| 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 | 25.3 | Very low | 28.9 | Very low | 246 Ų | 246 | 123 Ų | 123 | 100% | 1.212 | 73% | 0.725 | S | S | * | * | 0 | 72 | 0 | -77 | -174.4 | 177 | 0 | 0 | 108.1 | |||||
| 2 | E | 23.5 | Very low | 29.1 | Very low | 182 Ų | 182 | 120.2 Ų | 120.2 | 85% | 0.85 | 70% | 0.703 | S | S | * | * | trans | -66.9 | 156.4 | 164.7 | -68.9 | 171.7 | 140.2 | 0 | 0 | 109.2 | ||||
| 3 | T | 26.2 | Very low | 29 | Very low | 132 Ų | 132 | 119.3 Ų | 119.3 | 81% | 0.81 | 69% | 0.694 | S | S | * | * | trans | 90.5 | 132.9 | 175 | 66.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 4 | I | 28.8 | Very low | 29.3 | Very low | 168 Ų | 168 | 114.2 Ų | 114.2 | 86% | 0.862 | 67% | 0.668 | S | S | * | * | trans | 87.4 | 55.5 | 171 | -33.9 | 165.4 | 0 | 0 | 0 | 115.7 | ||||
| 5 | S | 31 | Very low | 29.3 | Very low | 115 Ų | 115 | 109.7 Ų | 109.7 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | trans | -113.2 | 103.3 | 140.9 | 61.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 6 | S | 27.4 | Very low | 29.2 | Very low | 77 Ų | 77 | 108.9 Ų | 108.9 | 54% | 0.538 | 63% | 0.634 | S | S | . | * | trans | -59.4 | 139 | 178.6 | 70.9 | 0 | 0 | 0 | 0 | 110.3 | D8 | S6-D8 PolarHBondContact O-N 3.44Å; S6-D8 VanDerWaalsContact O-N 3.17Å | ||
| 7 | P | 32.1 | Very low | 29.1 | Very low | 111 Ų | 111 | 110.9 Ų | 110.9 | 72% | 0.721 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -71.3 | -4 | -179.5 | -14.9 | 29.4 | 0 | 0 | 0 | 114.3 | V9 A10 | P7-V9 VanDerWaalsContact C-N 3.29Å; P7-V9 PolarHBondContact O-N 3.3Å; P7-A10 PolarHBondContact O-N 3.28Å |
| 8 | D | 31.2 | Very low | 29.4 | Very low | 115 Ų | 115 | 106.5 Ų | 106.5 | 62% | 0.615 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -77.7 | -8.9 | -167.2 | -73.1 | -33.8 | 0 | 0 | 0 | 114.5 | S6 | S6-D8 PolarHBondContact O-N 3.44Å; S6-D8 VanDerWaalsContact O-N 3.17Å |
| 9 | V | 32.2 | Very low | 29.7 | Very low | 101 Ų | 101 | 102.7 Ų | 102.7 | 61% | 0.612 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -81.1 | -18.4 | 174.7 | -169.7 | 0 | 0 | 0 | 0 | 112.5 | P7 G11 | P7-V9 VanDerWaalsContact C-N 3.29Å; P7-V9 PolarHBondContact O-N 3.3Å; V9-G11 PolarHBondContact O-N 3.23Å |
| 10 | A | 30.7 | Very low | 29.9 | Very low | 70 Ų | 70 | 104.1 Ų | 104.1 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68.6 | -20.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | P7 S14 | P7-A10 PolarHBondContact O-N 3.28Å; A10-S14 WeakPolarHBondContact O-CB 3.4Å; A10-S14 PolarHBondContact O-N 3.49Å; A10-S14 PolarHBondContact O-OG 3.3Å |
| 11 | G | 29.5 | Very low | 30.1 | Very low | 36 Ų | 36 | 104.5 Ų | 104.5 | 37% | 0.371 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -76 | -30.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V9 S14 T15 | V9-G11 PolarHBondContact O-N 3.23Å; G11-S14 PolarHBondContact O-OG 2.67Å; G11-S14 VanDerWaalsContact O-OG 3.07Å; G11-T15 PolarHBondContact O-N 3.45Å; G11-T15 PolarHBondContact O-OG1 3.49Å |
| 12 | L | 31.2 | Very low | 30.8 | Very low | 89 Ų | 89 | 94.7 Ų | 94.7 | 47% | 0.466 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -79.9 | -39.2 | 177.1 | -111.7 | 87.4 | 0 | 0 | 0 | 112 | S14 T15 L16 | L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 3.16Å; L12-T15 PolarHBondContact O-N 3.37Å; L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.3Å |
| 13 | D | 28.4 | Very low | 31.8 | Very low | 109 Ų | 109 | 87.9 Ų | 87.9 | 58% | 0.583 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.5 | -30.1 | 178.5 | -94.8 | -16.4 | 0 | 0 | 0 | 112.5 | K17 | D13-K17 WeakPolarHBondContact O-CB 3.42Å; D13-K17 PolarHBondContact O-N 3.06Å; D13-K17 VanDerWaalsContact O-N 3.09Å |
| 14 | S | 32.1 | Very low | 32.4 | Very low | 48 Ų | 48 | 81.9 Ų | 81.9 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.8 | -39.1 | 174.8 | 65.7 | 0 | 0 | 0 | 0 | 112.8 | A10 G11 L12 L16 K17 Y18 | A10-S14 WeakPolarHBondContact O-CB 3.4Å; A10-S14 PolarHBondContact O-N 3.49Å; A10-S14 PolarHBondContact O-OG 3.3Å; G11-S14 PolarHBondContact O-OG 2.67Å; G11-S14 VanDerWaalsContact O-OG 3.07Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 3.16Å; S14-L16 VanDerWaalsContact C-N 3.29Å; S14-L16 PolarHBondContact O-N 2.85Å; S14-K17 PolarHBondContact O-N 3.38Å; S14-K17 VanDerWaalsContact O-N 3.14Å; S14-Y18 PolarHBondContact O-N 3.42Å |
| 15 | T | 29.3 | Very low | 33 | Very low | 47 Ų | 47 | 77.9 Ų | 77.9 | 29% | 0.288 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 175.7 | -47.4 | 0 | 0 | 0 | 0 | 111.1 | G11 L12 | G11-T15 PolarHBondContact O-N 3.45Å; G11-T15 PolarHBondContact O-OG1 3.49Å; L12-T15 PolarHBondContact O-N 3.37Å |
| 16 | L | 28.7 | Very low | 33.8 | Very low | 96 Ų | 96 | 74.1 Ų | 74.1 | 50% | 0.503 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -74.1 | -26.7 | 174.4 | -71.7 | 167 | 0 | 0 | 0 | 113.4 | L12 S14 | L12-L16 WeakPolarHBondContact O-CG 3.49Å; L12-L16 PolarHBondContact O-N 3.3Å; S14-L16 VanDerWaalsContact C-N 3.29Å; S14-L16 PolarHBondContact O-N 2.85Å |
| 17 | K | 27.3 | Very low | 35.5 | Very low | 144 Ų | 144 | 72.6 Ų | 72.6 | 63% | 0.626 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -79.6 | -19.9 | 178.3 | -115.4 | 177.4 | 177 | 176.9 | 0 | 114.4 | D13 S14 R20 | D13-K17 WeakPolarHBondContact O-CB 3.42Å; D13-K17 PolarHBondContact O-N 3.06Å; D13-K17 VanDerWaalsContact O-N 3.09Å; S14-K17 PolarHBondContact O-N 3.38Å; S14-K17 VanDerWaalsContact O-N 3.14Å; K17-R20 WeakPolarHBondContact O-CB 3.5Å |
| 18 | Y | 34.5 | Very low | 37.6 | Very low | 31 Ų | 31 | 67.9 Ų | 67.9 | 12% | 0.122 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -95 | -35 | -172.2 | -170.5 | -91.3 | 0 | 0 | 0 | 114.8 | S14 R20 N21 Q367 H368 G405 K407 | S14-Y18 PolarHBondContact O-N 3.42Å; Y18-R20 PolarHBondContact O-N 3.24Å; Y18-R20 VanDerWaalsContact O-N 3.11Å; Y18-N21 PolarHBondContact O-N 3.42Å; Y18-Q367 PolarHBondContact OH-O 2.81Å; Y18-H368 WeakPolarHBondContact OH-CA 3.44Å; Y18-G405 VanDerWaalsContact CD1-O 3.23Å; Y18-G405 WeakPolarHBondContact CD1-O 3.49Å; Y18-G405 WeakPolarHBondContact CE1-O 3.38Å; Y18-K407 HydrophobicContact CE1-CG 4.46Å |
| 19 | E | 34.6 | Very low | 40.1 | Very low | 34 Ų | 34 | 62.7 Ų | 62.7 | 16% | 0.159 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -51 | -34.9 | 163.7 | -74.4 | -94.3 | 132.3 | 0 | 0 | 109.6 | N21 N24 A251 K407 | E19-N21 VanDerWaalsContact C-N 3.33Å; E19-N21 PolarHBondContact O-N 3.39Å; E19-N24 WeakPolarHBondContact O-CB 3.31Å; E19-N24 VanDerWaalsContact O-CG 3.26Å; E19-N24 PolarHBondContact O-N 3.03Å; E19-N24 PolarHBondContact O-ND2 2.86Å; E19-A251 VanDerWaalsContact OE2-O 3.14Å; E19-K407 IonicContact OE1-NZ 2.95Å; E19-K407 PolarHBondContact OE1-NZ 3.43Å |
| 20 | R | 33.8 | Very low | 42.5 | Very low | 130 Ų | 130 | 60.2 Ų | 60.2 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.2 | -14.2 | 168.2 | -97.2 | 179.4 | -171 | 173.6 | 7 | 118.3 | K17 Y18 N24 | K17-R20 WeakPolarHBondContact O-CB 3.5Å; Y18-R20 PolarHBondContact O-N 3.24Å; Y18-R20 VanDerWaalsContact O-N 3.11Å; R20-N24 CarbonylContact C-O 3.54Å; R20-N24 VanDerWaalsContact C-O 3.27Å; R20-N24 WeakPolarHBondContact CA-O 3.35Å; R20-N24 HydrophobicContact CG-CB 4.36Å; R20-N24 CarbonylContact O-C 3.29Å |
| 21 | N | 34 | Very low | 44.8 | Very low | 114 Ų | 114 | 60.2 Ų | 60.2 | 61% | 0.61 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -113.3 | -32 | -172.5 | -72 | -10.8 | 0 | 0 | 0 | 115 | Y18 E19 | Y18-N21 PolarHBondContact O-N 3.42Å; E19-N21 VanDerWaalsContact C-N 3.33Å; E19-N21 PolarHBondContact O-N 3.39Å |
| 22 | R | 39.9 | Very low | 47.4 | Very low | 39 Ų | 39 | 66.9 Ų | 66.9 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -97.6 | -40.8 | 179 | -153.6 | -177.3 | -170.8 | -166.1 | 1.9 | 114.1 | H368 E369 | R22-H368 VanDerWaalsContact CZ-CG 3.48Å; R22-H368 VanDerWaalsContact NE-CG 3.27Å; R22-H368 VanDerWaalsContact NH1-CB 3.29Å; R22-E369 IonicContact CZ-OE1 3.68Å; R22-E369 IonicContact NH1-OE1 3.83Å; R22-E369 PolarHBondContact NH1-OE1 3.32Å; R22-E369 IonicContact NH1-OE2 2.8Å; R22-E369 IonicContact NH2-OE1 3.82Å |
| 23 | Y | 44.7 | Very low | 50 | Low | 40 Ų | 40 | 64.3 Ų | 64.3 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -28.4 | -179.2 | -64 | -69.2 | 0 | 0 | 0 | 113.3 | L177 V180 L725 | Y23-L177 HydrophobicContact CD1-CD2 3.87Å; Y23-V180 HydrophobicContact CD1-CG1 3.9Å; Y23-V180 HydrophobicContact CE1-CG1 4.25Å; Y23-L725 HydrophobicContact CE1-CD1 3.82Å |
| 24 | N | 38.2 | Very low | 53 | Low | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.027 | 33% | 0.333 | C | S | . | . | trans | -106.3 | 52.4 | 178 | -53.4 | -13.4 | 0 | 0 | 0 | 110.2 | E19 R20 A26 I254 E255 | E19-N24 WeakPolarHBondContact O-CB 3.31Å; E19-N24 VanDerWaalsContact O-CG 3.26Å; E19-N24 PolarHBondContact O-N 3.03Å; E19-N24 PolarHBondContact O-ND2 2.86Å; R20-N24 CarbonylContact C-O 3.54Å; R20-N24 VanDerWaalsContact C-O 3.27Å; R20-N24 WeakPolarHBondContact CA-O 3.35Å; R20-N24 HydrophobicContact CG-CB 4.36Å; R20-N24 CarbonylContact O-C 3.29Å; N24-A26 VanDerWaalsContact C-N 3.25Å; N24-A26 PolarHBondContact O-N 2.96Å; N24-I254 WeakPolarHBondContact OD1-CA 3.21Å; N24-I254 WeakPolarHBondContact OD1-CB 3.31Å; N24-I254 WeakPolarHBondContact OD1-CG1 3.32Å; N24-I254 WeakPolarHBondContact OD1-CG2 3.23Å; N24-E255 PolarHBondContact ND2-N 2.83Å | ||
| 25 | N | 41.7 | Very low | 55.9 | Low | 84 Ų | 84 | 61.2 Ų | 61.2 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | trans | -44.5 | 113.7 | 145.4 | -109.1 | -11.5 | 0 | 0 | 0 | 104.1 | N27 | N25-N27 CarbonylContact O-C 3.54Å; N25-N27 PolarHBondContact O-N 3.43Å | ||
| 26 | A | 48.5 | Very low | 59 | Low | 37 Ų | 37 | 62.8 Ų | 62.8 | 31% | 0.306 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -53.2 | -17.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N24 S257 | N24-A26 VanDerWaalsContact C-N 3.25Å; N24-A26 PolarHBondContact O-N 2.96Å; A26-S257 WeakPolarHBondContact O-CB 3.16Å; A26-S257 PolarHBondContact O-N 3.09Å; A26-S257 PolarHBondContact O-OG 3.39Å |
| 27 | N | 63 | Low | 62.1 | Low | 44 Ų | 44 | 58.3 Ų | 58.3 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -100.6 | 126.1 | 178.6 | -50.9 | -37.8 | 0 | 0 | 0 | 110.3 | N25 F29 R160 | N25-N27 CarbonylContact O-C 3.54Å; N25-N27 PolarHBondContact O-N 3.43Å; N27-F29 WeakPolarHBondContact CB-O 3.19Å; N27-F29 PolarHBondContact O-N 3.08Å; N27-R160 PolarHBondContact OD1-NH2 3.47Å |
| 28 | V | 75.9 | Confident | 65.3 | Low | 13 Ų | 13 | 57.6 Ų | 57.6 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -60.8 | -29.6 | 169.4 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | L169 V174 F179 L256 | V28-L169 HydrophobicContact CB-CD2 4.45Å; V28-L169 HydrophobicContact CG1-CD2 3.79Å; V28-L169 HydrophobicContact CG2-CD1 4.29Å; V28-V174 HydrophobicContact CG1-CG1 3.36Å; V28-F179 VanDerWaalsContact O-CD2 3.27Å; V28-F179 WeakPolarHBondContact O-CD2 3.41Å; V28-L256 HydrophobicContact CG2-CD1 3.4Å; V28-L256 VanDerWaalsContact CG2-CD1 3.4Å; V28-L256 HydrophobicContact CG2-CD2 3.58Å; V28-L256 HydrophobicContact CG2-CG 4.08Å |
| 29 | F | 83.4 | Confident | 67.9 | Low | 5 Ų | 5 | 56.6 Ų | 56.6 | 2% | 0.022 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -108.4 | 155.6 | -179.3 | -63 | -79 | 0 | 0 | 0 | 110.9 | N27 I35 H86 R163 L169 L172 V174 F179 | N27-F29 WeakPolarHBondContact CB-O 3.19Å; N27-F29 PolarHBondContact O-N 3.08Å; F29-I35 HydrophobicContact CD1-CD1 3.3Å; F29-I35 HydrophobicContact CD1-CG1 4.26Å; F29-I35 HydrophobicContact CD2-CD1 4.43Å; F29-I35 HydrophobicContact CE1-CD1 3.31Å; F29-I35 HydrophobicContact CE1-CG1 4.49Å; F29-I35 HydrophobicContact CE2-CD1 4.46Å; F29-I35 HydrophobicContact CG-CD1 3.88Å; F29-I35 HydrophobicContact CZ-CD1 3.92Å; F29-H86 AromaticContact CD1-NE2 3.95Å; F29-R163 HydrophobicContact CD2-CG 3.89Å; F29-R163 HydrophobicContact CE2-CG 3.47Å; F29-R163 VanDerWaalsContact CE2-CG 3.47Å; F29-R163 HydrophobicContact CZ-CG 3.98Å; F29-L169 HydrophobicContact CE2-CD2 3.68Å; F29-L169 HydrophobicContact CZ-CD2 3.83Å; F29-L172 HydrophobicContact CZ-CD1 4.46Å; F29-V174 HydrophobicContact CE1-CB 4.43Å; F29-V174 HydrophobicContact CE1-CG1 3.86Å; F29-V174 HydrophobicContact CE1-CG2 4.08Å; F29-V174 HydrophobicContact CZ-CB 4.28Å; F29-V174 HydrophobicContact CZ-CG1 3.89Å; F29-V174 HydrophobicContact CZ-CG2 4.25Å; F29-F179 HydrophobicContact CD1-CD2 4.48Å; F29-F179 AromaticContact CD1-CE2 3.61Å; F29-F179 HydrophobicContact CD1-CE2 3.61Å; F29-F179 HydrophobicContact CD1-CZ 4.17Å; F29-F179 AromaticContact CE1-CE2 3.87Å; F29-F179 HydrophobicContact CE1-CE2 3.87Å; F29-F179 HydrophobicContact CE1-CZ 4.21Å |
| 30 | L | 82.3 | Confident | 69.9 | Low | 49 Ų | 49 | 57.4 Ų | 57.4 | 26% | 0.257 | 30% | 0.302 | S | S | . | . | trans | -58.7 | 135.4 | 173.9 | -60.2 | 173.9 | 0 | 0 | 0 | 110.1 | T33 H86 F89 | L30-T33 HydrophobicContact CB-CG2 4.43Å; L30-T33 WeakPolarHBondContact CB-OG1 3.35Å; L30-T33 HydrophobicContact CD1-CG2 4.4Å; L30-H86 WeakPolarHBondContact CB-NE2 3.31Å; L30-H86 PolarHBondContact N-NE2 3.49Å; L30-F89 HydrophobicContact CD1-CD2 4.35Å; L30-F89 HydrophobicContact CD1-CE2 4.14Å | ||
| 31 | P | 79.3 | Confident | 71.6 | Confident | 71 Ų | 71 | 55.8 Ų | 55.8 | 46% | 0.461 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | 142.4 | 178.6 | 26.6 | -33.1 | 0 | 0 | 0 | 110.2 | T33 | P31-T33 PolarHBondContact O-N 3.17Å; P31-T33 PolarHBondContact O-OG1 2.76Å; P31-T33 VanDerWaalsContact O-OG1 3.04Å |
| 32 | N | 83.6 | Confident | 73 | Confident | 175 Ų | 175 | 51.3 Ų | 51.3 | 94% | 0.936 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 17.9 | 174.8 | -53.2 | -26.5 | 0 | 0 | 0 | 115.6 | ||
| 33 | T | 87.7 | Confident | 73.8 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | trans | -107.3 | 124 | -178.9 | -54.7 | 0 | 0 | 0 | 0 | 109.2 | L30 P31 H86 G87 | L30-T33 HydrophobicContact CB-CG2 4.43Å; L30-T33 WeakPolarHBondContact CB-OG1 3.35Å; L30-T33 HydrophobicContact CD1-CG2 4.4Å; P31-T33 PolarHBondContact O-N 3.17Å; P31-T33 PolarHBondContact O-OG1 2.76Å; P31-T33 VanDerWaalsContact O-OG1 3.04Å; T33-H86 PolarHBondContact O-CE1 2.67Å; T33-H86 VanDerWaalsContact O-CE1 3.3Å; T33-G87 VanDerWaalsContact CG2-N 3.31Å | ||
| 34 | P | 91.1 | Very high | 74.2 | Confident | 88 Ų | 88 | 51.9 Ų | 51.9 | 57% | 0.571 | 29% | 0.288 | S | S | * | . | trans | -67.9 | 161 | 179.7 | 28.2 | -34.1 | 0 | 0 | 0 | 111.6 | H86 | P34-H86 PolarHBondContact O-ND1 2.85Š| ||
| 35 | I | 92.4 | Very high | 74.5 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 121.9 | 170.5 | -59.6 | 169.9 | 0 | 0 | 0 | 106.5 | F29 L84 K85 H86 Q154 I157 R163 | F29-I35 HydrophobicContact CD1-CD1 3.3Å; F29-I35 HydrophobicContact CD1-CG1 4.26Å; F29-I35 HydrophobicContact CD2-CD1 4.43Å; F29-I35 HydrophobicContact CE1-CD1 3.31Å; F29-I35 HydrophobicContact CE1-CG1 4.49Å; F29-I35 HydrophobicContact CE2-CD1 4.46Å; F29-I35 HydrophobicContact CG-CD1 3.88Å; F29-I35 HydrophobicContact CZ-CD1 3.92Å; I35-L84 HydrophobicContact CG2-CD2 4.03Å; I35-K85 CarbonylContact C-O 3.32Å; I35-K85 VanDerWaalsContact CA-O 3.3Å; I35-K85 WeakPolarHBondContact CA-O 3.3Å; I35-H86 HydrophobicContact CG1-CB 4.14Å; I35-H86 WeakPolarHBondContact CG1-ND1 3.49Å; I35-Q154 PolarHBondContact O-NE2 2.95Å; I35-Q154 PolarHBondContact O-OE1 2.95Å; I35-I157 HydrophobicContact CB-CG2 3.61Å; I35-I157 HydrophobicContact CD1-CG2 3.95Å; I35-I157 HydrophobicContact CG1-CG2 4.35Å; I35-I157 HydrophobicContact CG2-CD1 4.47Å; I35-I157 HydrophobicContact CG2-CG2 3.85Å; I35-R163 VanDerWaalsContact CD1-CD 3.43Å; I35-R163 HydrophobicContact CD1-CG 4.29Å |
| 36 | I | 94.2 | Very high | 74.5 | Confident | 81 Ų | 81 | 56.7 Ų | 56.7 | 42% | 0.415 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.6 | -177.6 | -58.2 | 167.9 | 0 | 0 | 0 | 107.4 | L84 K85 | I36-L84 CarbonylContact O-C 3.5Å; I36-L84 WeakPolarHBondContact O-CA 3.45Å; I36-K85 HydrophobicContact CB-CB 4.36Å; I36-K85 PolarHBondContact N-O 3.28Å; I36-K85 PolarHBondContact O-N 2.92Å |
| 37 | I | 94.6 | Very high | 74.1 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 141.2 | 172.8 | -165.4 | 172.9 | 0 | 0 | 0 | 110.8 | L82 R83 L84 E150 I153 Q154 | I37-L82 HydrophobicContact CD1-CB 4.17Å; I37-L82 HydrophobicContact CD1-CD1 4.38Å; I37-L82 HydrophobicContact CD1-CD2 4.3Å; I37-L82 HydrophobicContact CG1-CB 4.45Å; I37-R83 CarbonylContact C-O 3.6Å; I37-R83 WeakPolarHBondContact CA-O 3.28Å; I37-L84 HydrophobicContact CG1-CD2 4.43Å; I37-L84 HydrophobicContact CG1-CG 4.35Å; I37-E150 HydrophobicContact CG2-CG 4.04Å; I37-E150 WeakPolarHBondContact O-CG 3.46Å; I37-I153 HydrophobicContact CD1-CB 3.96Å; I37-I153 HydrophobicContact CD1-CD1 4.11Å; I37-I153 HydrophobicContact CD1-CG2 3.47Å; I37-I153 VanDerWaalsContact CD1-CG2 3.47Å; I37-Q154 HydrophobicContact CG2-CB 3.87Å |
| 38 | K | 93.2 | Very high | 73 | Confident | 128 Ų | 128 | 62.9 Ų | 62.9 | 56% | 0.557 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 127.7 | 168.7 | -71.3 | -171.3 | 175.6 | -175.7 | 0 | 110.3 | V40 R83 E150 | K38-V40 HydrophobicContact CB-CG2 4.19Å; K38-V40 PolarHBondContact O-N 3.3Å; K38-R83 HydrophobicContact CB-CB 4.43Å; K38-R83 PolarHBondContact N-O 2.86Å; K38-R83 PolarHBondContact O-N 2.95Å; K38-E150 VanDerWaalsContact CA-OE2 3.28Å; K38-E150 WeakPolarHBondContact CA-OE2 3.22Å |
| 39 | V | 89.6 | Confident | 71.1 | Confident | 11 Ų | 11 | 68.4 Ų | 68.4 | 7% | 0.067 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 97 | 176.2 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | Y80 L82 R146 L149 E150 | V39-Y80 HydrophobicContact CG1-CD1 3.75Å; V39-Y80 HydrophobicContact CG1-CG 4.48Å; V39-L82 HydrophobicContact CG1-CD2 4.45Å; V39-L82 HydrophobicContact CG2-CD2 3.82Å; V39-R146 HydrophobicContact CB-CB 4.46Å; V39-R146 HydrophobicContact CG1-CB 4.11Å; V39-R146 HydrophobicContact CG1-CG 3.91Å; V39-L149 HydrophobicContact CG1-CD2 4.44Å; V39-L149 HydrophobicContact CG2-CD2 4.43Å; V39-E150 HydrophobicContact CB-CB 4.35Å; V39-E150 HydrophobicContact CG2-CB 3.74Å; V39-E150 HydrophobicContact CG2-CG 4.29Å; V39-E150 PolarHBondContact N-OE2 3.35Å |
| 40 | V | 77.4 | Confident | 68.8 | Low | 51 Ų | 51 | 74.6 Ų | 74.6 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -51.9 | -164.6 | -179.9 | 0 | 0 | 0 | 0 | 112.9 | K38 E81 R83 R146 | K38-V40 HydrophobicContact CB-CG2 4.19Å; K38-V40 PolarHBondContact O-N 3.3Å; V40-E81 PolarHBondContact N-O 2.96Å; V40-R83 HydrophobicContact CB-CG 4.36Å; V40-R83 HydrophobicContact CG2-CB 4.08Å; V40-R83 HydrophobicContact CG2-CG 3.58Å; V40-R146 PolarHBondContact O-NH1 2.72Å |
| 41 | H | 68.6 | Low | 66.9 | Low | 95 Ų | 95 | 76.8 Ų | 76.8 | 44% | 0.44 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.3 | -173 | -154.3 | 76.5 | 0 | 0 | 0 | 111.3 | W79 Y80 E81 | H41-W79 HydrophobicContact CB-CZ3 4.38Å; H41-W79 AromaticContact CD2-CH2 3.54Å; H41-Y80 WeakPolarHBondContact O-CA 3.42Å; H41-E81 HydrophobicContact CB-CB 4.26Å; H41-E81 PolarHBondContact O-N 3.04Å |
| 42 | S | 62.9 | Low | 64.7 | Low | 20 Ų | 20 | 76.1 Ų | 76.1 | 14% | 0.14 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 117.1 | 168.4 | 57 | 0 | 0 | 0 | 0 | 108.6 | W79 | S42-W79 VanDerWaalsContact CA-O 3.3Å; S42-W79 WeakPolarHBondContact CA-O 3.38Å |
| 43 | C | 58 | Low | 62.2 | Low | 47 Ų | 47 | 73.3 Ų | 73.3 | 32% | 0.318 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 114 | 166.8 | -178.7 | 0 | 0 | 0 | 0 | 107 | S78 W79 | C43-S78 WeakPolarHBondContact O-CA 3.15Å; C43-W79 HydrophobicContact CB-CD2 4.26Å; C43-W79 VanDerWaalsContact CB-CE2 3.43Å; C43-W79 HydrophobicContact CB-CH2 4.34Å; C43-W79 HydrophobicContact CB-CZ2 3.49Å; C43-W79 VanDerWaalsContact CB-CZ2 3.49Å; C43-W79 PolarHBondContact N-O 2.93Å; C43-W79 PolarHBondContact O-N 3.31Å |
| 44 | E | 52.1 | Low | 59.5 | Low | 44 Ų | 44 | 79.7 Ų | 79.7 | 21% | 0.206 | 45% | 0.451 | C | S | . | . | trans | -98.4 | 96.1 | 163.5 | -62.5 | -161.8 | 168.9 | 0 | 0 | 105.9 | Q46 S78 L142 R145 | E44-Q46 PolarHBondContact O-N 3.45Å; E44-Q46 VanDerWaalsContact O-N 3.09Å; E44-S78 PolarHBondContact OE1-OG 3.44Å; E44-L142 HydrophobicContact CG-CD2 4.14Å; E44-L142 WeakPolarHBondContact OE1-CD2 3.17Å; E44-L142 WeakPolarHBondContact OE2-CD2 3.32Å; E44-R145 IonicContact OE1-NH1 3.34Å; E44-R145 PolarHBondContact OE1-NH1 3.33Å | ||
| 45 | S | 45.8 | Very low | 56.7 | Low | 41 Ų | 41 | 82.4 Ų | 82.4 | 29% | 0.287 | 47% | 0.466 | S | S | . | . | trans | -68.3 | 107.4 | 172.5 | 43.2 | 0 | 0 | 0 | 0 | 108.9 | I47 | S45-I47 PolarHBondContact O-N 3.02Š| ||
| 46 | Q | 41.9 | Very low | 53.5 | Low | 150 Ų | 150 | 90.5 Ų | 90.5 | 70% | 0.701 | 50% | 0.504 | S | S | * | . | trans | -76.2 | 96.5 | 159.5 | -70.4 | -175.1 | 0.3 | 0 | 0 | 107.2 | E44 I48 | E44-Q46 PolarHBondContact O-N 3.45Å; E44-Q46 VanDerWaalsContact O-N 3.09Å; Q46-I48 VanDerWaalsContact C-N 3.33Å; Q46-I48 HydrophobicContact CB-CG1 4.41Å; Q46-I48 PolarHBondContact O-N 2.78Å; Q46-I48 VanDerWaalsContact O-N 3.15Å | ||
| 47 | I | 39.7 | Very low | 50.4 | Low | 96 Ų | 96 | 92.2 Ų | 92.2 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | trans | -76.6 | 97.5 | 161 | -60.5 | 174 | 0 | 0 | 0 | 105.6 | S45 I49 | S45-I47 PolarHBondContact O-N 3.02Å; I47-I49 HydrophobicContact CG2-CG1 3.77Å; I47-I49 PolarHBondContact O-N 3.21Å | ||
| 48 | I | 39.5 | Very low | 47.2 | Very low | 114 Ų | 114 | 101.9 Ų | 101.9 | 59% | 0.585 | 57% | 0.565 | S | S | * | * | trans | -79.8 | 101.7 | 164 | -57 | 175.5 | 0 | 0 | 0 | 105.1 | Q46 D50 | Q46-I48 VanDerWaalsContact C-N 3.33Å; Q46-I48 HydrophobicContact CB-CG1 4.41Å; Q46-I48 PolarHBondContact O-N 2.78Å; Q46-I48 VanDerWaalsContact O-N 3.15Å; I48-D50 PolarHBondContact O-N 3.45Å | ||
| 49 | I | 35 | Very low | 44.1 | Very low | 130 Ų | 130 | 102.9 Ų | 102.9 | 67% | 0.667 | 58% | 0.581 | S | S | * | * | trans | -77 | 97.7 | 164.6 | -55.5 | 179.9 | 0 | 0 | 0 | 105.2 | I47 A51 | I47-I49 HydrophobicContact CG2-CG1 3.77Å; I47-I49 PolarHBondContact O-N 3.21Å; I49-A51 PolarHBondContact O-N 3.47Å | ||
| 50 | D | 36.7 | Very low | 41.3 | Very low | 135 Ų | 135 | 106.2 Ų | 106.2 | 72% | 0.722 | 62% | 0.618 | S | S | * | * | trans | -64.8 | 103.6 | 165.3 | -85.6 | -24.3 | 0 | 0 | 0 | 107.4 | I48 G52 | I48-D50 PolarHBondContact O-N 3.45Å; D50-G52 PolarHBondContact O-N 3.23Å | ||
| 51 | A | 41.5 | Very low | 38.9 | Very low | 95 Ų | 95 | 109.2 Ų | 109.2 | 79% | 0.785 | 64% | 0.641 | S | S | * | * | trans | -67.7 | 76.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | I49 | I49-A51 PolarHBondContact O-N 3.47Š| ||
| 52 | G | 32.8 | Very low | 37.1 | Very low | 56 Ų | 56 | 112.7 Ų | 112.7 | 58% | 0.577 | 66% | 0.662 | S | S | * | * | trans | -164 | 22.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D50 Q54 | D50-G52 PolarHBondContact O-N 3.23Å; G52-Q54 PolarHBondContact O-N 2.89Å | ||
| 53 | S | 32.2 | Very low | 35.4 | Very low | 117 Ų | 117 | 117 Ų | 117 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -78.9 | 100.2 | 156.9 | 58.1 | 0 | 0 | 0 | 0 | 107.9 | V55 | S53-V55 PolarHBondContact O-N 3.48Š|
| 54 | Q | 30.7 | Very low | 34 | Very low | 170 Ų | 170 | 117.8 Ų | 117.8 | 79% | 0.794 | 72% | 0.715 | S | S | * | * | trans | -34.9 | 122.5 | -177.4 | -58.9 | -168.7 | -6.5 | 0 | 0 | 115.4 | G52 | G52-Q54 PolarHBondContact O-N 2.89Š| ||
| 55 | V | 31.4 | Very low | 32.9 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | -116.2 | 122.1 | 143.3 | 177.6 | 0 | 0 | 0 | 0 | 106.6 | S53 | S53-V55 PolarHBondContact O-N 3.48Š| ||
| 56 | Q | 26.6 | Very low | 32 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | -68.3 | 129.1 | -175.1 | -63.1 | 169 | -9.3 | 0 | 0 | 111.1 | ||||
| 57 | S | 28.7 | Very low | 31.5 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -156.5 | 109.2 | 141.4 | 65.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 58 | K | 26.1 | Very low | 31.1 | Very low | 205 Ų | 205 | 133.9 Ų | 133.9 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -79.1 | 120 | 173.4 | -67.9 | 173.9 | 174.6 | 177.7 | 0 | 109 | ||||
| 59 | T | 29.2 | Very low | 30.8 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | trans | -176.5 | 135.7 | 144.4 | 36.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 60 | G | 30.4 | Very low | 30.7 | Very low | 81 Ų | 81 | 134.8 Ų | 134.8 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 103.1 | 99.1 | 150.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 61 | S | 27.4 | Very low | 30.4 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -44.4 | 133 | 158.6 | 169.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 62 | L | 30.6 | Very low | 29.8 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | trans | -175.4 | 137.4 | 132.9 | -105 | 140.5 | 0 | 0 | 0 | 111.5 | G64 | L62-G64 PolarHBondContact O-N 2.79Š| ||
| 63 | A | 27.6 | Very low | 29.9 | Very low | 110 Ų | 110 | 137 Ų | 137 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | -65.8 | 118.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 64 | G | 28.7 | Very low | 29.9 | Very low | 64 Ų | 64 | 138 Ų | 138 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | trans | -168.3 | 102 | 170 | 0 | 0 | 0 | 0 | 0 | 108.5 | L62 Q66 | L62-G64 PolarHBondContact O-N 2.79Å; G64-Q66 PolarHBondContact O-N 3.48Å | ||
| 65 | K | 29.2 | Very low | 30.2 | Very low | 227 Ų | 227 | 132.7 Ų | 132.7 | 99% | 0.987 | 78% | 0.782 | S | S | * | * | trans | -67.7 | 80 | 171.7 | -78.6 | 179.5 | 174.9 | 175.6 | 0 | 108.7 | ||||
| 66 | Q | 26.5 | Very low | 30.8 | Very low | 169 Ų | 169 | 129.9 Ų | 129.9 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | trans | -123.9 | 98.6 | 166.2 | -128.2 | 175.2 | 3.1 | 0 | 0 | 106 | G64 | G64-Q66 PolarHBondContact O-N 3.48Š| ||
| 67 | L | 31.6 | Very low | 32.1 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 88% | 0.88 | 75% | 0.746 | S | S | * | * | trans | -57.4 | 128.2 | 168.4 | -82.6 | 153.6 | 0 | 0 | 0 | 107.4 | H69 | L67-H69 PolarHBondContact O-N 3.27Š| ||
| 68 | P | 31.4 | Very low | 34 | Very low | 106 Ų | 106 | 121 Ų | 121 | 69% | 0.688 | 71% | 0.707 | S | S | * | * | trans | -62.9 | 134 | -167.4 | 22.9 | -32 | 0 | 0 | 0 | 111.1 | G70 | P68-G70 PolarHBondContact O-N 2.79Š| ||
| 69 | H | 33.4 | Very low | 36.3 | Very low | 192 Ų | 192 | 115.4 Ų | 115.4 | 89% | 0.889 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -42.6 | 121.8 | 165.6 | -76.8 | -47.4 | 0 | 0 | 0 | 111.1 | L67 | L67-H69 PolarHBondContact O-N 3.27Š|
| 70 | G | 32.7 | Very low | 39.1 | Very low | 71 Ų | 71 | 108.3 Ų | 108.3 | 73% | 0.732 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.7 | 1.2 | 157 | 0 | 0 | 0 | 0 | 0 | 117.8 | P68 L72 | P68-G70 PolarHBondContact O-N 2.79Å; G70-L72 PolarHBondContact O-N 3.43Å |
| 71 | S | 29 | Very low | 41.9 | Very low | 86 Ų | 86 | 105.5 Ų | 105.5 | 60% | 0.601 | 60% | 0.602 | S | S | * | * | trans | -71.8 | 84.3 | 167.5 | -57 | 0 | 0 | 0 | 0 | 109.8 | V73 | S71-V73 VanDerWaalsContact C-N 3.35Å; S71-V73 PolarHBondContact O-N 3.29Å | ||
| 72 | L | 30.8 | Very low | 45 | Very low | 134 Ų | 134 | 100 Ų | 100 | 70% | 0.702 | 56% | 0.564 | S | S | * | * | trans | -79.1 | 86.3 | 177.9 | -139.9 | 146.6 | 0 | 0 | 0 | 108.3 | G70 L74 | G70-L72 PolarHBondContact O-N 3.43Å; L72-L74 VanDerWaalsContact C-N 3.28Å; L72-L74 HydrophobicContact CD2-CB 3.85Å; L72-L74 HydrophobicContact CD2-CD1 3.21Å; L72-L74 HydrophobicContact CD2-CG 3.4Å; L72-L74 PolarHBondContact O-N 2.99Å | ||
| 73 | V | 33.5 | Very low | 48 | Very low | 112 Ų | 112 | 97.7 Ų | 97.7 | 68% | 0.679 | 54% | 0.544 | S | S | * | . | trans | -73.1 | 84 | 172.2 | -176.2 | 0 | 0 | 0 | 0 | 108.2 | S71 | S71-V73 VanDerWaalsContact C-N 3.35Å; S71-V73 PolarHBondContact O-N 3.29Å | ||
| 74 | L | 32.2 | Very low | 51.1 | Low | 138 Ų | 138 | 92.7 Ų | 92.7 | 72% | 0.723 | 50% | 0.501 | S | S | * | . | trans | -123.4 | 78.8 | 171.7 | -82.8 | -176.8 | 0 | 0 | 0 | 110.7 | L72 | L72-L74 VanDerWaalsContact C-N 3.28Å; L72-L74 HydrophobicContact CD2-CB 3.85Å; L72-L74 HydrophobicContact CD2-CD1 3.21Å; L72-L74 HydrophobicContact CD2-CG 3.4Å; L72-L74 PolarHBondContact O-N 2.99Å | ||
| 75 | T | 38.3 | Very low | 54.2 | Low | 59 Ų | 59 | 93.9 Ų | 93.9 | 36% | 0.362 | 49% | 0.488 | S | S | . | . | trans | -154.9 | 87.5 | 141.1 | 53.6 | 0 | 0 | 0 | 0 | 109.4 | Q77 | T75-Q77 PolarHBondContact O-N 2.97Š| ||
| 76 | N | 43.8 | Very low | 57.1 | Low | 85 Ų | 85 | 83 Ų | 83 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | trans | -77.9 | 69 | 161.1 | -152.9 | -0.8 | 0 | 0 | 0 | 108.1 | S78 | N76-S78 PolarHBondContact O-N 2.87Å; N76-S78 PolarHBondContact OD1-OG 3.46Å | ||
| 77 | Q | 53.6 | Low | 59.9 | Low | 102 Ų | 102 | 76.5 Ų | 76.5 | 48% | 0.477 | 42% | 0.419 | S | S | . | . | trans | -79.4 | 58.6 | 170.7 | -75.2 | -167.9 | -2.5 | 0 | 0 | 109.4 | T75 W79 | T75-Q77 PolarHBondContact O-N 2.97Å; Q77-W79 PolarHBondContact O-N 3.41Å | ||
| 78 | S | 67.4 | Low | 62.4 | Low | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.007 | 40% | 0.401 | C | S | . | . | trans | -66.1 | 117.1 | 168.5 | -25 | 0 | 0 | 0 | 0 | 108.2 | C43 E44 N76 T96 L97 | C43-S78 WeakPolarHBondContact O-CA 3.15Å; E44-S78 PolarHBondContact OE1-OG 3.44Å; N76-S78 PolarHBondContact O-N 2.87Å; N76-S78 PolarHBondContact OD1-OG 3.46Å; S78-T96 CarbonylContact O-C 3.41Å; S78-T96 WeakPolarHBondContact O-CA 3.4Å; S78-L97 PolarHBondContact O-N 3.28Å | ||
| 79 | W | 75.9 | Confident | 65.1 | Low | 88 Ų | 88 | 68.9 Ų | 68.9 | 33% | 0.333 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 147.8 | 168.6 | 61.2 | -96.8 | 0 | 0 | 0 | 111 | H41 S42 C43 Q77 E81 F94 R95 | H41-W79 HydrophobicContact CB-CZ3 4.38Å; H41-W79 AromaticContact CD2-CH2 3.54Å; S42-W79 VanDerWaalsContact CA-O 3.3Å; S42-W79 WeakPolarHBondContact CA-O 3.38Å; C43-W79 HydrophobicContact CB-CD2 4.26Å; C43-W79 VanDerWaalsContact CB-CE2 3.43Å; C43-W79 HydrophobicContact CB-CH2 4.34Å; C43-W79 HydrophobicContact CB-CZ2 3.49Å; C43-W79 VanDerWaalsContact CB-CZ2 3.49Å; C43-W79 PolarHBondContact N-O 2.93Å; C43-W79 PolarHBondContact O-N 3.31Å; Q77-W79 PolarHBondContact O-N 3.41Å; W79-E81 HydrophobicContact CZ3-CB 4.36Å; W79-F94 AromaticContact CE3-CD1 3.74Å; W79-F94 HydrophobicContact CE3-CD1 3.74Å; W79-F94 HydrophobicContact CE3-CE1 4.19Å; W79-F94 HydrophobicContact CH2-CE1 4.37Å; W79-F94 AromaticContact CZ3-CD1 3.73Å; W79-F94 HydrophobicContact CZ3-CD1 3.73Å; W79-F94 AromaticContact CZ3-CE1 3.68Å; W79-F94 HydrophobicContact CZ3-CE1 3.68Å; W79-R95 CarbonylContact C-O 3.54Å; W79-R95 WeakPolarHBondContact CA-O 3.39Å |
| 80 | Y | 86.9 | Confident | 67.7 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133.8 | -179.2 | -65.7 | -86 | 0 | 0 | 0 | 110.4 | V39 H41 F94 R95 L97 L100 R145 R146 L149 | V39-Y80 HydrophobicContact CG1-CD1 3.75Å; V39-Y80 HydrophobicContact CG1-CG 4.48Å; H41-Y80 WeakPolarHBondContact O-CA 3.42Å; Y80-F94 WeakPolarHBondContact O-CA 3.49Å; Y80-R95 PolarHBondContact N-O 3.06Å; Y80-R95 PolarHBondContact O-N 2.62Å; Y80-L97 HydrophobicContact CE2-CB 4.08Å; Y80-L97 HydrophobicContact CE2-CD1 4.05Å; Y80-L100 HydrophobicContact CD2-CD1 3.46Å; Y80-L100 VanDerWaalsContact CD2-CD1 3.46Å; Y80-L100 HydrophobicContact CE2-CD1 4.03Å; Y80-L100 HydrophobicContact CG-CD1 4.1Å; Y80-R145 WeakPolarHBondContact OH-CD 3.24Å; Y80-R146 HydrophobicContact CD1-CG 4.26Å; Y80-R146 HydrophobicContact CE1-CG 3.95Å; Y80-L149 HydrophobicContact CD1-CD2 4.07Å; Y80-L149 HydrophobicContact CD2-CD2 4.31Å; Y80-L149 HydrophobicContact CE1-CD2 4.36Å; Y80-L149 HydrophobicContact CG-CD2 4.05Å |
| 81 | E | 89.5 | Confident | 70.5 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 10% | 0.098 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 112.3 | 166 | -172.6 | -171.9 | 176.9 | 0 | 0 | 109.7 | V40 H41 W79 R83 S92 F94 | V40-E81 PolarHBondContact N-O 2.96Å; H41-E81 HydrophobicContact CB-CB 4.26Å; H41-E81 PolarHBondContact O-N 3.04Å; W79-E81 HydrophobicContact CZ3-CB 4.36Å; E81-R83 HydrophobicContact CG-CG 4.23Å; E81-R83 IonicContact OE1-CZ 3.74Å; E81-R83 IonicContact OE1-NE 2.77Å; E81-R83 PolarHBondContact OE1-NE 3.06Å; E81-R83 IonicContact OE1-NH2 2.93Å; E81-R83 PolarHBondContact OE1-NH2 3.15Å; E81-R83 IonicContact OE2-CZ 3.98Å; E81-R83 IonicContact OE2-NE 2.77Å; E81-R83 IonicContact OE2-NH2 3.98Å; E81-R83 PolarHBondContact OE2-NH2 2.79Å; E81-R83 VanDerWaalsContact OE2-NH2 3.13Å; E81-S92 WeakPolarHBondContact OE1-CB 3.47Å; E81-S92 PolarHBondContact OE1-OG 3.33Å; E81-F94 HydrophobicContact CB-CD1 4.15Å; E81-F94 HydrophobicContact CB-CE1 3.77Å; E81-F94 HydrophobicContact CB-CZ 4.38Å; E81-F94 HydrophobicContact CG-CD1 4.36Å; E81-F94 HydrophobicContact CG-CE1 3.73Å; E81-F94 HydrophobicContact CG-CZ 3.82Å |
| 82 | L | 92.8 | Very high | 73.5 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 104.3 | 173.2 | -49.1 | -178.4 | 0 | 0 | 0 | 108.6 | I37 V39 L84 S92 V93 R95 I153 L171 | I37-L82 HydrophobicContact CD1-CB 4.17Å; I37-L82 HydrophobicContact CD1-CD1 4.38Å; I37-L82 HydrophobicContact CD1-CD2 4.3Å; I37-L82 HydrophobicContact CG1-CB 4.45Å; V39-L82 HydrophobicContact CG1-CD2 4.45Å; V39-L82 HydrophobicContact CG2-CD2 3.82Å; L82-L84 HydrophobicContact CB-CD1 4.3Å; L82-S92 CarbonylContact O-C 3.5Å; L82-S92 WeakPolarHBondContact O-CA 3.38Å; L82-V93 HydrophobicContact CB-CB 4.35Å; L82-V93 WeakPolarHBondContact CB-O 3.2Å; L82-V93 PolarHBondContact N-O 3.04Å; L82-V93 PolarHBondContact O-N 2.82Å; L82-R95 HydrophobicContact CD1-CG 4.09Å; L82-I153 HydrophobicContact CD1-CD1 4.26Å; L82-I153 HydrophobicContact CD2-CD1 4.27Å; L82-L171 HydrophobicContact CD1-CD1 4.46Å |
| 83 | R | 92.9 | Very high | 76.3 | Confident | 119 Ų | 119 | 54.2 Ų | 54.2 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.7 | 172.2 | -64.1 | -157.9 | -172.8 | 151.2 | 6 | 109.9 | I37 K38 V40 E81 S92 | I37-R83 CarbonylContact C-O 3.6Å; I37-R83 WeakPolarHBondContact CA-O 3.28Å; K38-R83 HydrophobicContact CB-CB 4.43Å; K38-R83 PolarHBondContact N-O 2.86Å; K38-R83 PolarHBondContact O-N 2.95Å; V40-R83 HydrophobicContact CB-CG 4.36Å; V40-R83 HydrophobicContact CG2-CB 4.08Å; V40-R83 HydrophobicContact CG2-CG 3.58Å; E81-R83 HydrophobicContact CG-CG 4.23Å; E81-R83 IonicContact OE1-CZ 3.74Å; E81-R83 IonicContact OE1-NE 2.77Å; E81-R83 PolarHBondContact OE1-NE 3.06Å; E81-R83 IonicContact OE1-NH2 2.93Å; E81-R83 PolarHBondContact OE1-NH2 3.15Å; E81-R83 IonicContact OE2-CZ 3.98Å; E81-R83 IonicContact OE2-NE 2.77Å; E81-R83 IonicContact OE2-NH2 3.98Å; E81-R83 PolarHBondContact OE2-NH2 2.79Å; E81-R83 VanDerWaalsContact OE2-NH2 3.13Å; R83-S92 WeakPolarHBondContact CG-OG 3.42Å |
| 84 | L | 94.2 | Very high | 78.9 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 140.8 | -177.5 | -69.3 | 119.1 | 0 | 0 | 0 | 110.1 | I35 I36 I37 L82 E90 W91 V93 I157 L172 | I35-L84 HydrophobicContact CG2-CD2 4.03Å; I36-L84 CarbonylContact O-C 3.5Å; I36-L84 WeakPolarHBondContact O-CA 3.45Å; I37-L84 HydrophobicContact CG1-CD2 4.43Å; I37-L84 HydrophobicContact CG1-CG 4.35Å; L82-L84 HydrophobicContact CB-CD1 4.3Å; L84-E90 VanDerWaalsContact O-CA 3.26Å; L84-E90 WeakPolarHBondContact O-CA 3.47Å; L84-W91 HydrophobicContact CB-CD2 3.72Å; L84-W91 HydrophobicContact CB-CE3 3.86Å; L84-W91 HydrophobicContact CB-CG 4.49Å; L84-W91 HydrophobicContact CB-CH2 3.74Å; L84-W91 HydrophobicContact CB-CZ2 3.58Å; L84-W91 HydrophobicContact CB-CZ3 3.88Å; L84-W91 HydrophobicContact CD1-CD2 4.49Å; L84-W91 HydrophobicContact CD1-CZ2 4.09Å; L84-W91 HydrophobicContact CD2-CH2 4.42Å; L84-W91 HydrophobicContact CD2-CZ2 3.99Å; L84-W91 HydrophobicContact CG-CZ2 4.08Å; L84-W91 PolarHBondContact N-O 3.03Å; L84-W91 PolarHBondContact O-N 3.18Å; L84-V93 HydrophobicContact CD1-CB 4.3Å; L84-V93 HydrophobicContact CD1-CG2 3.74Å; L84-I157 HydrophobicContact CD2-CD1 4.4Å; L84-L172 HydrophobicContact CD1-CD2 4.39Å; L84-L172 HydrophobicContact CD2-CD1 4.22Å; L84-L172 HydrophobicContact CD2-CD2 3.65Å; L84-L172 HydrophobicContact CD2-CG 4.36Å |
| 85 | K | 92.3 | Very high | 81.6 | Confident | 89 Ų | 89 | 45.9 Ų | 45.9 | 39% | 0.387 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 129.3 | 172.2 | -177.7 | 173.8 | -170.3 | 136.3 | 0 | 110.2 | I35 I36 F89 E90 | I35-K85 CarbonylContact C-O 3.32Å; I35-K85 VanDerWaalsContact CA-O 3.3Å; I35-K85 WeakPolarHBondContact CA-O 3.3Å; I36-K85 HydrophobicContact CB-CB 4.36Å; I36-K85 PolarHBondContact N-O 3.28Å; I36-K85 PolarHBondContact O-N 2.92Å; K85-F89 CarbonylContact C-O 3.56Å; K85-F89 VanDerWaalsContact CA-O 3.28Å; K85-F89 WeakPolarHBondContact CA-O 3.37Å; K85-E90 HydrophobicContact CB-CG 4.08Å; K85-E90 HydrophobicContact CD-CG 4.3Å; K85-E90 WeakPolarHBondContact CD-OE1 3.41Å; K85-E90 WeakPolarHBondContact CE-OE1 3.39Å; K85-E90 HydrophobicContact CG-CG 3.89Å; K85-E90 IonicContact NZ-OE1 2.91Å; K85-E90 PolarHBondContact NZ-OE1 3.45Å |
| 86 | H | 90.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 102.3 | 176.7 | -177.7 | 49.2 | 0 | 0 | 0 | 110.1 | F29 L30 T33 P34 I35 D88 F89 W91 F179 | F29-H86 AromaticContact CD1-NE2 3.95Å; L30-H86 WeakPolarHBondContact CB-NE2 3.31Å; L30-H86 PolarHBondContact N-NE2 3.49Å; T33-H86 PolarHBondContact O-CE1 2.67Å; T33-H86 VanDerWaalsContact O-CE1 3.3Å; P34-H86 PolarHBondContact O-ND1 2.85Å; I35-H86 HydrophobicContact CG1-CB 4.14Å; I35-H86 WeakPolarHBondContact CG1-ND1 3.49Å; H86-D88 PolarHBondContact O-N 3.13Å; H86-F89 PolarHBondContact N-O 3.08Å; H86-F89 WeakPolarHBondContact O-CB 3.19Å; H86-F89 WeakPolarHBondContact O-CD2 3.29Å; H86-F89 PolarHBondContact O-N 3.28Å; H86-W91 HydrophobicContact CB-CH2 4.23Å; H86-W91 HydrophobicContact CB-CZ3 3.95Å; H86-F179 HydrophobicContact CB-CE1 4.42Å; H86-F179 AromaticContact CD2-CE1 3.88Å; H86-F179 AromaticContact CD2-CE2 3.99Å; H86-F179 AromaticContact CD2-CZ 3.83Å |
| 87 | G | 85.7 | Confident | 85.6 | Confident | 31 Ų | 31 | 41.7 Ų | 41.7 | 32% | 0.32 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -121.7 | -168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | T33 | T33-G87 VanDerWaalsContact CG2-N 3.31Š|
| 88 | D | 83.2 | Confident | 87 | Confident | 93 Ų | 93 | 40.2 Ų | 40.2 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -12.4 | 177.7 | -87.3 | 8.6 | 0 | 0 | 0 | 114.1 | H86 R185 | H86-D88 PolarHBondContact O-N 3.13Å; D88-R185 HydrophobicContact CB-CB 4.47Å; D88-R185 HydrophobicContact CB-CG 3.83Å; D88-R185 WeakPolarHBondContact O-CB 3.34Å; D88-R185 WeakPolarHBondContact O-CD 3.17Å; D88-R185 IonicContact OD1-CZ 3.59Å; D88-R185 IonicContact OD1-NE 3.43Å; D88-R185 IonicContact OD1-NH2 3.61Å; D88-R185 PolarHBondContact OD1-NH2 3.18Å; D88-R185 IonicContact OD2-CZ 3.77Å; D88-R185 IonicContact OD2-NE 3.08Å; D88-R185 PolarHBondContact OD2-NE 3.14Å; D88-R185 IonicContact OD2-NH2 2.82Å; D88-R185 PolarHBondContact OD2-NH2 2.93Å |
| 89 | F | 87.9 | Confident | 88 | Confident | 21 Ų | 21 | 43.5 Ų | 43.5 | 9% | 0.092 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 131.5 | -174.7 | -61.5 | -85.9 | 0 | 0 | 0 | 111.8 | L30 K85 H86 W91 F179 C182 K187 | L30-F89 HydrophobicContact CD1-CD2 4.35Å; L30-F89 HydrophobicContact CD1-CE2 4.14Å; K85-F89 CarbonylContact C-O 3.56Å; K85-F89 VanDerWaalsContact CA-O 3.28Å; K85-F89 WeakPolarHBondContact CA-O 3.37Å; H86-F89 PolarHBondContact N-O 3.08Å; H86-F89 WeakPolarHBondContact O-CB 3.19Å; H86-F89 WeakPolarHBondContact O-CD2 3.29Å; H86-F89 PolarHBondContact O-N 3.28Å; F89-W91 HydrophobicContact CB-CZ3 4.47Å; F89-F179 HydrophobicContact CB-CD1 4.16Å; F89-F179 HydrophobicContact CB-CE1 4.09Å; F89-F179 HydrophobicContact CD1-CD1 4.11Å; F89-F179 AromaticContact CD2-CD1 3.71Å; F89-F179 HydrophobicContact CD2-CD1 3.71Å; F89-F179 HydrophobicContact CD2-CE1 4.41Å; F89-F179 HydrophobicContact CE1-CD1 4.47Å; F89-F179 HydrophobicContact CE2-CB 4.23Å; F89-F179 HydrophobicContact CE2-CD1 4.11Å; F89-F179 AromaticContact CG-CD1 3.71Å; F89-F179 HydrophobicContact CG-CD1 3.71Å; F89-F179 HydrophobicContact CG-CE1 4.17Å; F89-F179 HydrophobicContact CZ-CB 4.38Å; F89-F179 HydrophobicContact CZ-CD1 4.47Å; F89-C182 HydrophobicContact CE1-CB 4.22Å; F89-K187 HydrophobicContact CD1-CB 4.22Å |
| 90 | E | 89.5 | Confident | 88.7 | Confident | 118 Ų | 118 | 39.3 Ų | 39.3 | 55% | 0.551 | 21% | 0.206 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.4 | 171.8 | -67.5 | -174.8 | -178.1 | 0 | 0 | 110.8 | L84 K85 | L84-E90 VanDerWaalsContact O-CA 3.26Å; L84-E90 WeakPolarHBondContact O-CA 3.47Å; K85-E90 HydrophobicContact CB-CG 4.08Å; K85-E90 HydrophobicContact CD-CG 4.3Å; K85-E90 WeakPolarHBondContact CD-OE1 3.41Å; K85-E90 WeakPolarHBondContact CE-OE1 3.39Å; K85-E90 HydrophobicContact CG-CG 3.89Å; K85-E90 IonicContact NZ-OE1 2.91Å; K85-E90 PolarHBondContact NZ-OE1 3.45Å |
| 91 | W | 91.4 | Very high | 88.8 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 6% | 0.057 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 155.7 | 176 | 74.3 | 101.8 | 0 | 0 | 0 | 112.1 | L84 H86 F89 V93 L172 V174 F179 K187 | L84-W91 HydrophobicContact CB-CD2 3.72Å; L84-W91 HydrophobicContact CB-CE3 3.86Å; L84-W91 HydrophobicContact CB-CG 4.49Å; L84-W91 HydrophobicContact CB-CH2 3.74Å; L84-W91 HydrophobicContact CB-CZ2 3.58Å; L84-W91 HydrophobicContact CB-CZ3 3.88Å; L84-W91 HydrophobicContact CD1-CD2 4.49Å; L84-W91 HydrophobicContact CD1-CZ2 4.09Å; L84-W91 HydrophobicContact CD2-CH2 4.42Å; L84-W91 HydrophobicContact CD2-CZ2 3.99Å; L84-W91 HydrophobicContact CG-CZ2 4.08Å; L84-W91 PolarHBondContact N-O 3.03Å; L84-W91 PolarHBondContact O-N 3.18Å; H86-W91 HydrophobicContact CB-CH2 4.23Å; H86-W91 HydrophobicContact CB-CZ3 3.95Å; F89-W91 HydrophobicContact CB-CZ3 4.47Å; W91-V93 VanDerWaalsContact CD1-CG2 3.48Å; W91-L172 PolarHBondContact NE1-O 2.84Å; W91-V174 HydrophobicContact CZ2-CG2 3.84Å; W91-F179 HydrophobicContact CH2-CE1 4.03Å; W91-F179 AromaticContact CH2-CZ 3.73Å; W91-F179 HydrophobicContact CH2-CZ 3.73Å; W91-F179 HydrophobicContact CZ2-CZ 4.42Å; W91-F179 AromaticContact CZ3-CE1 3.88Å; W91-F179 HydrophobicContact CZ3-CE1 3.88Å; W91-F179 HydrophobicContact CZ3-CZ 4.08Å; W91-K187 HydrophobicContact CB-CD 4.36Å; W91-K187 HydrophobicContact CB-CG 4.39Å; W91-K187 HydrophobicContact CD2-CD 3.43Å; W91-K187 VanDerWaalsContact CD2-CD 3.43Å; W91-K187 HydrophobicContact CD2-CG 4.37Å; W91-K187 HydrophobicContact CE3-CD 3.57Å; W91-K187 HydrophobicContact CG-CD 3.8Å; W91-K187 HydrophobicContact CG-CG 4.31Å; W91-K187 HydrophobicContact CH2-CD 4.26Å; W91-K187 HydrophobicContact CZ2-CD 4.14Å; W91-K187 HydrophobicContact CZ3-CD 3.99Å |
| 92 | S | 90.5 | Very high | 88.8 | Confident | 43 Ų | 43 | 45 Ų | 45 | 30% | 0.301 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 143.6 | 174.7 | -62.6 | 0 | 0 | 0 | 0 | 111.1 | E81 L82 R83 | E81-S92 WeakPolarHBondContact OE1-CB 3.47Å; E81-S92 PolarHBondContact OE1-OG 3.33Å; L82-S92 CarbonylContact O-C 3.5Å; L82-S92 WeakPolarHBondContact O-CA 3.38Å; R83-S92 WeakPolarHBondContact CG-OG 3.42Å |
| 93 | V | 91.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 130.9 | 173.5 | -178.3 | 0 | 0 | 0 | 0 | 109.3 | L82 L84 W91 R95 L171 E173 | L82-V93 HydrophobicContact CB-CB 4.35Å; L82-V93 WeakPolarHBondContact CB-O 3.2Å; L82-V93 PolarHBondContact N-O 3.04Å; L82-V93 PolarHBondContact O-N 2.82Å; L84-V93 HydrophobicContact CD1-CB 4.3Å; L84-V93 HydrophobicContact CD1-CG2 3.74Å; W91-V93 VanDerWaalsContact CD1-CG2 3.48Å; V93-R95 HydrophobicContact CG1-CG 4.17Å; V93-L171 WeakPolarHBondContact CG1-O 3.5Å; V93-E173 HydrophobicContact CG1-CG 3.91Å; V93-E173 HydrophobicContact CG2-CB 4.27Å; V93-E173 HydrophobicContact CG2-CG 4.15Å |
| 94 | F | 88.1 | Confident | 88.9 | Confident | 61 Ų | 61 | 42.4 Ų | 42.4 | 27% | 0.268 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.4 | 178.7 | -63.9 | -92.3 | 0 | 0 | 0 | 110.8 | W79 Y80 E81 R308 E311 | W79-F94 AromaticContact CE3-CD1 3.74Å; W79-F94 HydrophobicContact CE3-CD1 3.74Å; W79-F94 HydrophobicContact CE3-CE1 4.19Å; W79-F94 HydrophobicContact CH2-CE1 4.37Å; W79-F94 AromaticContact CZ3-CD1 3.73Å; W79-F94 HydrophobicContact CZ3-CD1 3.73Å; W79-F94 AromaticContact CZ3-CE1 3.68Å; W79-F94 HydrophobicContact CZ3-CE1 3.68Å; Y80-F94 WeakPolarHBondContact O-CA 3.49Å; E81-F94 HydrophobicContact CB-CD1 4.15Å; E81-F94 HydrophobicContact CB-CE1 3.77Å; E81-F94 HydrophobicContact CB-CZ 4.38Å; E81-F94 HydrophobicContact CG-CD1 4.36Å; E81-F94 HydrophobicContact CG-CE1 3.73Å; E81-F94 HydrophobicContact CG-CZ 3.82Å; F94-R308 PolarHBondContact O-NH1 2.91Å; F94-R308 PolarHBondContact O-NH2 3.35Å; F94-R308 VanDerWaalsContact O-NH2 3.16Å; F94-E311 WeakPolarHBondContact CD2-OE1 3.39Å |
| 95 | R | 88.5 | Confident | 88.7 | Confident | 14 Ų | 14 | 46.2 Ų | 46.2 | 5% | 0.053 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 136.6 | 179.8 | -65.7 | -67.1 | 177.8 | -96.3 | 11 | 111.6 | W79 Y80 L82 V93 E99 L100 R170 L171 E173 R308 | W79-R95 CarbonylContact C-O 3.54Å; W79-R95 WeakPolarHBondContact CA-O 3.39Å; Y80-R95 PolarHBondContact N-O 3.06Å; Y80-R95 PolarHBondContact O-N 2.62Å; L82-R95 HydrophobicContact CD1-CG 4.09Å; V93-R95 HydrophobicContact CG1-CG 4.17Å; R95-E99 WeakPolarHBondContact CA-OE2 3.5Å; R95-L100 HydrophobicContact CB-CD2 4.06Å; R95-L100 HydrophobicContact CB-CG 4.04Å; R95-R170 PolarHBondContact NH2-O 2.77Å; R95-L171 HydrophobicContact CG-CD1 3.95Å; R95-L171 PolarHBondContact NE-O 3.21Å; R95-L171 PolarHBondContact NH2-O 3.34Å; R95-E173 IonicContact CZ-OE1 2.73Å; R95-E173 IonicContact NH1-OE1 3.59Å; R95-E173 PolarHBondContact NH1-OE1 2.66Å; R95-E173 IonicContact NH2-OE1 3.76Å; R95-E173 PolarHBondContact NH2-OE1 2.97Å; R95-R308 VanDerWaalsContact NH1-NH2 3.12Å |
| 96 | T | 84.6 | Confident | 88.6 | Confident | 42 Ų | 42 | 44 Ų | 44 | 26% | 0.258 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 158.2 | 173 | 69 | 0 | 0 | 0 | 0 | 111.1 | S78 A98 E99 L100 | S78-T96 CarbonylContact O-C 3.41Å; S78-T96 WeakPolarHBondContact O-CA 3.4Å; T96-A98 PolarHBondContact O-N 3.13Å; T96-E99 PolarHBondContact N-OE2 2.69Å; T96-E99 PolarHBondContact O-N 3.45Å; T96-E99 VanDerWaalsContact O-N 3.15Å; T96-E99 VanDerWaalsContact OG1-CG 3.32Å; T96-E99 WeakPolarHBondContact OG1-CG 3.33Å; T96-E99 PolarHBondContact OG1-N 3.08Å; T96-E99 VanDerWaalsContact OG1-N 3.13Å; T96-L100 WeakPolarHBondContact O-CG 3.48Å; T96-L100 PolarHBondContact O-N 3.18Å |
| 97 | L | 81.7 | Confident | 88.7 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 7% | 0.073 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.5 | -36.7 | 172.6 | -176.2 | 59.1 | 0 | 0 | 0 | 111.9 | S78 Y80 L100 K101 | S78-L97 PolarHBondContact O-N 3.28Å; Y80-L97 HydrophobicContact CE2-CB 4.08Å; Y80-L97 HydrophobicContact CE2-CD1 4.05Å; L97-L100 PolarHBondContact O-N 3.32Å; L97-K101 HydrophobicContact CG-CD 4.36Å; L97-K101 WeakPolarHBondContact O-CB 3.21Å; L97-K101 WeakPolarHBondContact O-CG 3.44Å; L97-K101 PolarHBondContact O-N 3.24Å |
| 98 | A | 83.1 | Confident | 88.9 | Confident | 70 Ų | 70 | 46.1 Ų | 46.1 | 58% | 0.579 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -63.6 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T96 K101 S102 | T96-A98 PolarHBondContact O-N 3.13Å; A98-K101 PolarHBondContact O-N 3.29Å; A98-S102 WeakPolarHBondContact O-CB 3.32Å; A98-S102 PolarHBondContact O-N 3.04Å |
| 99 | E | 87.4 | Confident | 89 | Confident | 70 Ų | 70 | 47.1 Ų | 47.1 | 33% | 0.327 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.4 | -41 | 175 | -72.8 | 173.8 | 143 | 0 | 0 | 111.8 | R95 T96 S102 F103 R308 | R95-E99 WeakPolarHBondContact CA-OE2 3.5Å; T96-E99 PolarHBondContact N-OE2 2.69Å; T96-E99 PolarHBondContact O-N 3.45Å; T96-E99 VanDerWaalsContact O-N 3.15Å; T96-E99 VanDerWaalsContact OG1-CG 3.32Å; T96-E99 WeakPolarHBondContact OG1-CG 3.33Å; T96-E99 PolarHBondContact OG1-N 3.08Å; T96-E99 VanDerWaalsContact OG1-N 3.13Å; E99-S102 PolarHBondContact O-N 3.26Å; E99-F103 WeakPolarHBondContact O-CB 3.26Å; E99-F103 PolarHBondContact O-N 2.88Å; E99-R308 IonicContact OE1-CZ 2.71Å; E99-R308 IonicContact OE1-NE 3.05Å; E99-R308 IonicContact OE1-NH2 3.61Å; E99-R308 PolarHBondContact OE1-NH2 3.43Å; E99-R308 IonicContact OE2-NH2 3.22Å; E99-R308 PolarHBondContact OE2-NH2 3.18Å |
| 100 | L | 90.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 178.3 | -68.6 | 169.1 | 0 | 0 | 0 | 112.6 | Y80 R95 T96 L97 F103 H104 F130 L149 I153 L171 | Y80-L100 HydrophobicContact CD2-CD1 3.46Å; Y80-L100 VanDerWaalsContact CD2-CD1 3.46Å; Y80-L100 HydrophobicContact CE2-CD1 4.03Å; Y80-L100 HydrophobicContact CG-CD1 4.1Å; R95-L100 HydrophobicContact CB-CD2 4.06Å; R95-L100 HydrophobicContact CB-CG 4.04Å; T96-L100 WeakPolarHBondContact O-CG 3.48Å; T96-L100 PolarHBondContact O-N 3.18Å; L97-L100 PolarHBondContact O-N 3.32Å; L100-F103 PolarHBondContact O-N 2.68Å; L100-H104 WeakPolarHBondContact O-CB 3.4Å; L100-H104 PolarHBondContact O-N 3.44Å; L100-F130 HydrophobicContact CB-CE2 4.39Å; L100-F130 HydrophobicContact CB-CZ 4.37Å; L100-L149 HydrophobicContact CD1-CD1 4.18Å; L100-L149 HydrophobicContact CD1-CD2 3.53Å; L100-L149 HydrophobicContact CD1-CG 4.48Å; L100-I153 HydrophobicContact CD2-CD1 4.19Å; L100-L171 HydrophobicContact CD2-CD1 3.94Å |
| 101 | K | 89.4 | Confident | 88.4 | Confident | 66 Ų | 66 | 45.8 Ų | 45.8 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 173.1 | -75.2 | 175 | 173.2 | -172.5 | 0 | 112.1 | L97 A98 F103 H104 T105 F130 T133 | L97-K101 HydrophobicContact CG-CD 4.36Å; L97-K101 WeakPolarHBondContact O-CB 3.21Å; L97-K101 WeakPolarHBondContact O-CG 3.44Å; L97-K101 PolarHBondContact O-N 3.24Å; A98-K101 PolarHBondContact O-N 3.29Å; K101-F103 VanDerWaalsContact C-N 3.34Å; K101-H104 PolarHBondContact O-N 2.85Å; K101-T105 PolarHBondContact O-N 3.48Å; K101-T105 PolarHBondContact O-OG1 3.44Å; K101-F130 HydrophobicContact CG-CE1 3.96Å; K101-F130 HydrophobicContact CG-CZ 3.95Å; K101-T133 WeakPolarHBondContact CE-OG1 3.37Å; K101-T133 PolarHBondContact NZ-OG1 2.81Å |
| 102 | S | 89.9 | Confident | 87.9 | Confident | 73 Ų | 73 | 47.4 Ų | 47.4 | 51% | 0.51 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 175.2 | -179.3 | 0 | 0 | 0 | 0 | 111.4 | A98 E99 T105 S106 | A98-S102 WeakPolarHBondContact O-CB 3.32Å; A98-S102 PolarHBondContact O-N 3.04Å; E99-S102 PolarHBondContact O-N 3.26Å; S102-T105 PolarHBondContact O-N 3.41Å; S102-S106 WeakPolarHBondContact O-CB 3.31Å; S102-S106 PolarHBondContact O-N 3.19Å; S102-S106 PolarHBondContact O-OG 2.71Å |
| 103 | F | 93.2 | Very high | 87.3 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59.2 | -50 | 172 | 168.2 | -97.5 | 0 | 0 | 0 | 111.4 | E99 L100 K101 T105 S106 F107 Y152 I156 L167 V168 L171 | E99-F103 WeakPolarHBondContact O-CB 3.26Å; E99-F103 PolarHBondContact O-N 2.88Å; L100-F103 PolarHBondContact O-N 2.68Å; K101-F103 VanDerWaalsContact C-N 3.34Å; F103-T105 PolarHBondContact O-N 2.98Å; F103-S106 PolarHBondContact O-N 2.83Å; F103-F107 HydrophobicContact CE1-CB 4.35Å; F103-F107 HydrophobicContact CE2-CB 4.31Å; F103-F107 HydrophobicContact CZ-CB 4.12Å; F103-F107 HydrophobicContact CZ-CD2 4.24Å; F103-F107 HydrophobicContact CZ-CG 4.19Å; F103-F107 WeakPolarHBondContact O-CB 3.38Å; F103-F107 PolarHBondContact O-N 3.26Å; F103-Y152 HydrophobicContact CE1-CE1 4.25Å; F103-I156 HydrophobicContact CE1-CD1 3.94Å; F103-I156 HydrophobicContact CZ-CD1 4.2Å; F103-L167 HydrophobicContact CD2-CB 4.23Å; F103-L167 HydrophobicContact CE2-CB 3.98Å; F103-V168 HydrophobicContact CE2-CG2 3.98Å; F103-V168 HydrophobicContact CZ-CG2 3.91Å; F103-L171 HydrophobicContact CD1-CD2 3.91Å; F103-L171 HydrophobicContact CD2-CB 4.07Å; F103-L171 HydrophobicContact CD2-CD2 4.06Å; F103-L171 HydrophobicContact CD2-CG 4.47Å; F103-L171 HydrophobicContact CE1-CD2 3.69Å; F103-L171 HydrophobicContact CE2-CB 4.09Å; F103-L171 HydrophobicContact CE2-CD2 3.84Å; F103-L171 HydrophobicContact CG-CD1 4.4Å; F103-L171 HydrophobicContact CG-CD2 4.09Å; F103-L171 HydrophobicContact CZ-CD2 3.66Å |
| 104 | H | 93.1 | Very high | 86.4 | Confident | 50 Ų | 50 | 53.1 Ų | 53.1 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -55 | -50.7 | 178.3 | 170.8 | 67 | 0 | 0 | 0 | 111.5 | L100 K101 S106 F107 M108 F130 Y152 | L100-H104 WeakPolarHBondContact O-CB 3.4Å; L100-H104 PolarHBondContact O-N 3.44Å; K101-H104 PolarHBondContact O-N 2.85Å; H104-S106 PolarHBondContact O-N 3.34Å; H104-F107 PolarHBondContact O-N 3.35Å; H104-M108 VanDerWaalsContact CE1-CG 3.45Å; H104-M108 WeakPolarHBondContact CE1-CG 3.35Å; H104-M108 WeakPolarHBondContact O-CB 3.31Å; H104-M108 VanDerWaalsContact O-CG 3.28Å; H104-M108 WeakPolarHBondContact O-CG 3.4Å; H104-M108 PolarHBondContact O-N 3.11Å; H104-F130 HydrophobicContact CB-CD2 3.71Å; H104-F130 HydrophobicContact CB-CE2 3.87Å; H104-F130 HydrophobicContact CB-CG 4.17Å; H104-F130 HydrophobicContact CB-CZ 4.44Å; H104-F130 AromaticContact CG-CD2 3.81Å; H104-F130 AromaticContact CG-CG 3.79Å; H104-F130 AromaticContact ND1-CD2 3.96Å; H104-F130 AromaticContact ND1-CG 3.89Å; H104-Y152 AromaticContact ND1-CE2 3.9Å; H104-Y152 AromaticContact ND1-CZ 3.44Å; H104-Y152 PolarHBondContact ND1-OH 3.28Å |
| 105 | T | 92.1 | Very high | 85.5 | Confident | 84 Ų | 84 | 54.2 Ų | 54.2 | 52% | 0.515 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.9 | -48.2 | -180 | -51.9 | 0 | 0 | 0 | 0 | 111.3 | K101 S102 F103 F107 M108 L109 | K101-T105 PolarHBondContact O-N 3.48Å; K101-T105 PolarHBondContact O-OG1 3.44Å; S102-T105 PolarHBondContact O-N 3.41Å; F103-T105 PolarHBondContact O-N 2.98Å; T105-F107 PolarHBondContact O-N 3.2Å; T105-M108 PolarHBondContact O-N 2.84Å; T105-L109 WeakPolarHBondContact O-CG 3.47Å; T105-L109 PolarHBondContact O-N 3.36Å |
| 106 | S | 90.2 | Very high | 84.7 | Confident | 43 Ų | 43 | 59.9 Ų | 59.9 | 30% | 0.301 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 179.6 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | S102 F103 H104 L109 Q110 L167 | S102-S106 WeakPolarHBondContact O-CB 3.31Å; S102-S106 PolarHBondContact O-N 3.19Å; S102-S106 PolarHBondContact O-OG 2.71Å; F103-S106 PolarHBondContact O-N 2.83Å; H104-S106 PolarHBondContact O-N 3.34Å; S106-L109 PolarHBondContact O-N 2.97Å; S106-Q110 PolarHBondContact O-N 2.95Å; S106-L167 VanDerWaalsContact C-CD1 3.44Å; S106-L167 WeakPolarHBondContact O-CD1 3.5Å |
| 107 | F | 91.5 | Very high | 83.7 | Confident | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.2 | -40.6 | -179.5 | 177.1 | -97.5 | 0 | 0 | 0 | 111.7 | F103 H104 T105 L109 Q110 R111 L127 I156 Y162 L167 V168 | F103-F107 HydrophobicContact CE1-CB 4.35Å; F103-F107 HydrophobicContact CE2-CB 4.31Å; F103-F107 HydrophobicContact CZ-CB 4.12Å; F103-F107 HydrophobicContact CZ-CD2 4.24Å; F103-F107 HydrophobicContact CZ-CG 4.19Å; F103-F107 WeakPolarHBondContact O-CB 3.38Å; F103-F107 PolarHBondContact O-N 3.26Å; H104-F107 PolarHBondContact O-N 3.35Å; T105-F107 PolarHBondContact O-N 3.2Å; F107-L109 VanDerWaalsContact C-N 3.32Å; F107-L109 PolarHBondContact O-N 3.43Å; F107-Q110 PolarHBondContact O-N 3Å; F107-R111 HydrophobicContact CE1-CB 4.4Å; F107-R111 VanDerWaalsContact O-CB 3.3Å; F107-R111 WeakPolarHBondContact O-CB 3.45Å; F107-R111 PolarHBondContact O-N 3.36Å; F107-L127 HydrophobicContact CE1-CD1 3.61Å; F107-L127 HydrophobicContact CZ-CD1 4.2Å; F107-I156 HydrophobicContact CD1-CD1 3.72Å; F107-I156 HydrophobicContact CD1-CG1 4.36Å; F107-I156 HydrophobicContact CD2-CG2 4.35Å; F107-I156 HydrophobicContact CE1-CD1 3.57Å; F107-I156 HydrophobicContact CE1-CG1 3.7Å; F107-I156 HydrophobicContact CE1-CG2 4.31Å; F107-I156 HydrophobicContact CE2-CG2 3.65Å; F107-I156 HydrophobicContact CG-CD1 4.26Å; F107-I156 HydrophobicContact CZ-CB 4.31Å; F107-I156 HydrophobicContact CZ-CD1 4Å; F107-I156 HydrophobicContact CZ-CG1 3.82Å; F107-I156 HydrophobicContact CZ-CG2 3.63Å; F107-Y162 HydrophobicContact CE2-CD1 4.27Å; F107-Y162 AromaticContact CE2-CG 4Å; F107-Y162 HydrophobicContact CE2-CG 4Å; F107-Y162 HydrophobicContact CZ-CD1 4.1Å; F107-Y162 AromaticContact CZ-CD2 3.78Å; F107-Y162 HydrophobicContact CZ-CD2 3.78Å; F107-Y162 HydrophobicContact CZ-CE2 4.3Å; F107-Y162 AromaticContact CZ-CG 3.69Å; F107-Y162 HydrophobicContact CZ-CG 3.69Å; F107-L167 HydrophobicContact CB-CD1 4.39Å; F107-V168 HydrophobicContact CD2-CG2 4.37Å; F107-V168 HydrophobicContact CE2-CG2 4.37Å |
| 108 | M | 89.3 | Confident | 82.4 | Confident | 73 Ų | 73 | 68 Ų | 68 | 36% | 0.36 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 176.6 | -70.2 | -57.4 | -67.8 | 0 | 0 | 111.8 | H104 T105 R111 A112 | H104-M108 VanDerWaalsContact CE1-CG 3.45Å; H104-M108 WeakPolarHBondContact CE1-CG 3.35Å; H104-M108 WeakPolarHBondContact O-CB 3.31Å; H104-M108 VanDerWaalsContact O-CG 3.28Å; H104-M108 WeakPolarHBondContact O-CG 3.4Å; H104-M108 PolarHBondContact O-N 3.11Å; T105-M108 PolarHBondContact O-N 2.84Å; M108-R111 PolarHBondContact O-N 3.15Å; M108-A112 WeakPolarHBondContact O-CB 3.42Å; M108-A112 PolarHBondContact O-N 2.81Å |
| 109 | L | 85.7 | Confident | 81.1 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 60% | 0.602 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -62 | -47.1 | 171.3 | -69.9 | 170.2 | 0 | 0 | 0 | 111.6 | T105 S106 F107 R111 A112 L113 | T105-L109 WeakPolarHBondContact O-CG 3.47Å; T105-L109 PolarHBondContact O-N 3.36Å; S106-L109 PolarHBondContact O-N 2.97Å; F107-L109 VanDerWaalsContact C-N 3.32Å; F107-L109 PolarHBondContact O-N 3.43Å; L109-R111 VanDerWaalsContact C-N 3.33Å; L109-R111 PolarHBondContact O-N 3.13Å; L109-A112 PolarHBondContact O-N 2.82Å; L109-L113 WeakPolarHBondContact O-CG 3.24Å; L109-L113 PolarHBondContact O-N 3.04Å |
| 110 | Q | 81.9 | Confident | 79.5 | Confident | 48 Ų | 48 | 75.5 Ų | 75.5 | 22% | 0.224 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.9 | -175.8 | 170.4 | 26.8 | 0 | 0 | 112.2 | S106 F107 L113 L114 L167 | S106-Q110 PolarHBondContact O-N 2.95Å; F107-Q110 PolarHBondContact O-N 3Å; Q110-L113 WeakPolarHBondContact O-CB 3.35Å; Q110-L113 PolarHBondContact O-N 2.95Å; Q110-L114 HydrophobicContact CG-CD1 4.24Å; Q110-L114 WeakPolarHBondContact O-CG 3.37Å; Q110-L114 PolarHBondContact O-N 3.29Å; Q110-L167 HydrophobicContact CB-CD1 4.25Å; Q110-L167 VanDerWaalsContact OE1-CD1 3.29Å |
| 111 | R | 83.2 | Confident | 77.9 | Confident | 63 Ų | 63 | 84.7 Ų | 84.7 | 24% | 0.238 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 176.3 | 179.2 | 178.8 | 170.2 | -155.6 | -3.2 | 111.5 | F107 M108 L109 L113 L114 S115 Y162 | F107-R111 HydrophobicContact CE1-CB 4.4Å; F107-R111 VanDerWaalsContact O-CB 3.3Å; F107-R111 WeakPolarHBondContact O-CB 3.45Å; F107-R111 PolarHBondContact O-N 3.36Å; M108-R111 PolarHBondContact O-N 3.15Å; L109-R111 VanDerWaalsContact C-N 3.33Å; L109-R111 PolarHBondContact O-N 3.13Å; R111-L113 VanDerWaalsContact C-N 3.34Å; R111-L113 PolarHBondContact O-N 3.25Å; R111-L114 PolarHBondContact O-N 3.44Å; R111-S115 PolarHBondContact O-N 2.96Å; R111-Y162 HydrophobicContact CG-CE1 4.28Å |
| 112 | A | 81.1 | Confident | 76.5 | Confident | 48 Ų | 48 | 84.9 Ų | 84.9 | 40% | 0.397 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.4 | -46.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111 | M108 L109 L114 S115 I116 | M108-A112 WeakPolarHBondContact O-CB 3.42Å; M108-A112 PolarHBondContact O-N 2.81Å; L109-A112 PolarHBondContact O-N 2.82Å; A112-L114 PolarHBondContact O-N 2.98Å; A112-S115 PolarHBondContact O-N 3.39Å; A112-S115 VanDerWaalsContact O-N 3.16Å; A112-S115 PolarHBondContact O-OG 3.26Å; A112-I116 WeakPolarHBondContact O-CG1 3.24Å; A112-I116 PolarHBondContact O-N 3.11Å |
| 113 | L | 77 | Confident | 75 | Confident | 123 Ų | 123 | 82 Ų | 82 | 64% | 0.644 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -60.4 | -42.5 | 176 | -68.3 | 171 | 0 | 0 | 0 | 112.8 | L109 Q110 R111 S115 I116 S117 | L109-L113 WeakPolarHBondContact O-CG 3.24Å; L109-L113 PolarHBondContact O-N 3.04Å; Q110-L113 WeakPolarHBondContact O-CB 3.35Å; Q110-L113 PolarHBondContact O-N 2.95Å; R111-L113 VanDerWaalsContact C-N 3.34Å; R111-L113 PolarHBondContact O-N 3.25Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.3Å; L113-I116 PolarHBondContact O-N 3.2Å; L113-S117 PolarHBondContact O-N 2.72Å |
| 114 | L | 73.1 | Confident | 73.5 | Confident | 41 Ų | 41 | 91.8 Ų | 91.8 | 22% | 0.215 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.5 | -34.4 | 176.6 | -72.8 | 170.5 | 0 | 0 | 0 | 112.3 | Q110 R111 A112 I116 S117 Y162 | Q110-L114 HydrophobicContact CG-CD1 4.24Å; Q110-L114 WeakPolarHBondContact O-CG 3.37Å; Q110-L114 PolarHBondContact O-N 3.29Å; R111-L114 PolarHBondContact O-N 3.44Å; A112-L114 PolarHBondContact O-N 2.98Å; L114-I116 VanDerWaalsContact C-N 3.32Å; L114-I116 PolarHBondContact O-N 2.94Å; L114-S117 PolarHBondContact O-N 3.44Å; L114-S117 PolarHBondContact O-OG 2.97Å; L114-Y162 HydrophobicContact CD1-CD1 4.07Å; L114-Y162 HydrophobicContact CD1-CE1 4.05Å |
| 115 | S | 69.8 | Low | 72.5 | Confident | 84 Ų | 84 | 95.5 Ų | 95.5 | 59% | 0.587 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.1 | -24.8 | 177.6 | 73.5 | 0 | 0 | 0 | 0 | 114.2 | R111 A112 L113 | R111-S115 PolarHBondContact O-N 2.96Å; A112-S115 PolarHBondContact O-N 3.39Å; A112-S115 VanDerWaalsContact O-N 3.16Å; A112-S115 PolarHBondContact O-OG 3.26Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.3Å |
| 116 | I | 70.1 | Confident | 72 | Confident | 132 Ų | 132 | 101.2 Ų | 101.2 | 68% | 0.677 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -78.7 | -34 | 176.2 | -64.4 | 163.8 | 0 | 0 | 0 | 110.8 | A112 L113 L114 | A112-I116 WeakPolarHBondContact O-CG1 3.24Å; A112-I116 PolarHBondContact O-N 3.11Å; L113-I116 PolarHBondContact O-N 3.2Å; L114-I116 VanDerWaalsContact C-N 3.32Å; L114-I116 PolarHBondContact O-N 2.94Å |
| 117 | S | 63.7 | Low | 71.8 | Confident | 44 Ų | 44 | 100 Ų | 100 | 31% | 0.308 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | 133 | 169.9 | 72.5 | 0 | 0 | 0 | 0 | 109.2 | L113 L114 I119 | L113-S117 PolarHBondContact O-N 2.72Å; L114-S117 PolarHBondContact O-N 3.44Å; L114-S117 PolarHBondContact O-OG 2.97Å; S117-I119 PolarHBondContact O-N 3.05Å; S117-I119 WeakPolarHBondContact OG-CD1 3.41Å; S117-I119 VanDerWaalsContact OG-CG1 3.32Å; S117-I119 WeakPolarHBondContact OG-CG1 3.31Å |
| 118 | N | 56.1 | Low | 71.8 | Confident | 183 Ų | 183 | 103.4 Ų | 103.4 | 98% | 0.979 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 42.9 | 179.7 | -89.1 | -24.7 | 0 | 0 | 0 | 114.3 | ||
| 119 | I | 54.4 | Low | 71.9 | Confident | 94 Ų | 94 | 103.7 Ų | 103.7 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | trans | -88.5 | 144.1 | -178.9 | -60.8 | -180 | 0 | 0 | 0 | 109.5 | S117 | S117-I119 PolarHBondContact O-N 3.05Å; S117-I119 WeakPolarHBondContact OG-CD1 3.41Å; S117-I119 VanDerWaalsContact OG-CG1 3.32Å; S117-I119 WeakPolarHBondContact OG-CG1 3.31Å | ||
| 120 | R | 54.1 | Low | 72.1 | Confident | 204 Ų | 204 | 99.8 Ų | 99.8 | 77% | 0.77 | 48% | 0.484 | S | S | * | . | trans | -37.4 | 157.7 | -168.8 | -67.5 | 172.2 | 174.2 | 176.5 | -4.3 | 117.8 | D122 S123 | R120-D122 PolarHBondContact O-N 2.95Å; R120-S123 PolarHBondContact O-N 3Å | ||
| 121 | K | 57 | Low | 72.2 | Confident | 193 Ų | 193 | 97.8 Ų | 97.8 | 84% | 0.839 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -43.1 | -33.5 | -178.1 | -78.5 | -176.6 | 175.9 | 178 | 0 | 116 | S123 R124 | K121-S123 VanDerWaalsContact C-N 3.28Å; K121-S123 PolarHBondContact O-N 3.23Å; K121-R124 PolarHBondContact O-N 3.37Å; K121-R124 VanDerWaalsContact O-N 3.13Å |
| 122 | D | 59.3 | Low | 72 | Confident | 71 Ų | 71 | 98.1 Ų | 98.1 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | G | 310 helix | trans | -64.7 | -25.2 | -176.1 | -85.5 | -47.9 | 0 | 0 | 0 | 114.5 | R120 R124 R125 | R120-D122 PolarHBondContact O-N 2.95Å; D122-R124 PolarHBondContact O-N 3.33Å; D122-R124 VanDerWaalsContact O-N 3.08Å; D122-R125 PolarHBondContact O-N 2.82Å; D122-R125 IonicContact OD1-CZ 2.7Å; D122-R125 IonicContact OD1-NE 3.59Å; D122-R125 PolarHBondContact OD1-NE 2.88Å; D122-R125 IonicContact OD1-NH2 3.32Å; D122-R125 PolarHBondContact OD1-NH2 3.02Å |
| 123 | S | 59.1 | Low | 71.3 | Confident | 12 Ų | 12 | 100.3 Ų | 100.3 | 8% | 0.084 | 49% | 0.494 | C | S | . | . | G | 310 helix | trans | -65.8 | -11.3 | 175.2 | -57.2 | 0 | 0 | 0 | 0 | 113.3 | R120 K121 Y162 | R120-S123 PolarHBondContact O-N 3Å; K121-S123 VanDerWaalsContact C-N 3.28Å; K121-S123 PolarHBondContact O-N 3.23Å; S123-Y162 PolarHBondContact O-OH 3.48Å |
| 124 | R | 62.4 | Low | 70.8 | Confident | 222 Ų | 222 | 97.2 Ų | 97.2 | 84% | 0.838 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -91.6 | 2.6 | 177.1 | -62.6 | -175.5 | -176 | 172.4 | 0.9 | 114.1 | K121 D122 K126 | K121-R124 PolarHBondContact O-N 3.37Å; K121-R124 VanDerWaalsContact O-N 3.13Å; D122-R124 PolarHBondContact O-N 3.33Å; D122-R124 VanDerWaalsContact O-N 3.08Å; R124-K126 PolarHBondContact O-N 2.79Å |
| 125 | R | 71.6 | Confident | 70.1 | Confident | 128 Ų | 128 | 103.5 Ų | 103.5 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 137.5 | 176.5 | -81.3 | -176.3 | -173.3 | -170.2 | 1.4 | 111.6 | D122 L127 V159 | D122-R125 PolarHBondContact O-N 2.82Å; D122-R125 IonicContact OD1-CZ 2.7Å; D122-R125 IonicContact OD1-NE 3.59Å; D122-R125 PolarHBondContact OD1-NE 2.88Å; D122-R125 IonicContact OD1-NH2 3.32Å; D122-R125 PolarHBondContact OD1-NH2 3.02Å; R125-L127 PolarHBondContact O-N 2.9Å; R125-V159 HydrophobicContact CB-CG2 4.34Å |
| 126 | K | 81.2 | Confident | 69.5 | Low | 203 Ų | 203 | 107 Ų | 107 | 88% | 0.883 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 116.5 | 174.8 | -172.9 | 176.7 | -179 | 179.4 | 0 | 108.7 | R124 | R124-K126 PolarHBondContact O-N 2.79Š|
| 127 | L | 86.3 | Confident | 69 | Low | 17 Ų | 17 | 101.9 Ų | 101.9 | 9% | 0.089 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 152 | 171.5 | -60.8 | -177.4 | 0 | 0 | 0 | 109.8 | F107 R125 S155 I156 Y162 | F107-L127 HydrophobicContact CE1-CD1 3.61Å; F107-L127 HydrophobicContact CZ-CD1 4.2Å; R125-L127 PolarHBondContact O-N 2.9Å; L127-S155 VanDerWaalsContact CD2-O 3.24Å; L127-S155 WeakPolarHBondContact CD2-O 3.41Å; L127-I156 HydrophobicContact CD1-CG1 3.99Å; L127-I156 HydrophobicContact CD2-CG1 4.26Å; L127-Y162 HydrophobicContact CD1-CE2 4.34Å; L127-Y162 HydrophobicContact CD2-CD2 4.33Å; L127-Y162 HydrophobicContact CD2-CE2 4.13Å |
| 128 | N | 92 | Very high | 69.2 | Low | 73 Ų | 73 | 104.3 Ų | 104.3 | 39% | 0.39 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 156.6 | 166.9 | -72.3 | -47.3 | 0 | 0 | 0 | 109.7 | K151 Y152 S155 | N128-K151 HydrophobicContact CB-CB 4.3Å; N128-K151 PolarHBondContact ND2-O 3.01Å; N128-Y152 WeakPolarHBondContact O-CD2 3.46Å; N128-S155 PolarHBondContact N-OG 2.91Å |
| 129 | P | 90.1 | Very high | 69.9 | Low | 79 Ų | 79 | 102.1 Ų | 102.1 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 148.9 | 178.4 | 29.8 | -34.2 | 0 | 0 | 0 | 111.8 | M148 | P129-M148 HydrophobicContact CG-CE 4.04Å; P129-M148 HydrophobicContact CG-SD 4.24Å; P129-M148 WeakPolarHBondContact O-CG 3.25Å |
| 130 | F | 90 | Very high | 70.9 | Confident | 33 Ų | 33 | 104.9 Ų | 104.9 | 15% | 0.145 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 141.2 | 168.9 | -173.2 | -92 | 0 | 0 | 0 | 109.6 | L100 K101 H104 L149 Y152 | L100-F130 HydrophobicContact CB-CE2 4.39Å; L100-F130 HydrophobicContact CB-CZ 4.37Å; K101-F130 HydrophobicContact CG-CE1 3.96Å; K101-F130 HydrophobicContact CG-CZ 3.95Å; H104-F130 HydrophobicContact CB-CD2 3.71Å; H104-F130 HydrophobicContact CB-CE2 3.87Å; H104-F130 HydrophobicContact CB-CG 4.17Å; H104-F130 HydrophobicContact CB-CZ 4.44Å; H104-F130 AromaticContact CG-CD2 3.81Å; H104-F130 AromaticContact CG-CG 3.79Å; H104-F130 AromaticContact ND1-CD2 3.96Å; H104-F130 AromaticContact ND1-CG 3.89Å; F130-L149 HydrophobicContact CE2-CD1 3.99Å; F130-Y152 HydrophobicContact CB-CD2 4.12Å; F130-Y152 HydrophobicContact CB-CE2 4.04Å; F130-Y152 HydrophobicContact CB-CG 4.49Å; F130-Y152 AromaticContact CD2-CD1 3.8Å; F130-Y152 HydrophobicContact CD2-CD1 3.8Å; F130-Y152 AromaticContact CD2-CE1 3.67Å; F130-Y152 HydrophobicContact CD2-CE1 3.67Å; F130-Y152 HydrophobicContact CD2-CG 4.3Å; F130-Y152 HydrophobicContact CE2-CE1 4.42Å |
| 131 | P | 85.3 | Confident | 71.9 | Confident | 7 Ų | 7 | 101.2 Ų | 101.2 | 5% | 0.045 | 48% | 0.478 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 143.8 | -177.7 | 21.3 | -32.9 | 0 | 0 | 0 | 114.2 | R145 M148 L149 | P131-R145 HydrophobicContact CB-CB 4.49Å; P131-R145 HydrophobicContact CB-CG 3.78Å; P131-R145 HydrophobicContact CG-CG 4.07Å; P131-M148 WeakPolarHBondContact CA-SD 3.43Å; P131-M148 HydrophobicContact CB-CB 4.34Å; P131-M148 HydrophobicContact CB-CG 4.3Å; P131-M148 HydrophobicContact CB-SD 4.04Å; P131-L149 HydrophobicContact CG-CB 4.22Å; P131-L149 HydrophobicContact CG-CD1 4.32Å |
| 132 | P | 77.9 | Confident | 72.7 | Confident | 69 Ų | 69 | 93.1 Ų | 93.1 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 150.2 | 176.8 | -1.4 | 13.5 | 0 | 0 | 0 | 111.5 | F134 | P132-F134 HydrophobicContact CB-CD1 4.19Å; P132-F134 HydrophobicContact CB-CE1 3.48Å; P132-F134 VanDerWaalsContact CB-CE1 3.48Å; P132-F134 HydrophobicContact CB-CZ 3.88Å; P132-F134 HydrophobicContact CG-CE1 3.58Å; P132-F134 HydrophobicContact CG-CZ 3.62Å |
| 133 | T | 67.7 | Low | 73.8 | Confident | 94 Ų | 94 | 96.1 Ų | 96.1 | 58% | 0.577 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 126.3 | 170.2 | -54.8 | 0 | 0 | 0 | 0 | 108.4 | K101 | K101-T133 WeakPolarHBondContact CE-OG1 3.37Å; K101-T133 PolarHBondContact NZ-OG1 2.81Å |
| 134 | F | 66.5 | Low | 74.9 | Confident | 58 Ų | 58 | 99.5 Ų | 99.5 | 25% | 0.254 | 47% | 0.468 | S | S | . | . | trans | -119.1 | 139.3 | 172.9 | -36.1 | -64.1 | 0 | 0 | 0 | 107.5 | P132 | P132-F134 HydrophobicContact CB-CD1 4.19Å; P132-F134 HydrophobicContact CB-CE1 3.48Å; P132-F134 VanDerWaalsContact CB-CE1 3.48Å; P132-F134 HydrophobicContact CB-CZ 3.88Å; P132-F134 HydrophobicContact CG-CE1 3.58Å; P132-F134 HydrophobicContact CG-CZ 3.62Å | ||
| 135 | E | 58.2 | Low | 75.9 | Confident | 173 Ų | 173 | 89.2 Ų | 89.2 | 81% | 0.808 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -71.3 | -35.8 | 175.5 | -70.5 | 179.7 | 167.9 | 0 | 0 | 112.2 | ||
| 136 | F | 57 | Low | 76.6 | Confident | 159 Ų | 159 | 86 Ų | 86 | 70% | 0.697 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -131.5 | 122.9 | 178.7 | -57.5 | -83.6 | 0 | 0 | 0 | 110.4 | R141 | F136-R141 PolarHBondContact O-NH1 3.22Š|
| 137 | A | 59.4 | Low | 77 | Confident | 23 Ų | 23 | 78.3 Ų | 78.3 | 19% | 0.19 | 39% | 0.387 | C | S | . | . | trans | -119.8 | 128.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | R141 L142 | A137-R141 HydrophobicContact CB-CB 4.14Å; A137-L142 HydrophobicContact CB-CD2 3.5Å; A137-L142 VanDerWaalsContact CB-CD2 3.5Å; A137-L142 HydrophobicContact CB-CG 3.84Å | ||
| 138 | N | 68.7 | Low | 77.2 | Confident | 95 Ų | 95 | 80.6 Ų | 80.6 | 51% | 0.508 | 40% | 0.398 | S | S | . | . | trans | -83.2 | 169.7 | 164.8 | 63 | 4.2 | 0 | 0 | 0 | 110.1 | K140 R141 L142 | N138-K140 PolarHBondContact O-N 3.45Å; N138-K140 VanDerWaalsContact O-N 3.11Å; N138-R141 PolarHBondContact O-N 3.41Å; N138-R141 VanDerWaalsContact OD1-CB 3.31Å; N138-R141 WeakPolarHBondContact OD1-CB 3.42Å; N138-R141 VanDerWaalsContact OD1-CG 3.22Å; N138-R141 WeakPolarHBondContact OD1-CG 3.36Å; N138-R141 PolarHBondContact OD1-N 3.24Å; N138-L142 WeakPolarHBondContact O-CG 3.46Å; N138-L142 PolarHBondContact O-N 3.24Å | ||
| 139 | D | 69.1 | Low | 77.2 | Confident | 137 Ų | 137 | 77.3 Ų | 77.3 | 73% | 0.733 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -52.6 | -38.2 | -177.1 | -68.1 | -30.2 | 0 | 0 | 0 | 113.9 | L142 Y143 | D139-L142 PolarHBondContact O-N 3.14Å; D139-Y143 PolarHBondContact O-N 3.08Å |
| 140 | K | 76 | Confident | 77.4 | Confident | 152 Ų | 152 | 76.4 Ų | 76.4 | 66% | 0.661 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.3 | -48.1 | 176.8 | -171.3 | 176.3 | -179.4 | 178.3 | 0 | 112 | N138 L142 Y143 D144 | N138-K140 PolarHBondContact O-N 3.45Å; N138-K140 VanDerWaalsContact O-N 3.11Å; K140-L142 VanDerWaalsContact C-N 3.29Å; K140-L142 PolarHBondContact O-N 3.39Å; K140-Y143 WeakPolarHBondContact O-CB 3.5Å; K140-Y143 PolarHBondContact O-N 2.86Å; K140-D144 PolarHBondContact O-N 3.16Å |
| 141 | R | 75.1 | Confident | 77.6 | Confident | 128 Ų | 128 | 80.4 Ų | 80.4 | 48% | 0.483 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.6 | -33.6 | 176.9 | -74.7 | 176.6 | 178.7 | -178.2 | 0.4 | 112.2 | F136 A137 N138 R145 | F136-R141 PolarHBondContact O-NH1 3.22Å; A137-R141 HydrophobicContact CB-CB 4.14Å; N138-R141 PolarHBondContact O-N 3.41Å; N138-R141 VanDerWaalsContact OD1-CB 3.31Å; N138-R141 WeakPolarHBondContact OD1-CB 3.42Å; N138-R141 VanDerWaalsContact OD1-CG 3.22Å; N138-R141 WeakPolarHBondContact OD1-CG 3.36Å; N138-R141 PolarHBondContact OD1-N 3.24Å; R141-R145 VanDerWaalsContact O-CB 3.29Å; R141-R145 WeakPolarHBondContact O-CB 3.42Å; R141-R145 PolarHBondContact O-N 3.34Å |
| 142 | L | 75 | Confident | 78 | Confident | 22 Ų | 22 | 80.3 Ų | 80.3 | 12% | 0.115 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 173.7 | -66.1 | 177.5 | 0 | 0 | 0 | 111.7 | E44 A137 N138 D139 K140 R146 | E44-L142 HydrophobicContact CG-CD2 4.14Å; E44-L142 WeakPolarHBondContact OE1-CD2 3.17Å; E44-L142 WeakPolarHBondContact OE2-CD2 3.32Å; A137-L142 HydrophobicContact CB-CD2 3.5Å; A137-L142 VanDerWaalsContact CB-CD2 3.5Å; A137-L142 HydrophobicContact CB-CG 3.84Å; N138-L142 WeakPolarHBondContact O-CG 3.46Å; N138-L142 PolarHBondContact O-N 3.24Å; D139-L142 PolarHBondContact O-N 3.14Å; K140-L142 VanDerWaalsContact C-N 3.29Å; K140-L142 PolarHBondContact O-N 3.39Å; L142-R146 WeakPolarHBondContact O-CG 3.36Å; L142-R146 PolarHBondContact O-N 3.17Å; L142-R146 VanDerWaalsContact O-N 3.09Å; L142-R146 PolarHBondContact O-NE 3.36Å |
| 143 | Y | 80.9 | Confident | 78.8 | Confident | 135 Ų | 135 | 77.1 Ų | 77.1 | 53% | 0.529 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62 | -50.6 | 172.3 | -179.2 | -95.3 | 0 | 0 | 0 | 112 | D139 K140 R145 R146 V147 | D139-Y143 PolarHBondContact O-N 3.08Å; K140-Y143 WeakPolarHBondContact O-CB 3.5Å; K140-Y143 PolarHBondContact O-N 2.86Å; Y143-R145 VanDerWaalsContact C-N 3.3Å; Y143-R145 PolarHBondContact O-N 3.43Å; Y143-R146 WeakPolarHBondContact O-CB 3.43Å; Y143-R146 PolarHBondContact O-N 3.29Å; Y143-V147 HydrophobicContact CD1-CG2 4.15Å; Y143-V147 HydrophobicContact CE1-CG2 3.69Å; Y143-V147 HydrophobicContact CE2-CG2 4.26Å; Y143-V147 PolarHBondContact O-N 2.89Å |
| 144 | D | 83.4 | Confident | 80.2 | Confident | 83 Ų | 83 | 74.4 Ų | 74.4 | 44% | 0.444 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.4 | -40.4 | -180 | -66.6 | -25.2 | 0 | 0 | 0 | 111.9 | K140 R146 V147 M148 | K140-D144 PolarHBondContact O-N 3.16Å; D144-R146 PolarHBondContact O-N 3.07Å; D144-V147 PolarHBondContact O-N 3.21Å; D144-M148 WeakPolarHBondContact O-CB 3.25Å; D144-M148 PolarHBondContact O-N 2.65Å |
| 145 | R | 83.3 | Confident | 81.5 | Confident | 6 Ų | 6 | 72.3 Ų | 72.3 | 2% | 0.023 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 174.1 | -179.5 | -179.7 | -72.6 | 165.1 | -5.3 | 111.6 | E44 Y80 P131 R141 Y143 M148 L149 | E44-R145 IonicContact OE1-NH1 3.34Å; E44-R145 PolarHBondContact OE1-NH1 3.33Å; Y80-R145 WeakPolarHBondContact OH-CD 3.24Å; P131-R145 HydrophobicContact CB-CB 4.49Å; P131-R145 HydrophobicContact CB-CG 3.78Å; P131-R145 HydrophobicContact CG-CG 4.07Å; R141-R145 VanDerWaalsContact O-CB 3.29Å; R141-R145 WeakPolarHBondContact O-CB 3.42Å; R141-R145 PolarHBondContact O-N 3.34Å; Y143-R145 VanDerWaalsContact C-N 3.3Å; Y143-R145 PolarHBondContact O-N 3.43Å; R145-M148 PolarHBondContact O-N 3.48Å; R145-L149 VanDerWaalsContact O-CB 3.25Å; R145-L149 WeakPolarHBondContact O-CB 3.05Å; R145-L149 PolarHBondContact O-N 3.18Å |
| 146 | R | 85.9 | Confident | 83.1 | Confident | 61 Ų | 61 | 64.1 Ų | 64.1 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.2 | -49.1 | 176.6 | -76.6 | -178.6 | -73.6 | 173.4 | -5.3 | 111.4 | V39 V40 Y80 L142 Y143 D144 M148 L149 E150 | V39-R146 HydrophobicContact CB-CB 4.46Å; V39-R146 HydrophobicContact CG1-CB 4.11Å; V39-R146 HydrophobicContact CG1-CG 3.91Å; V40-R146 PolarHBondContact O-NH1 2.72Å; Y80-R146 HydrophobicContact CD1-CG 4.26Å; Y80-R146 HydrophobicContact CE1-CG 3.95Å; L142-R146 WeakPolarHBondContact O-CG 3.36Å; L142-R146 PolarHBondContact O-N 3.17Å; L142-R146 VanDerWaalsContact O-N 3.09Å; L142-R146 PolarHBondContact O-NE 3.36Å; Y143-R146 WeakPolarHBondContact O-CB 3.43Å; Y143-R146 PolarHBondContact O-N 3.29Å; D144-R146 PolarHBondContact O-N 3.07Å; R146-M148 VanDerWaalsContact C-N 3.34Å; R146-M148 PolarHBondContact O-N 3.39Å; R146-L149 PolarHBondContact O-N 2.69Å; R146-E150 WeakPolarHBondContact O-CB 3.31Å; R146-E150 PolarHBondContact O-N 3.39Å |
| 147 | V | 89.2 | Confident | 84.8 | Confident | 40 Ų | 40 | 56.6 Ų | 56.6 | 24% | 0.242 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 178.9 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | Y143 D144 K151 | Y143-V147 HydrophobicContact CD1-CG2 4.15Å; Y143-V147 HydrophobicContact CE1-CG2 3.69Å; Y143-V147 HydrophobicContact CE2-CG2 4.26Å; Y143-V147 PolarHBondContact O-N 2.89Å; D144-V147 PolarHBondContact O-N 3.21Å; V147-K151 HydrophobicContact CG1-CD 4.22Å; V147-K151 WeakPolarHBondContact O-CB 3.38Å; V147-K151 WeakPolarHBondContact O-CG 3.28Å; V147-K151 PolarHBondContact O-N 2.94Å |
| 148 | M | 91.5 | Very high | 86.3 | Confident | 66 Ų | 66 | 59.7 Ų | 59.7 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 177.3 | -173.1 | 175.1 | -85.7 | 0 | 0 | 111.7 | P129 P131 D144 R145 R146 K151 Y152 | P129-M148 HydrophobicContact CG-CE 4.04Å; P129-M148 HydrophobicContact CG-SD 4.24Å; P129-M148 WeakPolarHBondContact O-CG 3.25Å; P131-M148 WeakPolarHBondContact CA-SD 3.43Å; P131-M148 HydrophobicContact CB-CB 4.34Å; P131-M148 HydrophobicContact CB-CG 4.3Å; P131-M148 HydrophobicContact CB-SD 4.04Å; D144-M148 WeakPolarHBondContact O-CB 3.25Å; D144-M148 PolarHBondContact O-N 2.65Å; R145-M148 PolarHBondContact O-N 3.48Å; R146-M148 VanDerWaalsContact C-N 3.34Å; R146-M148 PolarHBondContact O-N 3.39Å; M148-K151 PolarHBondContact O-N 2.94Å; M148-Y152 VanDerWaalsContact O-CB 3.25Å; M148-Y152 WeakPolarHBondContact O-CB 3.4Å; M148-Y152 PolarHBondContact O-N 3.49Å |
| 149 | L | 91 | Very high | 87.2 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 175.9 | -176.5 | 67.7 | 0 | 0 | 0 | 111.8 | V39 Y80 L100 F130 P131 R145 R146 Y152 I153 | V39-L149 HydrophobicContact CG1-CD2 4.44Å; V39-L149 HydrophobicContact CG2-CD2 4.43Å; Y80-L149 HydrophobicContact CD1-CD2 4.07Å; Y80-L149 HydrophobicContact CD2-CD2 4.31Å; Y80-L149 HydrophobicContact CE1-CD2 4.36Å; Y80-L149 HydrophobicContact CG-CD2 4.05Å; L100-L149 HydrophobicContact CD1-CD1 4.18Å; L100-L149 HydrophobicContact CD1-CD2 3.53Å; L100-L149 HydrophobicContact CD1-CG 4.48Å; F130-L149 HydrophobicContact CE2-CD1 3.99Å; P131-L149 HydrophobicContact CG-CB 4.22Å; P131-L149 HydrophobicContact CG-CD1 4.32Å; R145-L149 VanDerWaalsContact O-CB 3.25Å; R145-L149 WeakPolarHBondContact O-CB 3.05Å; R145-L149 PolarHBondContact O-N 3.18Å; R146-L149 PolarHBondContact O-N 2.69Å; L149-Y152 WeakPolarHBondContact O-CB 3.19Å; L149-Y152 PolarHBondContact O-N 3.36Å; L149-I153 HydrophobicContact CD1-CD1 3.95Å; L149-I153 HydrophobicContact CD1-CG1 4.27Å; L149-I153 HydrophobicContact CG-CD1 3.92Å; L149-I153 HydrophobicContact CG-CG1 4.5Å; L149-I153 WeakPolarHBondContact O-CG1 3.29Å; L149-I153 PolarHBondContact O-N 2.88Å |
| 150 | E | 93.5 | Very high | 87.8 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 28% | 0.28 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.4 | -54.1 | 175.6 | -172.8 | 176.6 | 110 | 0 | 0 | 110.6 | I37 K38 V39 R146 Y152 I153 Q154 | I37-E150 HydrophobicContact CG2-CG 4.04Å; I37-E150 WeakPolarHBondContact O-CG 3.46Å; K38-E150 VanDerWaalsContact CA-OE2 3.28Å; K38-E150 WeakPolarHBondContact CA-OE2 3.22Å; V39-E150 HydrophobicContact CB-CB 4.35Å; V39-E150 HydrophobicContact CG2-CB 3.74Å; V39-E150 HydrophobicContact CG2-CG 4.29Å; V39-E150 PolarHBondContact N-OE2 3.35Å; R146-E150 WeakPolarHBondContact O-CB 3.31Å; R146-E150 PolarHBondContact O-N 3.39Å; E150-Y152 VanDerWaalsContact C-N 3.3Å; E150-Y152 PolarHBondContact O-N 3.32Å; E150-I153 PolarHBondContact O-N 3.44Å; E150-Q154 VanDerWaalsContact O-CB 3.24Å; E150-Q154 WeakPolarHBondContact O-CB 3.42Å; E150-Q154 PolarHBondContact O-N 3.34Å |
| 151 | K | 94.8 | Very high | 87.9 | Confident | 118 Ų | 118 | 50.3 Ų | 50.3 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.9 | -37.4 | 177.7 | -73.1 | 178.7 | -179.3 | 179.5 | 0 | 112.7 | N128 V147 M148 S155 | N128-K151 HydrophobicContact CB-CB 4.3Å; N128-K151 PolarHBondContact ND2-O 3.01Å; V147-K151 HydrophobicContact CG1-CD 4.22Å; V147-K151 WeakPolarHBondContact O-CB 3.38Å; V147-K151 WeakPolarHBondContact O-CG 3.28Å; V147-K151 PolarHBondContact O-N 2.94Å; M148-K151 PolarHBondContact O-N 2.94Å; K151-S155 WeakPolarHBondContact O-CB 3.39Å; K151-S155 PolarHBondContact O-N 3.39Å; K151-S155 PolarHBondContact O-OG 3.1Å |
| 152 | Y | 95.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.9 | -57.3 | 175.5 | 174 | -101.7 | 0 | 0 | 0 | 111.1 | F103 H104 N128 F130 M148 L149 E150 Q154 S155 I156 | F103-Y152 HydrophobicContact CE1-CE1 4.25Å; H104-Y152 AromaticContact ND1-CE2 3.9Å; H104-Y152 AromaticContact ND1-CZ 3.44Å; H104-Y152 PolarHBondContact ND1-OH 3.28Å; N128-Y152 WeakPolarHBondContact O-CD2 3.46Å; F130-Y152 HydrophobicContact CB-CD2 4.12Å; F130-Y152 HydrophobicContact CB-CE2 4.04Å; F130-Y152 HydrophobicContact CB-CG 4.49Å; F130-Y152 AromaticContact CD2-CD1 3.8Å; F130-Y152 HydrophobicContact CD2-CD1 3.8Å; F130-Y152 AromaticContact CD2-CE1 3.67Å; F130-Y152 HydrophobicContact CD2-CE1 3.67Å; F130-Y152 HydrophobicContact CD2-CG 4.3Å; F130-Y152 HydrophobicContact CE2-CE1 4.42Å; M148-Y152 VanDerWaalsContact O-CB 3.25Å; M148-Y152 WeakPolarHBondContact O-CB 3.4Å; M148-Y152 PolarHBondContact O-N 3.49Å; L149-Y152 WeakPolarHBondContact O-CB 3.19Å; L149-Y152 PolarHBondContact O-N 3.36Å; E150-Y152 VanDerWaalsContact C-N 3.3Å; E150-Y152 PolarHBondContact O-N 3.32Å; Y152-Q154 PolarHBondContact O-N 2.84Å; Y152-S155 PolarHBondContact O-N 3.4Å; Y152-S155 PolarHBondContact O-OG 3.5Å; Y152-I156 HydrophobicContact CD1-CD1 4.21Å; Y152-I156 HydrophobicContact CE1-CD1 3.55Å; Y152-I156 HydrophobicContact CE2-CD1 4.15Å; Y152-I156 VanDerWaalsContact CZ-CD1 3.49Å; Y152-I156 PolarHBondContact O-N 2.88Å |
| 153 | I | 94.4 | Very high | 89 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.2 | -42.2 | -177.7 | -62 | 172.4 | 0 | 0 | 0 | 110.4 | I37 L82 L100 L149 E150 S155 I156 I157 L171 | I37-I153 HydrophobicContact CD1-CB 3.96Å; I37-I153 HydrophobicContact CD1-CD1 4.11Å; I37-I153 HydrophobicContact CD1-CG2 3.47Å; I37-I153 VanDerWaalsContact CD1-CG2 3.47Å; L82-I153 HydrophobicContact CD1-CD1 4.26Å; L82-I153 HydrophobicContact CD2-CD1 4.27Å; L100-I153 HydrophobicContact CD2-CD1 4.19Å; L149-I153 HydrophobicContact CD1-CD1 3.95Å; L149-I153 HydrophobicContact CD1-CG1 4.27Å; L149-I153 HydrophobicContact CG-CD1 3.92Å; L149-I153 HydrophobicContact CG-CG1 4.5Å; L149-I153 WeakPolarHBondContact O-CG1 3.29Å; L149-I153 PolarHBondContact O-N 2.88Å; E150-I153 PolarHBondContact O-N 3.44Å; I153-S155 VanDerWaalsContact C-N 3.32Å; I153-S155 PolarHBondContact O-N 3.03Å; I153-I156 WeakPolarHBondContact O-CB 3.42Å; I153-I156 PolarHBondContact O-N 3.1Å; I153-I157 HydrophobicContact CG2-CD1 3.68Å; I153-I157 HydrophobicContact CG2-CG1 4.19Å; I153-I157 WeakPolarHBondContact O-CG1 3.29Å; I153-I157 PolarHBondContact O-N 2.95Å; I153-L171 HydrophobicContact CG2-CD2 4.3Å |
| 154 | Q | 95.4 | Very high | 89 | Confident | 36 Ų | 36 | 39.9 Ų | 39.9 | 17% | 0.168 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.4 | -45.9 | 176.2 | -171.1 | 63.4 | 62.3 | 0 | 0 | 111.2 | I35 I37 E150 Y152 I156 I157 D158 | I35-Q154 PolarHBondContact O-NE2 2.95Å; I35-Q154 PolarHBondContact O-OE1 2.95Å; I37-Q154 HydrophobicContact CG2-CB 3.87Å; E150-Q154 VanDerWaalsContact O-CB 3.24Å; E150-Q154 WeakPolarHBondContact O-CB 3.42Å; E150-Q154 PolarHBondContact O-N 3.34Å; Y152-Q154 PolarHBondContact O-N 2.84Å; Q154-I156 PolarHBondContact O-N 3.3Å; Q154-I156 VanDerWaalsContact O-N 3.16Å; Q154-I157 PolarHBondContact O-N 2.93Å; Q154-D158 PolarHBondContact NE2-OD1 2.97Å; Q154-D158 PolarHBondContact O-N 2.95Å |
| 155 | S | 93.7 | Very high | 88.9 | Confident | 14 Ų | 14 | 36 Ų | 36 | 10% | 0.098 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -25.9 | 178.6 | 73.5 | 0 | 0 | 0 | 0 | 114.1 | L127 N128 K151 Y152 I153 | L127-S155 VanDerWaalsContact CD2-O 3.24Å; L127-S155 WeakPolarHBondContact CD2-O 3.41Å; N128-S155 PolarHBondContact N-OG 2.91Å; K151-S155 WeakPolarHBondContact O-CB 3.39Å; K151-S155 PolarHBondContact O-N 3.39Å; K151-S155 PolarHBondContact O-OG 3.1Å; Y152-S155 PolarHBondContact O-N 3.4Å; Y152-S155 PolarHBondContact O-OG 3.5Å; I153-S155 VanDerWaalsContact C-N 3.32Å; I153-S155 PolarHBondContact O-N 3.03Å |
| 156 | I | 93.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -77 | -45.5 | 173.3 | -67.1 | 172.8 | 0 | 0 | 0 | 110.4 | F103 F107 L127 Y152 I153 Q154 D158 V159 Y162 V168 | F103-I156 HydrophobicContact CE1-CD1 3.94Å; F103-I156 HydrophobicContact CZ-CD1 4.2Å; F107-I156 HydrophobicContact CD1-CD1 3.72Å; F107-I156 HydrophobicContact CD1-CG1 4.36Å; F107-I156 HydrophobicContact CD2-CG2 4.35Å; F107-I156 HydrophobicContact CE1-CD1 3.57Å; F107-I156 HydrophobicContact CE1-CG1 3.7Å; F107-I156 HydrophobicContact CE1-CG2 4.31Å; F107-I156 HydrophobicContact CE2-CG2 3.65Å; F107-I156 HydrophobicContact CG-CD1 4.26Å; F107-I156 HydrophobicContact CZ-CB 4.31Å; F107-I156 HydrophobicContact CZ-CD1 4Å; F107-I156 HydrophobicContact CZ-CG1 3.82Å; F107-I156 HydrophobicContact CZ-CG2 3.63Å; L127-I156 HydrophobicContact CD1-CG1 3.99Å; L127-I156 HydrophobicContact CD2-CG1 4.26Å; Y152-I156 HydrophobicContact CD1-CD1 4.21Å; Y152-I156 HydrophobicContact CE1-CD1 3.55Å; Y152-I156 HydrophobicContact CE2-CD1 4.15Å; Y152-I156 VanDerWaalsContact CZ-CD1 3.49Å; Y152-I156 PolarHBondContact O-N 2.88Å; I153-I156 WeakPolarHBondContact O-CB 3.42Å; I153-I156 PolarHBondContact O-N 3.1Å; Q154-I156 PolarHBondContact O-N 3.3Å; Q154-I156 VanDerWaalsContact O-N 3.16Å; I156-D158 VanDerWaalsContact C-N 3.29Å; I156-D158 PolarHBondContact O-N 3.5Å; I156-V159 PolarHBondContact O-N 2.97Å; I156-Y162 WeakPolarHBondContact O-CB 3.37Å; I156-V168 HydrophobicContact CG2-CG2 3.68Å |
| 157 | I | 91.7 | Very high | 88.9 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.9 | -33.7 | -178.4 | -67.1 | 174.2 | 0 | 0 | 0 | 111.7 | I35 L84 I153 Q154 V159 R163 L172 | I35-I157 HydrophobicContact CB-CG2 3.61Å; I35-I157 HydrophobicContact CD1-CG2 3.95Å; I35-I157 HydrophobicContact CG1-CG2 4.35Å; I35-I157 HydrophobicContact CG2-CD1 4.47Å; I35-I157 HydrophobicContact CG2-CG2 3.85Å; L84-I157 HydrophobicContact CD2-CD1 4.4Å; I153-I157 HydrophobicContact CG2-CD1 3.68Å; I153-I157 HydrophobicContact CG2-CG1 4.19Å; I153-I157 WeakPolarHBondContact O-CG1 3.29Å; I153-I157 PolarHBondContact O-N 2.95Å; Q154-I157 PolarHBondContact O-N 2.93Å; I157-V159 PolarHBondContact O-N 2.88Å; I157-R163 HydrophobicContact CG2-CG 4.42Å; I157-R163 WeakPolarHBondContact O-CB 3.33Å; I157-R163 WeakPolarHBondContact O-CD 3.19Å; I157-L172 HydrophobicContact CD1-CD1 3.85Å; I157-L172 HydrophobicContact CD1-CD2 4.04Å; I157-L172 HydrophobicContact CG1-CD1 4.08Å |
| 158 | D | 90.8 | Very high | 88.9 | Confident | 88 Ų | 88 | 35 Ų | 35 | 47% | 0.471 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19 | 179.9 | -67.4 | -21.8 | 0 | 0 | 0 | 113.2 | Q154 I156 | Q154-D158 PolarHBondContact NE2-OD1 2.97Å; Q154-D158 PolarHBondContact O-N 2.95Å; I156-D158 VanDerWaalsContact C-N 3.29Å; I156-D158 PolarHBondContact O-N 3.5Å |
| 159 | V | 88.1 | Confident | 88.8 | Confident | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.03 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -94.2 | 113.5 | 175.6 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | R125 I156 I157 E161 Y162 R163 | R125-V159 HydrophobicContact CB-CG2 4.34Å; I156-V159 PolarHBondContact O-N 2.97Å; I157-V159 PolarHBondContact O-N 2.88Å; V159-E161 VanDerWaalsContact C-N 3.29Å; V159-E161 HydrophobicContact CG1-CB 4.39Å; V159-E161 WeakPolarHBondContact CG1-OE2 3.32Å; V159-E161 PolarHBondContact O-N 2.9Å; V159-Y162 HydrophobicContact CB-CD2 3.4Å; V159-Y162 VanDerWaalsContact CB-CD2 3.4Å; V159-Y162 HydrophobicContact CB-CE2 4.01Å; V159-Y162 HydrophobicContact CB-CG 3.91Å; V159-Y162 HydrophobicContact CG1-CD1 4.36Å; V159-Y162 HydrophobicContact CG1-CD2 3.54Å; V159-Y162 HydrophobicContact CG1-CE2 3.83Å; V159-Y162 HydrophobicContact CG1-CG 3.81Å; V159-Y162 HydrophobicContact CG2-CD2 3.74Å; V159-Y162 HydrophobicContact CG2-CE2 3.98Å; V159-Y162 PolarHBondContact O-N 3.33Å; V159-Y162 VanDerWaalsContact O-N 3.08Å; V159-R163 WeakPolarHBondContact O-CB 3.33Å; V159-R163 PolarHBondContact O-N 3.12Å |
| 160 | R | 81 | Confident | 88.8 | Confident | 124 Ų | 124 | 36.1 Ų | 36.1 | 47% | 0.468 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -54.4 | -44.7 | -175.8 | -178.5 | 179 | 179 | -177.6 | 0.1 | 112.5 | N27 Y162 R163 E164 | N27-R160 PolarHBondContact OD1-NH2 3.47Å; R160-Y162 VanDerWaalsContact C-N 3.27Å; R160-Y162 PolarHBondContact O-N 2.8Å; R160-R163 PolarHBondContact O-N 2.73Å; R160-E164 WeakPolarHBondContact CG-OE1 3.28Å; R160-E164 IonicContact CZ-OE1 3.71Å; R160-E164 IonicContact NE-OE1 2.61Å; R160-E164 PolarHBondContact NE-OE1 2.84Å; R160-E164 VanDerWaalsContact NE-OE1 3.09Å; R160-E164 WeakPolarHBondContact O-CG 3.32Å; R160-E164 PolarHBondContact O-N 3.27Å; R160-E164 VanDerWaalsContact O-N 3.14Å |
| 161 | E | 79.6 | Confident | 88.7 | Confident | 57 Ų | 57 | 33.6 Ų | 33.6 | 27% | 0.266 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61.9 | -36.2 | -178.3 | -65.2 | 74.3 | -165.9 | 0 | 0 | 112 | V159 T165 | V159-E161 VanDerWaalsContact C-N 3.29Å; V159-E161 HydrophobicContact CG1-CB 4.39Å; V159-E161 WeakPolarHBondContact CG1-OE2 3.32Å; V159-E161 PolarHBondContact O-N 2.9Å; E161-T165 WeakPolarHBondContact O-CG2 3.32Å |
| 162 | Y | 87.1 | Confident | 88.6 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -79.4 | -45.4 | 177.8 | -61.9 | -22 | 0 | 0 | 0 | 111.7 | F107 R111 L114 S123 L127 I156 V159 R160 E164 T165 V168 | F107-Y162 HydrophobicContact CE2-CD1 4.27Å; F107-Y162 AromaticContact CE2-CG 4Å; F107-Y162 HydrophobicContact CE2-CG 4Å; F107-Y162 HydrophobicContact CZ-CD1 4.1Å; F107-Y162 AromaticContact CZ-CD2 3.78Å; F107-Y162 HydrophobicContact CZ-CD2 3.78Å; F107-Y162 HydrophobicContact CZ-CE2 4.3Å; F107-Y162 AromaticContact CZ-CG 3.69Å; F107-Y162 HydrophobicContact CZ-CG 3.69Å; R111-Y162 HydrophobicContact CG-CE1 4.28Å; L114-Y162 HydrophobicContact CD1-CD1 4.07Å; L114-Y162 HydrophobicContact CD1-CE1 4.05Å; S123-Y162 PolarHBondContact O-OH 3.48Å; L127-Y162 HydrophobicContact CD1-CE2 4.34Å; L127-Y162 HydrophobicContact CD2-CD2 4.33Å; L127-Y162 HydrophobicContact CD2-CE2 4.13Å; I156-Y162 WeakPolarHBondContact O-CB 3.37Å; V159-Y162 HydrophobicContact CB-CD2 3.4Å; V159-Y162 VanDerWaalsContact CB-CD2 3.4Å; V159-Y162 HydrophobicContact CB-CE2 4.01Å; V159-Y162 HydrophobicContact CB-CG 3.91Å; V159-Y162 HydrophobicContact CG1-CD1 4.36Å; V159-Y162 HydrophobicContact CG1-CD2 3.54Å; V159-Y162 HydrophobicContact CG1-CE2 3.83Å; V159-Y162 HydrophobicContact CG1-CG 3.81Å; V159-Y162 HydrophobicContact CG2-CD2 3.74Å; V159-Y162 HydrophobicContact CG2-CE2 3.98Å; V159-Y162 PolarHBondContact O-N 3.33Å; V159-Y162 VanDerWaalsContact O-N 3.08Å; R160-Y162 VanDerWaalsContact C-N 3.27Å; R160-Y162 PolarHBondContact O-N 2.8Å; Y162-E164 PolarHBondContact O-N 3.29Å; Y162-T165 VanDerWaalsContact O-CB 3.31Å; Y162-T165 WeakPolarHBondContact O-CB 3.33Å; Y162-T165 VanDerWaalsContact O-CG2 3.29Å; Y162-T165 WeakPolarHBondContact O-CG2 3.42Å; Y162-T165 PolarHBondContact O-N 3.05Å; Y162-T165 PolarHBondContact O-OG1 2.98Å; Y162-V168 VanDerWaalsContact O-CG2 3.31Å; Y162-V168 WeakPolarHBondContact O-CG2 3.21Å |
| 163 | R | 86.4 | Confident | 88.5 | Confident | 40 Ų | 40 | 27.9 Ų | 27.9 | 15% | 0.151 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -53.8 | -36.5 | 178.9 | 178.9 | 178.5 | 59.3 | -178.7 | 5.5 | 113 | F29 I35 I157 V159 R160 T165 | F29-R163 HydrophobicContact CD2-CG 3.89Å; F29-R163 HydrophobicContact CE2-CG 3.47Å; F29-R163 VanDerWaalsContact CE2-CG 3.47Å; F29-R163 HydrophobicContact CZ-CG 3.98Å; I35-R163 VanDerWaalsContact CD1-CD 3.43Å; I35-R163 HydrophobicContact CD1-CG 4.29Å; I157-R163 HydrophobicContact CG2-CG 4.42Å; I157-R163 WeakPolarHBondContact O-CB 3.33Å; I157-R163 WeakPolarHBondContact O-CD 3.19Å; V159-R163 WeakPolarHBondContact O-CB 3.33Å; V159-R163 PolarHBondContact O-N 3.12Å; R160-R163 PolarHBondContact O-N 2.73Å; R163-T165 VanDerWaalsContact C-N 3.3Å; R163-T165 PolarHBondContact O-N 3.35Å |
| 164 | E | 79.6 | Confident | 88.3 | Confident | 25 Ų | 25 | 27.7 Ų | 27.7 | 12% | 0.117 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 2.3 | -179 | -66.7 | 175.2 | -168.9 | 0 | 0 | 112.9 | R160 Y162 R261 | R160-E164 WeakPolarHBondContact CG-OE1 3.28Å; R160-E164 IonicContact CZ-OE1 3.71Å; R160-E164 IonicContact NE-OE1 2.61Å; R160-E164 PolarHBondContact NE-OE1 2.84Å; R160-E164 VanDerWaalsContact NE-OE1 3.09Å; R160-E164 WeakPolarHBondContact O-CG 3.32Å; R160-E164 PolarHBondContact O-N 3.27Å; R160-E164 VanDerWaalsContact O-N 3.14Å; Y162-E164 PolarHBondContact O-N 3.29Å; E164-R261 PolarHBondContact O-NH1 2.99Å; E164-R261 PolarHBondContact O-NH2 3.02Å |
| 165 | T | 82.4 | Confident | 87.8 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -70.3 | 149 | 176.5 | 62.1 | 0 | 0 | 0 | 0 | 112.6 | E161 Y162 R163 L167 V168 L169 | E161-T165 WeakPolarHBondContact O-CG2 3.32Å; Y162-T165 VanDerWaalsContact O-CB 3.31Å; Y162-T165 WeakPolarHBondContact O-CB 3.33Å; Y162-T165 VanDerWaalsContact O-CG2 3.29Å; Y162-T165 WeakPolarHBondContact O-CG2 3.42Å; Y162-T165 PolarHBondContact O-N 3.05Å; Y162-T165 PolarHBondContact O-OG1 2.98Å; R163-T165 VanDerWaalsContact C-N 3.3Å; R163-T165 PolarHBondContact O-N 3.35Å; T165-L167 PolarHBondContact O-N 2.85Å; T165-V168 PolarHBondContact O-N 2.78Å; T165-V168 VanDerWaalsContact O-N 3.1Å; T165-V168 VanDerWaalsContact OG1-CG2 3.24Å; T165-V168 WeakPolarHBondContact OG1-CG2 3.45Å; T165-V168 PolarHBondContact OG1-N 3.31Å; T165-L169 WeakPolarHBondContact O-CG 3.49Å; T165-L169 PolarHBondContact O-N 2.93Å |
| 166 | D | 80 | Confident | 87 | Confident | 41 Ų | 41 | 25.6 Ų | 25.6 | 22% | 0.219 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.2 | -36.8 | 176.7 | 177.1 | 59.2 | 0 | 0 | 0 | 112.5 | V168 L169 R170 Q230 | D166-V168 PolarHBondContact O-N 2.76Å; D166-L169 PolarHBondContact O-N 2.87Å; D166-R170 WeakPolarHBondContact O-CB 3.38Å; D166-R170 VanDerWaalsContact O-CG 3.24Å; D166-R170 WeakPolarHBondContact O-CG 3.43Å; D166-R170 PolarHBondContact O-N 3.4Å; D166-R170 IonicContact OD1-CZ 3.47Å; D166-R170 IonicContact OD1-NE 3.11Å; D166-R170 PolarHBondContact OD1-NE 3.15Å; D166-R170 VanDerWaalsContact OD1-NE 3.11Å; D166-R170 IonicContact OD1-NH2 3.26Å; D166-R170 PolarHBondContact OD1-NH2 2.98Å; D166-R170 IonicContact OD2-CZ 2.85Å; D166-R170 IonicContact OD2-NE 3.2Å; D166-R170 PolarHBondContact OD2-NE 3.34Å; D166-R170 IonicContact OD2-NH1 3.35Å; D166-R170 PolarHBondContact OD2-NH1 3.18Å; D166-R170 IonicContact OD2-NH2 2.71Å; D166-R170 PolarHBondContact OD2-NH2 3.16Å; D166-Q230 PolarHBondContact OD1-NE2 3.17Å; D166-Q230 PolarHBondContact OD1-OE1 3.14Å |
| 167 | L | 87.9 | Confident | 86.4 | Confident | 42 Ų | 42 | 26 Ų | 26 | 22% | 0.22 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.1 | -45.2 | 176.1 | -66.5 | -180 | 0 | 0 | 0 | 111.6 | F103 S106 F107 Q110 T165 L171 | F103-L167 HydrophobicContact CD2-CB 4.23Å; F103-L167 HydrophobicContact CE2-CB 3.98Å; S106-L167 VanDerWaalsContact C-CD1 3.44Å; S106-L167 WeakPolarHBondContact O-CD1 3.5Å; F107-L167 HydrophobicContact CB-CD1 4.39Å; Q110-L167 HydrophobicContact CB-CD1 4.25Å; Q110-L167 VanDerWaalsContact OE1-CD1 3.29Å; T165-L167 PolarHBondContact O-N 2.85Å; L167-L171 WeakPolarHBondContact O-CB 3.39Å; L167-L171 PolarHBondContact O-N 2.89Å |
| 168 | V | 90.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.006 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.6 | -43.5 | 179.4 | 177.2 | 0 | 0 | 0 | 0 | 111 | F103 F107 I156 Y162 T165 D166 R170 L171 L172 | F103-V168 HydrophobicContact CE2-CG2 3.98Å; F103-V168 HydrophobicContact CZ-CG2 3.91Å; F107-V168 HydrophobicContact CD2-CG2 4.37Å; F107-V168 HydrophobicContact CE2-CG2 4.37Å; I156-V168 HydrophobicContact CG2-CG2 3.68Å; Y162-V168 VanDerWaalsContact O-CG2 3.31Å; Y162-V168 WeakPolarHBondContact O-CG2 3.21Å; T165-V168 PolarHBondContact O-N 2.78Å; T165-V168 VanDerWaalsContact O-N 3.1Å; T165-V168 VanDerWaalsContact OG1-CG2 3.24Å; T165-V168 WeakPolarHBondContact OG1-CG2 3.45Å; T165-V168 PolarHBondContact OG1-N 3.31Å; D166-V168 PolarHBondContact O-N 2.76Å; V168-R170 VanDerWaalsContact C-N 3.27Å; V168-R170 PolarHBondContact O-N 2.78Å; V168-L171 WeakPolarHBondContact O-CB 3.41Å; V168-L171 PolarHBondContact O-N 3.16Å; V168-L171 VanDerWaalsContact O-N 3.1Å; V168-L172 HydrophobicContact CG1-CD1 3.81Å; V168-L172 HydrophobicContact CG1-CG 4.02Å; V168-L172 WeakPolarHBondContact O-CB 3.44Å; V168-L172 VanDerWaalsContact O-CG 3.32Å; V168-L172 WeakPolarHBondContact O-CG 3.43Å; V168-L172 PolarHBondContact O-N 2.96Å |
| 169 | L | 89.5 | Confident | 85.5 | Confident | 7 Ų | 7 | 22.9 Ų | 22.9 | 4% | 0.037 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59 | -38.7 | 176.2 | -65.9 | -178.4 | 0 | 0 | 0 | 112.3 | V28 F29 T165 D166 E173 V174 | V28-L169 HydrophobicContact CB-CD2 4.45Å; V28-L169 HydrophobicContact CG1-CD2 3.79Å; V28-L169 HydrophobicContact CG2-CD1 4.29Å; F29-L169 HydrophobicContact CE2-CD2 3.68Å; F29-L169 HydrophobicContact CZ-CD2 3.83Å; T165-L169 WeakPolarHBondContact O-CG 3.49Å; T165-L169 PolarHBondContact O-N 2.93Å; D166-L169 PolarHBondContact O-N 2.87Å; L169-E173 WeakPolarHBondContact O-CA 3.44Å; L169-E173 PolarHBondContact O-N 3.15Å; L169-V174 HydrophobicContact CD2-CB 4.08Å; L169-V174 HydrophobicContact CD2-CG1 4.12Å; L169-V174 PolarHBondContact O-N 3.23Å |
| 170 | R | 89.4 | Confident | 84.7 | Confident | 86 Ų | 86 | 23.9 Ų | 23.9 | 33% | 0.325 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -68.9 | -40.5 | 173.2 | -73.1 | -176.8 | -171.5 | 166 | 9.9 | 113.1 | R95 D166 V168 L172 E173 W217 Q230 | R95-R170 PolarHBondContact NH2-O 2.77Å; D166-R170 WeakPolarHBondContact O-CB 3.38Å; D166-R170 VanDerWaalsContact O-CG 3.24Å; D166-R170 WeakPolarHBondContact O-CG 3.43Å; D166-R170 PolarHBondContact O-N 3.4Å; D166-R170 IonicContact OD1-CZ 3.47Å; D166-R170 IonicContact OD1-NE 3.11Å; D166-R170 PolarHBondContact OD1-NE 3.15Å; D166-R170 VanDerWaalsContact OD1-NE 3.11Å; D166-R170 IonicContact OD1-NH2 3.26Å; D166-R170 PolarHBondContact OD1-NH2 2.98Å; D166-R170 IonicContact OD2-CZ 2.85Å; D166-R170 IonicContact OD2-NE 3.2Å; D166-R170 PolarHBondContact OD2-NE 3.34Å; D166-R170 IonicContact OD2-NH1 3.35Å; D166-R170 PolarHBondContact OD2-NH1 3.18Å; D166-R170 IonicContact OD2-NH2 2.71Å; D166-R170 PolarHBondContact OD2-NH2 3.16Å; V168-R170 VanDerWaalsContact C-N 3.27Å; V168-R170 PolarHBondContact O-N 2.78Å; R170-L172 VanDerWaalsContact C-N 3.31Å; R170-L172 PolarHBondContact O-N 2.78Å; R170-E173 PolarHBondContact O-N 3.25Å; R170-W217 HydrophobicContact CG-CH2 4.3Å; R170-W217 HydrophobicContact CG-CZ3 3.95Å; R170-Q230 VanDerWaalsContact NH2-OE1 3.16Å |
| 171 | L | 92.3 | Very high | 83.6 | Confident | 8 Ų | 8 | 19.4 Ų | 19.4 | 4% | 0.042 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.6 | -45.6 | 175.7 | 178.2 | 67.8 | 0 | 0 | 0 | 110.7 | L82 V93 R95 L100 F103 I153 L167 V168 E173 | L82-L171 HydrophobicContact CD1-CD1 4.46Å; V93-L171 WeakPolarHBondContact CG1-O 3.5Å; R95-L171 HydrophobicContact CG-CD1 3.95Å; R95-L171 PolarHBondContact NE-O 3.21Å; R95-L171 PolarHBondContact NH2-O 3.34Å; L100-L171 HydrophobicContact CD2-CD1 3.94Å; F103-L171 HydrophobicContact CD1-CD2 3.91Å; F103-L171 HydrophobicContact CD2-CB 4.07Å; F103-L171 HydrophobicContact CD2-CD2 4.06Å; F103-L171 HydrophobicContact CD2-CG 4.47Å; F103-L171 HydrophobicContact CE1-CD2 3.69Å; F103-L171 HydrophobicContact CE2-CB 4.09Å; F103-L171 HydrophobicContact CE2-CD2 3.84Å; F103-L171 HydrophobicContact CG-CD1 4.4Å; F103-L171 HydrophobicContact CG-CD2 4.09Å; F103-L171 HydrophobicContact CZ-CD2 3.66Å; I153-L171 HydrophobicContact CG2-CD2 4.3Å; L167-L171 WeakPolarHBondContact O-CB 3.39Å; L167-L171 PolarHBondContact O-N 2.89Å; V168-L171 WeakPolarHBondContact O-CB 3.41Å; V168-L171 PolarHBondContact O-N 3.16Å; V168-L171 VanDerWaalsContact O-N 3.1Å; L171-E173 VanDerWaalsContact C-N 3.35Å |
| 172 | L | 93 | Very high | 82.1 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -85.7 | -6.8 | -174.6 | -58.6 | -170.3 | 0 | 0 | 0 | 114.3 | F29 L84 W91 I157 V168 R170 V174 | F29-L172 HydrophobicContact CZ-CD1 4.46Å; L84-L172 HydrophobicContact CD1-CD2 4.39Å; L84-L172 HydrophobicContact CD2-CD1 4.22Å; L84-L172 HydrophobicContact CD2-CD2 3.65Å; L84-L172 HydrophobicContact CD2-CG 4.36Å; W91-L172 PolarHBondContact NE1-O 2.84Å; I157-L172 HydrophobicContact CD1-CD1 3.85Å; I157-L172 HydrophobicContact CD1-CD2 4.04Å; I157-L172 HydrophobicContact CG1-CD1 4.08Å; V168-L172 HydrophobicContact CG1-CD1 3.81Å; V168-L172 HydrophobicContact CG1-CG 4.02Å; V168-L172 WeakPolarHBondContact O-CB 3.44Å; V168-L172 VanDerWaalsContact O-CG 3.32Å; V168-L172 WeakPolarHBondContact O-CG 3.43Å; V168-L172 PolarHBondContact O-N 2.96Å; R170-L172 VanDerWaalsContact C-N 3.31Å; R170-L172 PolarHBondContact O-N 2.78Å; L172-V174 HydrophobicContact CB-CG2 3.78Å |
| 173 | E | 92.9 | Very high | 80 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 65.7 | -172.1 | -57.5 | -175.7 | 172.9 | 0 | 0 | 110 | V93 R95 L169 R170 L171 K187 K189 E190 R308 | V93-E173 HydrophobicContact CG1-CG 3.91Å; V93-E173 HydrophobicContact CG2-CB 4.27Å; V93-E173 HydrophobicContact CG2-CG 4.15Å; R95-E173 IonicContact CZ-OE1 2.73Å; R95-E173 IonicContact NH1-OE1 3.59Å; R95-E173 PolarHBondContact NH1-OE1 2.66Å; R95-E173 IonicContact NH2-OE1 3.76Å; R95-E173 PolarHBondContact NH2-OE1 2.97Å; L169-E173 WeakPolarHBondContact O-CA 3.44Å; L169-E173 PolarHBondContact O-N 3.15Å; R170-E173 PolarHBondContact O-N 3.25Å; L171-E173 VanDerWaalsContact C-N 3.35Å; E173-K187 WeakPolarHBondContact O-CE 3.47Å; E173-K187 PolarHBondContact O-NZ 2.84Å; E173-K189 IonicContact OE1-NZ 2.7Å; E173-K189 PolarHBondContact OE1-NZ 2.85Å; E173-K189 WeakPolarHBondContact OE2-CD 3.26Å; E173-K189 WeakPolarHBondContact OE2-CE 3.24Å; E173-K189 IonicContact OE2-NZ 3.73Å; E173-K189 PolarHBondContact OE2-NZ 3.19Å; E173-E190 HydrophobicContact CB-CG 3.81Å; E173-E190 WeakPolarHBondContact CB-O 2.81Å; E173-E190 WeakPolarHBondContact CG-O 3.07Å; E173-E190 WeakPolarHBondContact O-CG 3.37Å; E173-R308 IonicContact OE1-NH1 3.09Å |
| 174 | V | 89.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -130.4 | 139 | -179.1 | 180 | 0 | 0 | 0 | 0 | 110 | V28 F29 W91 L169 L172 S178 F179 | V28-V174 HydrophobicContact CG1-CG1 3.36Å; F29-V174 HydrophobicContact CE1-CB 4.43Å; F29-V174 HydrophobicContact CE1-CG1 3.86Å; F29-V174 HydrophobicContact CE1-CG2 4.08Å; F29-V174 HydrophobicContact CZ-CB 4.28Å; F29-V174 HydrophobicContact CZ-CG1 3.89Å; F29-V174 HydrophobicContact CZ-CG2 4.25Å; W91-V174 HydrophobicContact CZ2-CG2 3.84Å; L169-V174 HydrophobicContact CD2-CB 4.08Å; L169-V174 HydrophobicContact CD2-CG1 4.12Å; L169-V174 PolarHBondContact O-N 3.23Å; L172-V174 HydrophobicContact CB-CG2 3.78Å; V174-S178 WeakPolarHBondContact CA-OG 3.2Å; V174-F179 HydrophobicContact CG1-CE2 3.66Å; V174-F179 HydrophobicContact CG1-CZ 4.23Å; V174-F179 HydrophobicContact CG2-CZ 4.31Å | ||
| 175 | S | 84.8 | Confident | 77.1 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -135 | 172 | 177.9 | 70.7 | 0 | 0 | 0 | 0 | 110.7 | L177 S178 E190 I219 | S175-L177 PolarHBondContact O-N 3.21Å; S175-L177 PolarHBondContact OG-N 3.46Å; S175-S178 PolarHBondContact N-OG 3.48Å; S175-S178 PolarHBondContact O-N 3.15Å; S175-S178 VanDerWaalsContact O-N 3.12Å; S175-S178 PolarHBondContact O-OG 2.73Å; S175-S178 PolarHBondContact OG-OG 3.41Å; S175-E190 WeakPolarHBondContact CB-OE2 3.45Å; S175-E190 PolarHBondContact N-OE2 2.96Å; S175-E190 PolarHBondContact OG-OE2 3.13Å; S175-I219 WeakPolarHBondContact OG-CD1 3.48Å | ||
| 176 | P | 77.8 | Confident | 76.3 | Confident | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.039 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -18.9 | 175.9 | -23.3 | 32.7 | 0 | 0 | 0 | 114.7 | V180 M228 I254 L256 W263 | P176-V180 WeakPolarHBondContact O-CG2 3.36Å; P176-M228 HydrophobicContact CG-CE 4.4Å; P176-I254 HydrophobicContact CB-CD1 3.99Å; P176-I254 HydrophobicContact CB-CG2 3.55Å; P176-I254 HydrophobicContact CG-CD1 4.48Å; P176-I254 HydrophobicContact CG-CG2 3.81Å; P176-L256 HydrophobicContact CB-CD2 4.12Å; P176-L256 HydrophobicContact CG-CD1 4.04Å; P176-L256 HydrophobicContact CG-CD2 4.05Å; P176-L256 HydrophobicContact CG-CG 4.19Å; P176-W263 HydrophobicContact CG-CB 4.21Å; P176-W263 HydrophobicContact CG-CD2 4.09Å; P176-W263 HydrophobicContact CG-CG 3.75Å |
| 177 | L | 80.5 | Confident | 76.6 | Confident | 9 Ų | 9 | 30.2 Ų | 30.2 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | -0.7 | -178.8 | -62.8 | -179 | 0 | 0 | 0 | 113 | Y23 S175 F179 V180 I219 K221 V226 M228 I254 L725 | Y23-L177 HydrophobicContact CD1-CD2 3.87Å; S175-L177 PolarHBondContact O-N 3.21Å; S175-L177 PolarHBondContact OG-N 3.46Å; L177-F179 VanDerWaalsContact C-N 3.27Å; L177-F179 PolarHBondContact O-N 2.81Å; L177-V180 HydrophobicContact CD2-CB 4.33Å; L177-V180 HydrophobicContact CD2-CG1 4.48Å; L177-V180 PolarHBondContact O-N 2.81Å; L177-I219 HydrophobicContact CB-CD1 3.92Å; L177-I219 HydrophobicContact CD1-CD1 4.28Å; L177-K221 WeakPolarHBondContact O-CE 3.4Å; L177-K221 PolarHBondContact O-NZ 3.07Å; L177-V226 HydrophobicContact CD1-CG1 3.94Å; L177-M228 HydrophobicContact CD1-CE 4.36Å; L177-M228 HydrophobicContact CD1-SD 3.65Å; L177-M228 HydrophobicContact CG-CE 4.41Å; L177-M228 HydrophobicContact CG-SD 4.12Å; L177-I254 HydrophobicContact CD2-CD1 4.26Å; L177-I254 HydrophobicContact CG-CD1 4.38Å; L177-L725 HydrophobicContact CD1-CD1 4.18Å; L177-L725 HydrophobicContact CD2-CD1 4.44Å |
| 178 | S | 84.4 | Confident | 76.5 | Confident | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -44.6 | -177.2 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | V174 S175 E190 K221 | V174-S178 WeakPolarHBondContact CA-OG 3.2Å; S175-S178 PolarHBondContact N-OG 3.48Å; S175-S178 PolarHBondContact O-N 3.15Å; S175-S178 VanDerWaalsContact O-N 3.12Å; S175-S178 PolarHBondContact O-OG 2.73Å; S175-S178 PolarHBondContact OG-OG 3.41Å; S178-E190 WeakPolarHBondContact CB-OE1 3.41Å; S178-E190 VanDerWaalsContact OG-CD 3.23Å; S178-E190 PolarHBondContact OG-OE1 2.77Å; S178-E190 PolarHBondContact OG-OE2 3.01Å; S178-K221 PolarHBondContact O-NZ 2.77Å |
| 179 | F | 79.2 | Confident | 76.5 | Confident | 22 Ų | 22 | 30.1 Ų | 30.1 | 10% | 0.096 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 22 | -174.5 | -44 | -70.2 | 0 | 0 | 0 | 112.5 | V28 F29 H86 F89 W91 V174 L177 K187 | V28-F179 VanDerWaalsContact O-CD2 3.27Å; V28-F179 WeakPolarHBondContact O-CD2 3.41Å; F29-F179 HydrophobicContact CD1-CD2 4.48Å; F29-F179 AromaticContact CD1-CE2 3.61Å; F29-F179 HydrophobicContact CD1-CE2 3.61Å; F29-F179 HydrophobicContact CD1-CZ 4.17Å; F29-F179 AromaticContact CE1-CE2 3.87Å; F29-F179 HydrophobicContact CE1-CE2 3.87Å; F29-F179 HydrophobicContact CE1-CZ 4.21Å; H86-F179 HydrophobicContact CB-CE1 4.42Å; H86-F179 AromaticContact CD2-CE1 3.88Å; H86-F179 AromaticContact CD2-CE2 3.99Å; H86-F179 AromaticContact CD2-CZ 3.83Å; F89-F179 HydrophobicContact CB-CD1 4.16Å; F89-F179 HydrophobicContact CB-CE1 4.09Å; F89-F179 HydrophobicContact CD1-CD1 4.11Å; F89-F179 AromaticContact CD2-CD1 3.71Å; F89-F179 HydrophobicContact CD2-CD1 3.71Å; F89-F179 HydrophobicContact CD2-CE1 4.41Å; F89-F179 HydrophobicContact CE1-CD1 4.47Å; F89-F179 HydrophobicContact CE2-CB 4.23Å; F89-F179 HydrophobicContact CE2-CD1 4.11Å; F89-F179 AromaticContact CG-CD1 3.71Å; F89-F179 HydrophobicContact CG-CD1 3.71Å; F89-F179 HydrophobicContact CG-CE1 4.17Å; F89-F179 HydrophobicContact CZ-CB 4.38Å; F89-F179 HydrophobicContact CZ-CD1 4.47Å; W91-F179 HydrophobicContact CH2-CE1 4.03Å; W91-F179 AromaticContact CH2-CZ 3.73Å; W91-F179 HydrophobicContact CH2-CZ 3.73Å; W91-F179 HydrophobicContact CZ2-CZ 4.42Å; W91-F179 AromaticContact CZ3-CE1 3.88Å; W91-F179 HydrophobicContact CZ3-CE1 3.88Å; W91-F179 HydrophobicContact CZ3-CZ 4.08Å; V174-F179 HydrophobicContact CG1-CE2 3.66Å; V174-F179 HydrophobicContact CG1-CZ 4.23Å; V174-F179 HydrophobicContact CG2-CZ 4.31Å; L177-F179 VanDerWaalsContact C-N 3.27Å; L177-F179 PolarHBondContact O-N 2.81Å; F179-K187 HydrophobicContact CD1-CD 4.49Å; F179-K187 HydrophobicContact CE1-CD 3.7Å; F179-K187 HydrophobicContact CZ-CD 4.11Å |
| 180 | V | 70.1 | Confident | 76.7 | Confident | 26 Ų | 26 | 29.9 Ų | 29.9 | 16% | 0.158 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -112.7 | 146.2 | 178 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | Y23 P176 L177 C182 K221 | Y23-V180 HydrophobicContact CD1-CG1 3.9Å; Y23-V180 HydrophobicContact CE1-CG1 4.25Å; P176-V180 WeakPolarHBondContact O-CG2 3.36Å; L177-V180 HydrophobicContact CD2-CB 4.33Å; L177-V180 HydrophobicContact CD2-CG1 4.48Å; L177-V180 PolarHBondContact O-N 2.81Å; V180-C182 PolarHBondContact O-N 3.38Å; V180-C182 VanDerWaalsContact O-N 3.14Å; V180-K221 PolarHBondContact O-NZ 2.92Å |
| 181 | N | 57.4 | Low | 76.8 | Confident | 31 Ų | 31 | 26.2 Ų | 26.2 | 17% | 0.166 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 62.6 | 8.4 | 174.3 | -88.3 | 19.5 | 0 | 0 | 0 | 117 | P726 | N181-P726 PolarHBondContact ND2-O 3.18Š|
| 182 | C | 49.5 | Very low | 76.7 | Confident | 30 Ų | 30 | 26.9 Ų | 26.9 | 20% | 0.203 | 15% | 0.148 | C | C | . | . | trans | -90.1 | 107 | 173 | -54.3 | 0 | 0 | 0 | 0 | 108.5 | F89 V180 G184 L186 K221 | F89-C182 HydrophobicContact CE1-CB 4.22Å; V180-C182 PolarHBondContact O-N 3.38Å; V180-C182 VanDerWaalsContact O-N 3.14Å; C182-G184 WeakPolarHBondContact CB-O 3.24Å; C182-G184 PolarHBondContact O-N 3.33Å; C182-L186 PolarHBondContact SG-O 3.21Å; C182-K221 PolarHBondContact SG-NZ 3.06Å | ||
| 183 | S | 43.1 | Very low | 76.6 | Confident | 77 Ų | 77 | 27 Ų | 27 | 54% | 0.538 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -78.7 | 37.1 | 165.5 | -53.7 | 0 | 0 | 0 | 0 | 110.8 | H728 | S183-H728 VanDerWaalsContact CB-CB 3.43Å; S183-H728 WeakPolarHBondContact CB-CD2 3.19Å; S183-H728 PolarHBondContact N-CD2 3.17Å; S183-H728 PolarHBondContact N-NE2 3.4Å; S183-H728 WeakPolarHBondContact OG-CB 3.42Å; S183-H728 PolarHBondContact OG-CD2 3.21Å |
| 184 | G | 47.8 | Very low | 76.5 | Confident | 38 Ų | 38 | 28.2 Ų | 28.2 | 39% | 0.392 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -162.4 | 156.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 108 | C182 L186 | C182-G184 WeakPolarHBondContact CB-O 3.24Å; C182-G184 PolarHBondContact O-N 3.33Å; G184-L186 PolarHBondContact O-N 3.29Å |
| 185 | R | 56.4 | Low | 76.1 | Confident | 167 Ų | 167 | 30.1 Ų | 30.1 | 63% | 0.63 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -64.4 | 21 | 179.1 | -55.2 | -165.5 | 165 | 159.6 | -9.1 | 114.1 | D88 K187 | D88-R185 HydrophobicContact CB-CB 4.47Å; D88-R185 HydrophobicContact CB-CG 3.83Å; D88-R185 WeakPolarHBondContact O-CB 3.34Å; D88-R185 WeakPolarHBondContact O-CD 3.17Å; D88-R185 IonicContact OD1-CZ 3.59Å; D88-R185 IonicContact OD1-NE 3.43Å; D88-R185 IonicContact OD1-NH2 3.61Å; D88-R185 PolarHBondContact OD1-NH2 3.18Å; D88-R185 IonicContact OD2-CZ 3.77Å; D88-R185 IonicContact OD2-NE 3.08Å; D88-R185 PolarHBondContact OD2-NE 3.14Å; D88-R185 IonicContact OD2-NH2 2.82Å; D88-R185 PolarHBondContact OD2-NH2 2.93Å; R185-K187 PolarHBondContact O-N 3.11Å |
| 186 | L | 66.7 | Low | 75.6 | Confident | 68 Ų | 68 | 33 Ų | 33 | 36% | 0.356 | 18% | 0.179 | S | C | . | . | trans | -96.9 | 97.2 | -159.1 | -145.6 | 89.8 | 0 | 0 | 0 | 110.8 | C182 G184 L188 D222 | C182-L186 PolarHBondContact SG-O 3.21Å; G184-L186 PolarHBondContact O-N 3.29Å; L186-L188 HydrophobicContact CD1-CD2 4.49Å; L186-L188 HydrophobicContact CD2-CD1 3.76Å; L186-L188 HydrophobicContact CD2-CD2 3.85Å; L186-L188 HydrophobicContact CD2-CG 3.75Å; L186-L188 HydrophobicContact CG-CD2 3.9Å; L186-L188 HydrophobicContact CG-CG 4.03Å; L186-D222 HydrophobicContact CD2-CB 4.1Å | ||
| 187 | K | 84.7 | Confident | 74.8 | Confident | 13 Ų | 13 | 34.2 Ų | 34.2 | 6% | 0.057 | 19% | 0.187 | C | C | . | . | trans | -105.6 | 106.7 | 160 | -179.6 | -179.1 | 175 | -54.1 | 0 | 108.1 | F89 W91 E173 F179 R185 E190 | F89-K187 HydrophobicContact CD1-CB 4.22Å; W91-K187 HydrophobicContact CB-CD 4.36Å; W91-K187 HydrophobicContact CB-CG 4.39Å; W91-K187 HydrophobicContact CD2-CD 3.43Å; W91-K187 VanDerWaalsContact CD2-CD 3.43Å; W91-K187 HydrophobicContact CD2-CG 4.37Å; W91-K187 HydrophobicContact CE3-CD 3.57Å; W91-K187 HydrophobicContact CG-CD 3.8Å; W91-K187 HydrophobicContact CG-CG 4.31Å; W91-K187 HydrophobicContact CH2-CD 4.26Å; W91-K187 HydrophobicContact CZ2-CD 4.14Å; W91-K187 HydrophobicContact CZ3-CD 3.99Å; E173-K187 WeakPolarHBondContact O-CE 3.47Å; E173-K187 PolarHBondContact O-NZ 2.84Å; F179-K187 HydrophobicContact CD1-CD 4.49Å; F179-K187 HydrophobicContact CE1-CD 3.7Å; F179-K187 HydrophobicContact CZ-CD 4.11Å; R185-K187 PolarHBondContact O-N 3.11Å; K187-E190 WeakPolarHBondContact CE-OE1 3.4Å; K187-E190 IonicContact NZ-OE1 3.52Å; K187-E190 PolarHBondContact NZ-OE1 2.89Å | ||
| 188 | L | 86.4 | Confident | 73.6 | Confident | 36 Ų | 36 | 38.4 Ų | 38.4 | 19% | 0.188 | 22% | 0.217 | C | C | . | . | trans | -87.5 | -145.5 | 177.4 | -57.8 | 171 | 0 | 0 | 0 | 110.1 | L186 L220 H319 | L186-L188 HydrophobicContact CD1-CD2 4.49Å; L186-L188 HydrophobicContact CD2-CD1 3.76Å; L186-L188 HydrophobicContact CD2-CD2 3.85Å; L186-L188 HydrophobicContact CD2-CG 3.75Å; L186-L188 HydrophobicContact CG-CD2 3.9Å; L186-L188 HydrophobicContact CG-CG 4.03Å; L188-L220 HydrophobicContact CB-CB 4.48Å; L188-L220 HydrophobicContact CB-CD2 4.3Å; L188-L220 HydrophobicContact CB-CG 4.21Å; L188-L220 HydrophobicContact CD1-CD2 4.23Å; L188-L220 HydrophobicContact CD1-CG 3.86Å; L188-H319 WeakPolarHBondContact CD1-CE1 3.4Å; L188-H319 WeakPolarHBondContact CD1-NE2 3.46Å | ||
| 189 | K | 91.8 | Very high | 71.9 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 2% | 0.022 | 25% | 0.245 | C | C | . | . | trans | -82.6 | 136.6 | 180 | -170.1 | 64.5 | 172.7 | 92.7 | 0 | 111.9 | E173 D191 L220 E311 W312 I315 | E173-K189 IonicContact OE1-NZ 2.7Å; E173-K189 PolarHBondContact OE1-NZ 2.85Å; E173-K189 WeakPolarHBondContact OE2-CD 3.26Å; E173-K189 WeakPolarHBondContact OE2-CE 3.24Å; E173-K189 IonicContact OE2-NZ 3.73Å; E173-K189 PolarHBondContact OE2-NZ 3.19Å; K189-D191 IonicContact NZ-OD2 3.38Å; K189-D191 PolarHBondContact NZ-OD2 3.48Å; K189-L220 WeakPolarHBondContact O-CB 3.36Å; K189-L220 PolarHBondContact O-N 2.96Å; K189-E311 VanDerWaalsContact CE-OE1 3.25Å; K189-E311 WeakPolarHBondContact CE-OE1 3.28Å; K189-W312 HydrophobicContact CB-CE3 4.46Å; K189-W312 HydrophobicContact CB-CH2 3.92Å; K189-W312 HydrophobicContact CB-CZ2 4.41Å; K189-W312 HydrophobicContact CB-CZ3 3.95Å; K189-W312 HydrophobicContact CG-CD2 4.15Å; K189-W312 HydrophobicContact CG-CE3 4.17Å; K189-W312 HydrophobicContact CG-CH2 3.7Å; K189-W312 HydrophobicContact CG-CZ2 3.68Å; K189-W312 HydrophobicContact CG-CZ3 3.95Å; K189-I315 HydrophobicContact CB-CD1 3.75Å; K189-I315 HydrophobicContact CB-CG2 4.27Å; K189-I315 HydrophobicContact CD-CD1 3.69Å; K189-I315 HydrophobicContact CG-CD1 3.87Å | ||
| 190 | E | 92.7 | Very high | 70 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 1% | 0.014 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 151.2 | 161.7 | 62.3 | -169.3 | 131.8 | 0 | 0 | 110.3 | E173 S175 S178 K187 W217 L218 I219 | E173-E190 HydrophobicContact CB-CG 3.81Å; E173-E190 WeakPolarHBondContact CB-O 2.81Å; E173-E190 WeakPolarHBondContact CG-O 3.07Å; E173-E190 WeakPolarHBondContact O-CG 3.37Å; S175-E190 WeakPolarHBondContact CB-OE2 3.45Å; S175-E190 PolarHBondContact N-OE2 2.96Å; S175-E190 PolarHBondContact OG-OE2 3.13Å; S178-E190 WeakPolarHBondContact CB-OE1 3.41Å; S178-E190 VanDerWaalsContact OG-CD 3.23Å; S178-E190 PolarHBondContact OG-OE1 2.77Å; S178-E190 PolarHBondContact OG-OE2 3.01Å; K187-E190 WeakPolarHBondContact CE-OE1 3.4Å; K187-E190 IonicContact NZ-OE1 3.52Å; K187-E190 PolarHBondContact NZ-OE1 2.89Å; E190-W217 HydrophobicContact CG-CZ2 4.04Å; E190-W217 PolarHBondContact OE2-NE1 3.46Å; E190-L218 CarbonylContact C-O 3.57Å; E190-L218 WeakPolarHBondContact CA-O 3.44Å; E190-L218 WeakPolarHBondContact CB-O 3.15Å; E190-I219 HydrophobicContact CB-CB 4.3Å; E190-I219 HydrophobicContact CB-CG1 4.13Å; E190-I219 HydrophobicContact CB-CG2 4.21Å |
| 191 | D | 91.9 | Very high | 68.5 | Low | 9 Ų | 9 | 60.5 Ų | 60.5 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 154.4 | -177.6 | -150.8 | -18.8 | 0 | 0 | 0 | 111.6 | K189 V193 W217 L218 W312 | K189-D191 IonicContact NZ-OD2 3.38Å; K189-D191 PolarHBondContact NZ-OD2 3.48Å; D191-V193 HydrophobicContact CB-CG1 4.37Å; D191-W217 CarbonylContact O-C 3.52Å; D191-W217 WeakPolarHBondContact O-CA 3.5Å; D191-L218 PolarHBondContact N-O 3.25Å; D191-L218 PolarHBondContact O-N 3.3Å; D191-W312 HydrophobicContact CB-CZ2 4.05Å |
| 192 | C | 90.4 | Very high | 67.7 | Low | 21 Ų | 21 | 68 Ų | 68 | 14% | 0.142 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 139.6 | 159.2 | -172.9 | 0 | 0 | 0 | 0 | 107.6 | R216 W217 Q304 | C192-R216 CarbonylContact C-O 3.57Å; C192-R216 WeakPolarHBondContact CA-O 3.16Å; C192-W217 HydrophobicContact CB-CE3 3.89Å; C192-W217 HydrophobicContact CB-CZ3 3.83Å; C192-Q304 VanDerWaalsContact C-NE2 3.27Å; C192-Q304 PolarHBondContact O-NE2 3.2Å; C192-Q304 PolarHBondContact O-OE1 3.44Å |
| 193 | V | 91.1 | Very high | 67.1 | Low | 4 Ų | 4 | 72.7 Ų | 72.7 | 2% | 0.024 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 166.5 | 175.6 | -62.4 | 0 | 0 | 0 | 0 | 109.3 | D191 R216 L218 V301 | D191-V193 HydrophobicContact CB-CG1 4.37Å; V193-R216 HydrophobicContact CG2-CB 4.19Å; V193-R216 PolarHBondContact N-O 3.2Å; V193-R216 PolarHBondContact O-N 3.33Å; V193-R216 VanDerWaalsContact O-O 3.04Å; V193-L218 HydrophobicContact CG1-CB 4.16Å; V193-L218 HydrophobicContact CG1-CD2 4.45Å; V193-L218 HydrophobicContact CG2-CB 3.71Å; V193-V301 HydrophobicContact CB-CG1 3.32Å; V193-V301 HydrophobicContact CG1-CG1 3.69Å; V193-V301 HydrophobicContact CG2-CG1 3.41Å; V193-V301 VanDerWaalsContact CG2-CG1 3.41Å |
| 194 | N | 89.7 | Confident | 67.1 | Low | 25 Ų | 25 | 76.2 Ų | 76.2 | 13% | 0.134 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 150.4 | 177.7 | -69.1 | -50.5 | 0 | 0 | 0 | 111.7 | L213 I302 | N194-L213 HydrophobicContact CB-CB 4.04Å; N194-L213 HydrophobicContact CB-CD1 4.12Å; N194-L213 HydrophobicContact CB-CD2 4.21Å; N194-L213 HydrophobicContact CB-CG 4.35Å; N194-I302 HydrophobicContact CB-CB 3.95Å; N194-I302 HydrophobicContact CB-CG2 4.31Å; N194-I302 WeakPolarHBondContact CB-O 2.87Å; N194-I302 PolarHBondContact N-O 2.86Å; N194-I302 PolarHBondContact O-N 3.47Å |
| 195 | K | 82.9 | Confident | 66.9 | Low | 41 Ų | 41 | 79.4 Ų | 79.4 | 18% | 0.178 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 142.6 | 171.5 | -160.7 | -172.1 | 178.8 | 171.8 | 0 | 110.8 | Q214 R216 | K195-Q214 PolarHBondContact N-O 3.27Å; K195-Q214 PolarHBondContact O-N 2.92Å; K195-R216 HydrophobicContact CB-CG 4.43Å |
| 196 | L | 72.6 | Confident | 66.3 | Low | 60 Ų | 60 | 74.6 Ų | 74.6 | 31% | 0.314 | 38% | 0.378 | S | S | . | . | trans | -65 | 139.9 | 164.8 | -65.4 | 172.5 | 0 | 0 | 0 | 110.3 | L213 I302 | L196-L213 HydrophobicContact CD2-CD2 4.13Å; L196-I302 HydrophobicContact CD1-CD1 4.45Å; L196-I302 HydrophobicContact CD2-CD1 3.67Å; L196-I302 HydrophobicContact CG-CD1 3.69Å | ||
| 197 | P | 62 | Low | 65.3 | Low | 31 Ų | 31 | 74 Ų | 74 | 20% | 0.201 | 38% | 0.379 | C | S | . | . | trans | -55.9 | 145 | 166.8 | -16.9 | 27.6 | 0 | 0 | 0 | 110.4 | Y199 C212 | P197-Y199 HydrophobicContact CB-CD2 3.69Å; P197-Y199 HydrophobicContact CB-CE2 4.47Å; P197-Y199 PolarHBondContact O-N 3.26Å; P197-C212 WeakPolarHBondContact CD-O 3.37Å; P197-C212 HydrophobicContact CG-CB 3.87Å; P197-C212 WeakPolarHBondContact CG-O 3.09Å | ||
| 198 | S | 55.7 | Low | 63.6 | Low | 97 Ų | 97 | 78.3 Ų | 78.3 | 68% | 0.678 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -71 | 23.8 | 174.9 | -59.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 199 | Y | 47.1 | Very low | 61.9 | Low | 155 Ų | 155 | 79.8 Ų | 79.8 | 61% | 0.608 | 42% | 0.419 | S | S | * | . | trans | -83.7 | 124.9 | -178.3 | -78.8 | -96.8 | 0 | 0 | 0 | 110.7 | P197 Y201 K710 | P197-Y199 HydrophobicContact CB-CD2 3.69Å; P197-Y199 HydrophobicContact CB-CE2 4.47Å; P197-Y199 PolarHBondContact O-N 3.26Å; Y199-Y201 VanDerWaalsContact C-N 3.32Å; Y199-K710 PolarHBondContact OH-NZ 3.43Å | ||
| 200 | N | 39.4 | Very low | 60.1 | Low | 165 Ų | 165 | 81 Ų | 81 | 88% | 0.882 | 43% | 0.433 | S | S | * | . | trans | -91.5 | 30.3 | 171.6 | -91.1 | 0.3 | 0 | 0 | 0 | 112.5 | ||||
| 201 | Y | 38.4 | Very low | 58.2 | Low | 194 Ų | 194 | 87.7 Ų | 87.7 | 76% | 0.761 | 47% | 0.468 | S | S | * | . | trans | -87.1 | 130 | 173.5 | -97.1 | -86.8 | 0 | 0 | 0 | 110.8 | Y199 N203 | Y199-Y201 VanDerWaalsContact C-N 3.32Å; Y201-N203 PolarHBondContact O-N 3.16Å | ||
| 202 | F | 40.6 | Very low | 56.9 | Low | 190 Ų | 190 | 89.7 Ų | 89.7 | 83% | 0.833 | 48% | 0.482 | S | S | * | . | trans | -53.4 | 8.7 | 173.4 | -101.5 | -101.6 | 0 | 0 | 0 | 116.1 | K204 | F202-K204 PolarHBondContact O-N 3.07Š| ||
| 203 | N | 37.1 | Very low | 56.1 | Low | 128 Ų | 128 | 91 Ų | 91 | 68% | 0.684 | 49% | 0.487 | S | S | * | . | trans | -83.5 | 84.1 | 175.4 | -80.5 | -9.7 | 0 | 0 | 0 | 111 | Y201 C205 | Y201-N203 PolarHBondContact O-N 3.16Å; N203-C205 PolarHBondContact O-N 3.14Å; N203-C205 VanDerWaalsContact O-N 3.08Å | ||
| 204 | K | 43.3 | Very low | 55.6 | Low | 150 Ų | 150 | 94.7 Ų | 94.7 | 65% | 0.652 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -7.5 | 176.3 | -76.3 | 176.5 | 178.5 | 166.7 | 0 | 115.2 | F202 | F202-K204 PolarHBondContact O-N 3.07Š|
| 205 | C | 44.5 | Very low | 55.4 | Low | 106 Ų | 106 | 100.1 Ų | 100.1 | 72% | 0.716 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -47.8 | -171.1 | -172.8 | 0 | 0 | 0 | 0 | 114 | N203 C207 | N203-C205 PolarHBondContact O-N 3.14Å; N203-C205 VanDerWaalsContact O-N 3.08Å; C205-C207 PolarHBondContact O-N 2.66Å |
| 206 | C | 43.5 | Very low | 55.6 | Low | 65 Ų | 65 | 99.6 Ų | 99.6 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -17.8 | -170.4 | -56.2 | 0 | 0 | 0 | 0 | 114.9 | V208 S209 C212 | C206-V208 VanDerWaalsContact C-N 3.35Å; C206-S209 PolarHBondContact O-OG 2.7Å; C206-C212 VanDerWaalsContact CB-SG 3.55Å |
| 207 | C | 45.4 | Very low | 56.5 | Low | 57 Ų | 57 | 97.1 Ų | 97.1 | 39% | 0.385 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -25.5 | -179.2 | -59.3 | 0 | 0 | 0 | 0 | 113.1 | C205 Q287 | C205-C207 PolarHBondContact O-N 2.66Å; C207-Q287 PolarHBondContact O-NE2 3.16Å; C207-Q287 VanDerWaalsContact O-NE2 3.14Å |
| 208 | V | 50.1 | Low | 58 | Low | 102 Ų | 102 | 95.7 Ų | 95.7 | 62% | 0.618 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -38.6 | 177.4 | -175.7 | 0 | 0 | 0 | 0 | 110.5 | C206 G210 | C206-V208 VanDerWaalsContact C-N 3.35Å; V208-G210 VanDerWaalsContact C-N 3.29Å; V208-G210 PolarHBondContact O-N 3.3Å |
| 209 | S | 50.7 | Low | 59.7 | Low | 67 Ų | 67 | 91.3 Ų | 91.3 | 47% | 0.469 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -73.9 | -6.9 | -177.9 | 68.2 | 0 | 0 | 0 | 0 | 116 | C206 I211 | C206-S209 PolarHBondContact O-OG 2.7Å; S209-I211 PolarHBondContact O-N 3.11Å; S209-I211 WeakPolarHBondContact OG-CD1 3.18Å; S209-I211 VanDerWaalsContact OG-CG1 3.31Å; S209-I211 WeakPolarHBondContact OG-CG1 2.92Å |
| 210 | G | 53.3 | Low | 61.9 | Low | 31 Ų | 31 | 84 Ų | 84 | 32% | 0.32 | 44% | 0.441 | S | S | . | . | S | Bend | trans | 70.6 | -10 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | V208 C212 L213 | V208-G210 VanDerWaalsContact C-N 3.29Å; V208-G210 PolarHBondContact O-N 3.3Å; G210-C212 PolarHBondContact O-N 3.3Å; G210-C212 VanDerWaalsContact O-N 3.13Å; G210-L213 WeakPolarHBondContact O-CB 3.36Å; G210-L213 WeakPolarHBondContact O-CG 3.32Å; G210-L213 PolarHBondContact O-N 3.35Å; G210-L213 VanDerWaalsContact O-N 3.08Å |
| 211 | I | 52.8 | Low | 64.2 | Low | 144 Ų | 144 | 76.6 Ų | 76.6 | 74% | 0.738 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -30.7 | -175 | -62.8 | 171.7 | 0 | 0 | 0 | 112.7 | S209 | S209-I211 PolarHBondContact O-N 3.11Å; S209-I211 WeakPolarHBondContact OG-CD1 3.18Å; S209-I211 VanDerWaalsContact OG-CG1 3.31Å; S209-I211 WeakPolarHBondContact OG-CG1 2.92Å |
| 212 | C | 64.5 | Low | 66.4 | Low | 51 Ų | 51 | 68.9 Ų | 68.9 | 35% | 0.345 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -0.3 | -177.9 | -70.3 | 0 | 0 | 0 | 0 | 114.8 | P197 C206 G210 Q214 | P197-C212 WeakPolarHBondContact CD-O 3.37Å; P197-C212 HydrophobicContact CG-CB 3.87Å; P197-C212 WeakPolarHBondContact CG-O 3.09Å; C206-C212 VanDerWaalsContact CB-SG 3.55Å; G210-C212 PolarHBondContact O-N 3.3Å; G210-C212 VanDerWaalsContact O-N 3.13Å; C212-Q214 PolarHBondContact O-N 3.13Å |
| 213 | L | 73 | Confident | 68.7 | Low | 47 Ų | 47 | 60 Ų | 60 | 25% | 0.246 | 33% | 0.334 | C | S | . | . | trans | -69.1 | 130.5 | -177.4 | -68 | 178.7 | 0 | 0 | 0 | 111.5 | N194 L196 G210 I302 | N194-L213 HydrophobicContact CB-CB 4.04Å; N194-L213 HydrophobicContact CB-CD1 4.12Å; N194-L213 HydrophobicContact CB-CD2 4.21Å; N194-L213 HydrophobicContact CB-CG 4.35Å; L196-L213 HydrophobicContact CD2-CD2 4.13Å; G210-L213 WeakPolarHBondContact O-CB 3.36Å; G210-L213 WeakPolarHBondContact O-CG 3.32Å; G210-L213 PolarHBondContact O-N 3.35Å; G210-L213 VanDerWaalsContact O-N 3.08Å; L213-I302 HydrophobicContact CD2-CD1 3.43Å; L213-I302 VanDerWaalsContact CD2-CD1 3.43Å | ||
| 214 | Q | 80.6 | Confident | 71.3 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 38% | 0.383 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 111.8 | 178.7 | -58.4 | -167.2 | -25 | 0 | 0 | 110.3 | K195 C212 R216 | K195-Q214 PolarHBondContact N-O 3.27Å; K195-Q214 PolarHBondContact O-N 2.92Å; C212-Q214 PolarHBondContact O-N 3.13Å; Q214-R216 PolarHBondContact O-N 3.17Å |
| 215 | K | 85.6 | Confident | 73.7 | Confident | 139 Ų | 139 | 47.1 Ų | 47.1 | 60% | 0.604 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 132.7 | 174.1 | -66.6 | -174.3 | -179.9 | -178.4 | 0 | 111.2 | ||
| 216 | R | 88.3 | Confident | 75.8 | Confident | 31 Ų | 31 | 42 Ų | 42 | 12% | 0.117 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 159.7 | 176.1 | -68.3 | -62.6 | -178.1 | -79.9 | -10.7 | 108.8 | C192 V193 K195 Q214 M228 | C192-R216 CarbonylContact C-O 3.57Å; C192-R216 WeakPolarHBondContact CA-O 3.16Å; V193-R216 HydrophobicContact CG2-CB 4.19Å; V193-R216 PolarHBondContact N-O 3.2Å; V193-R216 PolarHBondContact O-N 3.33Å; V193-R216 VanDerWaalsContact O-O 3.04Å; K195-R216 HydrophobicContact CB-CG 4.43Å; Q214-R216 PolarHBondContact O-N 3.17Å; R216-M228 CarbonylContact C-O 3.55Å; R216-M228 VanDerWaalsContact CA-O 3.29Å; R216-M228 WeakPolarHBondContact CA-O 3.43Å; R216-M228 WeakPolarHBondContact CD-O 3.46Å |
| 217 | W | 90.8 | Very high | 77.9 | Confident | 8 Ų | 8 | 40.1 Ų | 40.1 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 123.2 | 168.3 | -163.9 | -96.8 | 0 | 0 | 0 | 108 | R170 E190 D191 C192 Y227 M228 W263 | R170-W217 HydrophobicContact CG-CH2 4.3Å; R170-W217 HydrophobicContact CG-CZ3 3.95Å; E190-W217 HydrophobicContact CG-CZ2 4.04Å; E190-W217 PolarHBondContact OE2-NE1 3.46Å; D191-W217 CarbonylContact O-C 3.52Å; D191-W217 WeakPolarHBondContact O-CA 3.5Å; C192-W217 HydrophobicContact CB-CE3 3.89Å; C192-W217 HydrophobicContact CB-CZ3 3.83Å; W217-Y227 CarbonylContact O-C 3.55Å; W217-Y227 VanDerWaalsContact O-CA 3.23Å; W217-Y227 WeakPolarHBondContact O-CA 3.34Å; W217-M228 HydrophobicContact CB-CB 4.39Å; W217-M228 PolarHBondContact N-O 3.46Å; W217-M228 PolarHBondContact O-N 3.42Å; W217-W263 HydrophobicContact CB-CE3 4.48Å; W217-W263 HydrophobicContact CB-CH2 4.12Å; W217-W263 HydrophobicContact CB-CZ3 3.46Å; W217-W263 VanDerWaalsContact CB-CZ3 3.46Å; W217-W263 AromaticContact CD2-CH2 3.83Å; W217-W263 HydrophobicContact CD2-CH2 3.83Å; W217-W263 HydrophobicContact CD2-CZ3 4.07Å; W217-W263 HydrophobicContact CE3-CH2 4.1Å; W217-W263 AromaticContact CG-CH2 3.84Å; W217-W263 HydrophobicContact CG-CH2 3.84Å; W217-W263 AromaticContact CG-CZ3 3.57Å; W217-W263 HydrophobicContact CG-CZ3 3.57Å |
| 218 | L | 94.1 | Very high | 79.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 130.3 | 178.5 | -178.4 | 69.2 | 0 | 0 | 0 | 108.4 | E190 D191 V193 F225 V226 V301 W312 | E190-L218 CarbonylContact C-O 3.57Å; E190-L218 WeakPolarHBondContact CA-O 3.44Å; E190-L218 WeakPolarHBondContact CB-O 3.15Å; D191-L218 PolarHBondContact N-O 3.25Å; D191-L218 PolarHBondContact O-N 3.3Å; V193-L218 HydrophobicContact CG1-CB 4.16Å; V193-L218 HydrophobicContact CG1-CD2 4.45Å; V193-L218 HydrophobicContact CG2-CB 3.71Å; L218-F225 HydrophobicContact CD1-CB 4.07Å; L218-F225 HydrophobicContact CD1-CD1 4.1Å; L218-F225 HydrophobicContact CD2-CD1 4.45Å; L218-F225 HydrophobicContact CG-CD1 4.31Å; L218-V226 CarbonylContact C-O 3.52Å; L218-V226 WeakPolarHBondContact CA-O 3.41Å; L218-V301 HydrophobicContact CD2-CG1 4.38Å; L218-V301 HydrophobicContact CD2-CG2 4.32Å; L218-W312 HydrophobicContact CB-CZ2 4.36Å; L218-W312 HydrophobicContact CD2-CH2 3.89Å; L218-W312 HydrophobicContact CD2-CZ2 3.81Å; L218-W312 HydrophobicContact CD2-CZ3 4.4Å; L218-W312 HydrophobicContact CG-CH2 4.05Å; L218-W312 HydrophobicContact CG-CZ2 4.15Å |
| 219 | I | 91.3 | Very high | 81.2 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 126.1 | -179.7 | -48.7 | 174.2 | 0 | 0 | 0 | 106.8 | S175 L177 E190 K221 F225 V226 M228 | S175-I219 WeakPolarHBondContact OG-CD1 3.48Å; L177-I219 HydrophobicContact CB-CD1 3.92Å; L177-I219 HydrophobicContact CD1-CD1 4.28Å; E190-I219 HydrophobicContact CB-CB 4.3Å; E190-I219 HydrophobicContact CB-CG1 4.13Å; E190-I219 HydrophobicContact CB-CG2 4.21Å; I219-K221 HydrophobicContact CG2-CD 4.48Å; I219-K221 HydrophobicContact CG2-CG 4.36Å; I219-F225 CarbonylContact O-C 3.59Å; I219-F225 WeakPolarHBondContact O-CA 3.49Å; I219-V226 HydrophobicContact CB-CB 4.2Å; I219-V226 HydrophobicContact CD1-CB 4.39Å; I219-V226 PolarHBondContact N-O 2.83Å; I219-V226 PolarHBondContact O-N 2.76Å; I219-M228 HydrophobicContact CD1-SD 3.62Å |
| 220 | L | 92.3 | Very high | 82.2 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 126.9 | 166.8 | 172.3 | 64.7 | 0 | 0 | 0 | 108.7 | L188 K189 F225 M271 W312 I315 L316 | L188-L220 HydrophobicContact CB-CB 4.48Å; L188-L220 HydrophobicContact CB-CD2 4.3Å; L188-L220 HydrophobicContact CB-CG 4.21Å; L188-L220 HydrophobicContact CD1-CD2 4.23Å; L188-L220 HydrophobicContact CD1-CG 3.86Å; K189-L220 WeakPolarHBondContact O-CB 3.36Å; K189-L220 PolarHBondContact O-N 2.96Å; L220-F225 HydrophobicContact CB-CD1 4.16Å; L220-F225 HydrophobicContact CB-CE1 4.12Å; L220-F225 HydrophobicContact CD1-CD1 4.03Å; L220-F225 HydrophobicContact CD1-CE1 3.61Å; L220-F225 HydrophobicContact CD1-CE2 4.17Å; L220-F225 HydrophobicContact CD1-CG 4.49Å; L220-F225 HydrophobicContact CD1-CZ 3.7Å; L220-F225 HydrophobicContact CG-CE1 4.36Å; L220-M271 HydrophobicContact CD1-CE 3.48Å; L220-M271 VanDerWaalsContact CD1-CE 3.48Å; L220-W312 HydrophobicContact CB-CH2 4.08Å; L220-W312 HydrophobicContact CB-CZ3 3.8Å; L220-W312 HydrophobicContact CD2-CZ3 4.28Å; L220-I315 HydrophobicContact CD2-CG2 3.88Å; L220-L316 HydrophobicContact CD1-CD2 4.19Å; L220-L316 HydrophobicContact CD2-CD2 3.92Å |
| 221 | K | 88.2 | Confident | 82.8 | Confident | 10 Ų | 10 | 35.4 Ų | 35.4 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | trans | -111.4 | 178.9 | 168.1 | -67.6 | -70.9 | -170.8 | 170.8 | 0 | 108.7 | L177 S178 V180 C182 I219 S223 Y224 | L177-K221 WeakPolarHBondContact O-CE 3.4Å; L177-K221 PolarHBondContact O-NZ 3.07Å; S178-K221 PolarHBondContact O-NZ 2.77Å; V180-K221 PolarHBondContact O-NZ 2.92Å; C182-K221 PolarHBondContact SG-NZ 3.06Å; I219-K221 HydrophobicContact CG2-CD 4.48Å; I219-K221 HydrophobicContact CG2-CG 4.36Å; K221-S223 VanDerWaalsContact C-N 3.34Å; K221-S223 PolarHBondContact O-N 3.25Å; K221-Y224 WeakPolarHBondContact CA-O 3.25Å; K221-Y224 HydrophobicContact CB-CD1 3.95Å; K221-Y224 HydrophobicContact CB-CD2 4.12Å; K221-Y224 HydrophobicContact CB-CE1 3.65Å; K221-Y224 HydrophobicContact CB-CE2 3.83Å; K221-Y224 HydrophobicContact CB-CG 4.18Å; K221-Y224 WeakPolarHBondContact CB-O 2.79Å; K221-Y224 HydrophobicContact CG-CD2 4.32Å; K221-Y224 HydrophobicContact CG-CE1 4.2Å; K221-Y224 HydrophobicContact CG-CE2 3.67Å; K221-Y224 PolarHBondContact N-O 3.09Å | ||
| 222 | D | 84.5 | Confident | 82.5 | Confident | 31 Ų | 31 | 31.2 Ų | 31.2 | 17% | 0.166 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -49.8 | -48.6 | -179.6 | 63.7 | -24.6 | 0 | 0 | 0 | 113 | L186 H319 T325 H728 | L186-D222 HydrophobicContact CD2-CB 4.1Å; D222-H319 PolarHBondContact O-NE2 3.32Å; D222-H319 VanDerWaalsContact O-NE2 3.15Å; D222-T325 WeakPolarHBondContact O-CB 3.44Å; D222-T325 PolarHBondContact O-OG1 2.84Å; D222-H728 IonicContact OD2-CE1 3.45Å; D222-H728 PolarHBondContact OD2-CE1 3.05Å; D222-H728 IonicContact OD2-NE2 2.8Å |
| 223 | S | 89.6 | Confident | 81.1 | Confident | 4 Ų | 4 | 36.2 Ų | 36.2 | 3% | 0.028 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -129.6 | 10.3 | -171.4 | 63.9 | 0 | 0 | 0 | 0 | 114 | K221 M271 R691 | K221-S223 VanDerWaalsContact C-N 3.34Å; K221-S223 PolarHBondContact O-N 3.25Å; S223-M271 WeakPolarHBondContact O-CB 2.76Å; S223-M271 PolarHBondContact O-N 3.28Å; S223-R691 PolarHBondContact O-NH2 3.38Å; S223-R691 VanDerWaalsContact O-NH2 3.1Å |
| 224 | Y | 92 | Very high | 79.2 | Confident | 6 Ų | 6 | 43.1 Ų | 43.1 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 163.2 | -176.9 | 63.5 | -82.8 | 0 | 0 | 0 | 113.2 | K221 V226 I268 F269 L270 L725 P726 | K221-Y224 WeakPolarHBondContact CA-O 3.25Å; K221-Y224 HydrophobicContact CB-CD1 3.95Å; K221-Y224 HydrophobicContact CB-CD2 4.12Å; K221-Y224 HydrophobicContact CB-CE1 3.65Å; K221-Y224 HydrophobicContact CB-CE2 3.83Å; K221-Y224 HydrophobicContact CB-CG 4.18Å; K221-Y224 WeakPolarHBondContact CB-O 2.79Å; K221-Y224 HydrophobicContact CG-CD2 4.32Å; K221-Y224 HydrophobicContact CG-CE1 4.2Å; K221-Y224 HydrophobicContact CG-CE2 3.67Å; K221-Y224 PolarHBondContact N-O 3.09Å; Y224-V226 HydrophobicContact CD2-CG2 3.66Å; Y224-V226 HydrophobicContact CE2-CG2 3.41Å; Y224-V226 VanDerWaalsContact CE2-CG2 3.41Å; Y224-I268 HydrophobicContact CD2-CG2 3.95Å; Y224-I268 HydrophobicContact CG-CG2 4.43Å; Y224-F269 CarbonylContact C-O 2.86Å; Y224-F269 VanDerWaalsContact CA-O 3.26Å; Y224-F269 WeakPolarHBondContact CA-O 3.18Å; Y224-F269 WeakPolarHBondContact CB-O 3.43Å; Y224-L270 HydrophobicContact CG-CD2 4.37Å; Y224-L725 HydrophobicContact CD2-CD2 4.37Å; Y224-L725 HydrophobicContact CE2-CD2 3.75Å; Y224-P726 HydrophobicContact CD1-CB 4.25Å; Y224-P726 HydrophobicContact CD1-CG 3.79Å; Y224-P726 HydrophobicContact CE1-CB 3.99Å; Y224-P726 HydrophobicContact CE1-CG 3.95Å; Y224-P726 HydrophobicContact CG-CG 4.36Å |
| 225 | F | 93.1 | Very high | 77 | Confident | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 147.2 | 166.8 | -57.6 | -105.6 | 0 | 0 | 0 | 110.9 | L218 I219 L220 I268 F269 M271 F275 L292 W312 L316 | L218-F225 HydrophobicContact CD1-CB 4.07Å; L218-F225 HydrophobicContact CD1-CD1 4.1Å; L218-F225 HydrophobicContact CD2-CD1 4.45Å; L218-F225 HydrophobicContact CG-CD1 4.31Å; I219-F225 CarbonylContact O-C 3.59Å; I219-F225 WeakPolarHBondContact O-CA 3.49Å; L220-F225 HydrophobicContact CB-CD1 4.16Å; L220-F225 HydrophobicContact CB-CE1 4.12Å; L220-F225 HydrophobicContact CD1-CD1 4.03Å; L220-F225 HydrophobicContact CD1-CE1 3.61Å; L220-F225 HydrophobicContact CD1-CE2 4.17Å; L220-F225 HydrophobicContact CD1-CG 4.49Å; L220-F225 HydrophobicContact CD1-CZ 3.7Å; L220-F225 HydrophobicContact CG-CE1 4.36Å; F225-I268 CarbonylContact O-C 3.57Å; F225-I268 WeakPolarHBondContact O-CA 3.27Å; F225-F269 HydrophobicContact CB-CB 4.16Å; F225-F269 AromaticContact CD2-CD1 4Å; F225-F269 HydrophobicContact CD2-CD1 4Å; F225-F269 PolarHBondContact N-O 3.07Å; F225-F269 PolarHBondContact O-N 2.78Å; F225-M271 HydrophobicContact CD2-CE 4.02Å; F225-M271 HydrophobicContact CE2-CE 3.24Å; F225-M271 HydrophobicContact CE2-CG 4.38Å; F225-M271 HydrophobicContact CZ-CE 3.69Å; F225-F275 AromaticContact CE2-CE2 3.72Å; F225-F275 HydrophobicContact CE2-CE2 3.72Å; F225-F275 AromaticContact CE2-CZ 3.81Å; F225-F275 HydrophobicContact CE2-CZ 3.81Å; F225-F275 HydrophobicContact CZ-CE2 4.47Å; F225-F275 HydrophobicContact CZ-CZ 4.17Å; F225-L292 HydrophobicContact CD1-CD1 3.95Å; F225-L292 HydrophobicContact CD2-CD1 3.96Å; F225-L292 HydrophobicContact CE1-CD1 3.78Å; F225-L292 HydrophobicContact CE1-CD2 4.45Å; F225-L292 HydrophobicContact CE2-CD1 3.81Å; F225-L292 HydrophobicContact CE2-CD2 4.3Å; F225-L292 HydrophobicContact CG-CD1 4.01Å; F225-L292 HydrophobicContact CZ-CD1 3.7Å; F225-L292 HydrophobicContact CZ-CD2 3.87Å; F225-L292 HydrophobicContact CZ-CG 4.43Å; F225-W312 HydrophobicContact CE1-CZ3 4.06Å; F225-L316 HydrophobicContact CE1-CD2 3.99Å; F225-L316 HydrophobicContact CZ-CD1 4.49Å; F225-L316 HydrophobicContact CZ-CD2 3.54Å |
| 226 | V | 88.3 | Confident | 74.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 135.6 | 169.6 | -173.3 | 0 | 0 | 0 | 0 | 108.4 | L177 L218 I219 Y224 M228 L265 L725 | L177-V226 HydrophobicContact CD1-CG1 3.94Å; L218-V226 CarbonylContact C-O 3.52Å; L218-V226 WeakPolarHBondContact CA-O 3.41Å; I219-V226 HydrophobicContact CB-CB 4.2Å; I219-V226 HydrophobicContact CD1-CB 4.39Å; I219-V226 PolarHBondContact N-O 2.83Å; I219-V226 PolarHBondContact O-N 2.76Å; Y224-V226 HydrophobicContact CD2-CG2 3.66Å; Y224-V226 HydrophobicContact CE2-CG2 3.41Å; Y224-V226 VanDerWaalsContact CE2-CG2 3.41Å; V226-M228 HydrophobicContact CG1-CG 3.9Å; V226-M228 HydrophobicContact CG1-SD 4.23Å; V226-L265 HydrophobicContact CG1-CD1 3.26Å; V226-L725 HydrophobicContact CG2-CD2 3.65Å |
| 227 | Y | 86.5 | Confident | 71.8 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 133.4 | 166.2 | 75.8 | -99.2 | 0 | 0 | 0 | 112.8 | W217 C266 N267 L299 | W217-Y227 CarbonylContact O-C 3.55Å; W217-Y227 VanDerWaalsContact O-CA 3.23Å; W217-Y227 WeakPolarHBondContact O-CA 3.34Å; Y227-C266 HydrophobicContact CD2-CB 3.31Å; Y227-C266 HydrophobicContact CE2-CB 3.11Å; Y227-C266 HydrophobicContact CG-CB 4.34Å; Y227-C266 WeakPolarHBondContact O-CA 3.38Å; Y227-C266 VanDerWaalsContact O-CB 3.25Å; Y227-C266 WeakPolarHBondContact O-CB 3.42Å; Y227-C266 PolarHBondContact O-N 2.81Å; Y227-N267 HydrophobicContact CD1-CB 3.66Å; Y227-N267 HydrophobicContact CE1-CB 2.98Å; Y227-N267 HydrophobicContact CE2-CB 4.11Å; Y227-N267 HydrophobicContact CG-CB 4.47Å; Y227-N267 PolarHBondContact N-O 3.44Å; Y227-N267 PolarHBondContact O-N 3.37Å; Y227-N267 VanDerWaalsContact OH-CB 3.27Å; Y227-N267 WeakPolarHBondContact OH-CB 3.37Å; Y227-L299 HydrophobicContact CD1-CD1 4.49Å; Y227-L299 HydrophobicContact CD1-CD2 4.19Å; Y227-L299 HydrophobicContact CE1-CD1 4.21Å; Y227-L299 HydrophobicContact CE1-CD2 4.48Å |
| 228 | M | 84.3 | Confident | 69 | Low | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 156.7 | -171.8 | -59.7 | 170.1 | 65.3 | 0 | 0 | 110.7 | P176 L177 R216 W217 I219 V226 I254 W263 R264 L265 | P176-M228 HydrophobicContact CG-CE 4.4Å; L177-M228 HydrophobicContact CD1-CE 4.36Å; L177-M228 HydrophobicContact CD1-SD 3.65Å; L177-M228 HydrophobicContact CG-CE 4.41Å; L177-M228 HydrophobicContact CG-SD 4.12Å; R216-M228 CarbonylContact C-O 3.55Å; R216-M228 VanDerWaalsContact CA-O 3.29Å; R216-M228 WeakPolarHBondContact CA-O 3.43Å; R216-M228 WeakPolarHBondContact CD-O 3.46Å; W217-M228 HydrophobicContact CB-CB 4.39Å; W217-M228 PolarHBondContact N-O 3.46Å; W217-M228 PolarHBondContact O-N 3.42Å; I219-M228 HydrophobicContact CD1-SD 3.62Å; V226-M228 HydrophobicContact CG1-CG 3.9Å; V226-M228 HydrophobicContact CG1-SD 4.23Å; M228-I254 HydrophobicContact CE-CD1 3.68Å; M228-W263 HydrophobicContact CB-CE3 4.04Å; M228-W263 HydrophobicContact CB-CZ3 4.44Å; M228-W263 HydrophobicContact CE-CB 3.75Å; M228-W263 HydrophobicContact CE-CD2 4.25Å; M228-W263 HydrophobicContact CE-CE3 3.83Å; M228-W263 HydrophobicContact CE-CG 4.27Å; M228-R264 CarbonylContact C-O 3.34Å; M228-R264 VanDerWaalsContact CA-O 3.31Å; M228-R264 WeakPolarHBondContact CA-O 3.42Å; M228-L265 HydrophobicContact CG-CD1 4.34Å |
| 229 | K | 80.6 | Confident | 66.3 | Low | 70 Ų | 70 | 55.4 Ų | 55.4 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.4 | 170.6 | -179.2 | -174.6 | 174.6 | -169.7 | 0 | 108.5 | R264 | K229-R264 PolarHBondContact N-O 3.09Å; K229-R264 PolarHBondContact O-N 3.11Å |
| 230 | Q | 73.5 | Confident | 63.7 | Low | 56 Ų | 56 | 59.2 Ų | 59.2 | 26% | 0.262 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 129.4 | 168.7 | -164.4 | 179.5 | 18.6 | 0 | 0 | 109.3 | D166 R170 G232 W263 | D166-Q230 PolarHBondContact OD1-NE2 3.17Å; D166-Q230 PolarHBondContact OD1-OE1 3.14Å; R170-Q230 VanDerWaalsContact NH2-OE1 3.16Å; Q230-G232 PolarHBondContact O-N 2.78Å; Q230-W263 HydrophobicContact CB-CD2 4.44Å; Q230-W263 HydrophobicContact CB-CE3 4.32Å; Q230-W263 HydrophobicContact CB-CZ3 4.41Å; Q230-W263 HydrophobicContact CG-CD2 4.35Å; Q230-W263 HydrophobicContact CG-CZ2 4.24Å |
| 231 | H | 64.8 | Low | 61 | Low | 33 Ų | 33 | 63.5 Ų | 63.5 | 15% | 0.153 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 98.7 | 164.3 | -80.7 | -97.4 | 0 | 0 | 0 | 107.9 | S262 | H231-S262 WeakPolarHBondContact CB-O 3.48Å; H231-S262 WeakPolarHBondContact CB-OG 3.46Å; H231-S262 PolarHBondContact CD2-OG 2.92Å; H231-S262 PolarHBondContact N-O 3.41Å |
| 232 | G | 46.4 | Very low | 58.2 | Low | 55 Ų | 55 | 72 Ų | 72 | 57% | 0.567 | 37% | 0.369 | S | S | * | . | trans | -91.4 | 132.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q230 | Q230-G232 PolarHBondContact O-N 2.78Š| ||
| 233 | D | 36.2 | Very low | 55.8 | Low | 156 Ų | 156 | 71.9 Ų | 71.9 | 83% | 0.834 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 43.6 | 110.6 | 161.9 | -54.9 | -35.6 | 0 | 0 | 0 | 117.9 | ||
| 234 | K | 32 | Very low | 53.2 | Low | 192 Ų | 192 | 76.6 Ų | 76.6 | 84% | 0.835 | 41% | 0.41 | S | S | * | . | trans | 70.6 | 93.7 | 174.7 | -50.5 | -178.2 | -178.3 | -178 | 0 | 113.3 | K236 | K234-K236 PolarHBondContact O-N 3.01Š| ||
| 235 | V | 35.7 | Very low | 50.2 | Low | 70 Ų | 70 | 83.8 Ų | 83.8 | 42% | 0.424 | 44% | 0.441 | S | S | . | . | trans | -52.4 | 110.3 | 147.7 | -177.8 | 0 | 0 | 0 | 0 | 105.4 | A237 D239 I240 | V235-A237 PolarHBondContact O-N 2.85Å; V235-D239 HydrophobicContact CG1-CB 4.03Å; V235-I240 HydrophobicContact CG1-CD1 3.98Å; V235-I240 HydrophobicContact CG1-CG1 3.62Å | ||
| 236 | K | 33.4 | Very low | 47.4 | Very low | 129 Ų | 129 | 87.3 Ų | 87.3 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | trans | -62.8 | 135.9 | 175.5 | -68.1 | -172.7 | 175.5 | -171.1 | 0 | 105.9 | K234 K238 D239 | K234-K236 PolarHBondContact O-N 3.01Å; K236-K238 HydrophobicContact CB-CD 4.48Å; K236-K238 HydrophobicContact CB-CG 3.84Å; K236-K238 PolarHBondContact O-N 2.88Å; K236-D239 WeakPolarHBondContact O-CB 3.39Å; K236-D239 PolarHBondContact O-N 3.44Å | ||
| 237 | A | 29.9 | Very low | 44.6 | Very low | 69 Ų | 69 | 96.2 Ų | 96.2 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -52.7 | -18.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V235 I240 | V235-A237 PolarHBondContact O-N 2.85Å; A237-I240 PolarHBondContact O-N 3.06Å |
| 238 | K | 33.1 | Very low | 42.1 | Very low | 166 Ų | 166 | 98.7 Ų | 98.7 | 72% | 0.722 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -76.7 | -12.8 | 172.3 | 70.7 | -178.3 | -174.6 | 175.9 | 0 | 116.2 | K236 | K236-K238 HydrophobicContact CB-CD 4.48Å; K236-K238 HydrophobicContact CB-CG 3.84Å; K236-K238 PolarHBondContact O-N 2.88Å |
| 239 | D | 37.7 | Very low | 39.7 | Very low | 85 Ų | 85 | 106.6 Ų | 106.6 | 46% | 0.455 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -91.9 | -7.8 | 171 | -67.1 | -39.4 | 0 | 0 | 0 | 111.1 | V235 K236 | V235-D239 HydrophobicContact CG1-CB 4.03Å; K236-D239 WeakPolarHBondContact O-CB 3.39Å; K236-D239 PolarHBondContact O-N 3.44Å |
| 240 | I | 36.4 | Very low | 37.6 | Very low | 84 Ų | 84 | 105.9 Ų | 105.9 | 43% | 0.431 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -98.8 | 107.9 | 171 | -56.5 | 173.8 | 0 | 0 | 0 | 105 | V235 A237 K242 | V235-I240 HydrophobicContact CG1-CD1 3.98Å; V235-I240 HydrophobicContact CG1-CG1 3.62Å; A237-I240 PolarHBondContact O-N 3.06Å; I240-K242 PolarHBondContact O-N 2.9Å; I240-K242 VanDerWaalsContact O-N 3.15Å |
| 241 | D | 34.9 | Very low | 35.8 | Very low | 93 Ų | 93 | 105.4 Ų | 105.4 | 50% | 0.497 | 57% | 0.565 | S | S | . | * | trans | -59.6 | 122.1 | 171.3 | -139.9 | -16.9 | 0 | 0 | 0 | 107.5 | S243 | D241-S243 PolarHBondContact O-N 3.46Š| ||
| 242 | K | 30.1 | Very low | 34.6 | Very low | 189 Ų | 189 | 105 Ų | 105 | 82% | 0.822 | 56% | 0.563 | S | S | * | * | trans | -81.7 | 58.7 | 173.9 | -72.4 | -174.2 | 176.6 | -177 | 0 | 108.1 | I240 | I240-K242 PolarHBondContact O-N 2.9Å; I240-K242 VanDerWaalsContact O-N 3.15Å | ||
| 243 | S | 33.5 | Very low | 34.2 | Very low | 27 Ų | 27 | 102.8 Ų | 102.8 | 19% | 0.189 | 54% | 0.539 | C | S | . | . | trans | -75.8 | 140.4 | 157.9 | 67.3 | 0 | 0 | 0 | 0 | 107.5 | D241 K245 N608 | D241-S243 PolarHBondContact O-N 3.46Å; S243-K245 PolarHBondContact O-N 2.98Å; S243-N608 WeakPolarHBondContact CB-OD1 3.42Å; S243-N608 PolarHBondContact OG-OD1 3.4Å | ||
| 244 | A | 35.2 | Very low | 34.4 | Very low | 104 Ų | 104 | 96 Ų | 96 | 86% | 0.86 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -67.3 | 13.9 | -157.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 245 | K | 29.4 | Very low | 34.7 | Very low | 157 Ų | 157 | 89.7 Ų | 89.7 | 68% | 0.683 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -137.7 | 120.6 | 174 | -70.8 | -178.5 | -179.7 | 171.9 | 0 | 109.9 | S243 | S243-K245 PolarHBondContact O-N 2.98Š|
| 246 | G | 32.8 | Very low | 34.7 | Very low | 74 Ų | 74 | 86.8 Ų | 86.8 | 76% | 0.763 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -61.4 | 159.7 | -163.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 247 | K | 30.2 | Very low | 34.6 | Very low | 188 Ų | 188 | 82.9 Ų | 82.9 | 82% | 0.817 | 45% | 0.447 | S | S | * | . | trans | 76.4 | 55.5 | 167.6 | -59.4 | 178.2 | 179.8 | 168.4 | 0 | 117.5 | R249 | K247-R249 PolarHBondContact O-N 3.5Š| ||
| 248 | L | 34.1 | Very low | 34.9 | Very low | 76 Ų | 76 | 81.6 Ų | 81.6 | 40% | 0.398 | 44% | 0.441 | S | S | . | . | trans | -77.5 | 77.2 | 150.2 | -119 | 156 | 0 | 0 | 0 | 109.6 | L250 P609 | L248-L250 PolarHBondContact O-N 3.06Å; L248-P609 HydrophobicContact CB-CG 4.44Å; L248-P609 HydrophobicContact CD1-CB 3.73Å; L248-P609 HydrophobicContact CD1-CG 3.38Å; L248-P609 HydrophobicContact CD2-CB 4.41Å; L248-P609 HydrophobicContact CG-CB 3.69Å; L248-P609 HydrophobicContact CG-CG 3.6Å | ||
| 249 | R | 33.7 | Very low | 35.2 | Very low | 165 Ų | 165 | 83.8 Ų | 83.8 | 62% | 0.623 | 45% | 0.45 | S | S | * | . | trans | -69.2 | 125.9 | 166.5 | -80.5 | -172.1 | 177 | -179.4 | 0.1 | 107.9 | K247 A251 | K247-R249 PolarHBondContact O-N 3.5Å; R249-A251 PolarHBondContact O-N 3.33Å | ||
| 250 | L | 37 | Very low | 35.4 | Very low | 55 Ų | 55 | 87 Ų | 87 | 29% | 0.288 | 47% | 0.468 | S | S | . | . | trans | -49 | 103.9 | 179 | -80.6 | 139.2 | 0 | 0 | 0 | 111 | L248 F252 S253 | L248-L250 PolarHBondContact O-N 3.06Å; L250-F252 PolarHBondContact O-N 2.58Å; L250-S253 PolarHBondContact O-N 2.92Å; L250-S253 VanDerWaalsContact O-N 3.12Å; L250-S253 PolarHBondContact O-OG 2.83Å | ||
| 251 | A | 35.9 | Very low | 36.3 | Very low | 46 Ų | 46 | 87 Ų | 87 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -10.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E19 R249 | E19-A251 VanDerWaalsContact OE2-O 3.14Å; R249-A251 PolarHBondContact O-N 3.33Å |
| 252 | F | 38.4 | Very low | 37.6 | Very low | 25 Ų | 25 | 83.5 Ų | 83.5 | 11% | 0.11 | 45% | 0.445 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -27.8 | 172.9 | -23.2 | -121.7 | 0 | 0 | 0 | 117.7 | L250 L720 P722 | L250-F252 PolarHBondContact O-N 2.58Å; F252-L720 HydrophobicContact CD2-CB 3.89Å; F252-L720 HydrophobicContact CD2-CD2 3.53Å; F252-L720 HydrophobicContact CD2-CG 4.3Å; F252-L720 HydrophobicContact CE2-CB 3.61Å; F252-L720 HydrophobicContact CE2-CD2 4.01Å; F252-L720 HydrophobicContact CE2-CG 4.41Å; F252-L720 WeakPolarHBondContact CE2-O 3.3Å; F252-L720 WeakPolarHBondContact CZ-O 3.48Å; F252-P722 VanDerWaalsContact CE1-CA 3.46Å; F252-P722 HydrophobicContact CE1-CB 3.91Å; F252-P722 HydrophobicContact CE1-CG 3.64Å; F252-P722 HydrophobicContact CZ-CG 3.87Å |
| 253 | S | 37.9 | Very low | 39.5 | Very low | 9 Ų | 9 | 74.7 Ų | 74.7 | 6% | 0.063 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 123.6 | -174.6 | 46 | 0 | 0 | 0 | 0 | 109.2 | L250 E255 S262 W263 | L250-S253 PolarHBondContact O-N 2.92Å; L250-S253 VanDerWaalsContact O-N 3.12Å; L250-S253 PolarHBondContact O-OG 2.83Å; S253-E255 PolarHBondContact O-N 2.82Å; S253-E255 WeakPolarHBondContact OG-CG 3.44Å; S253-S262 WeakPolarHBondContact CB-OG 3.27Å; S253-W263 CarbonylContact C-O 3.53Å; S253-W263 VanDerWaalsContact CA-O 3.28Å; S253-W263 WeakPolarHBondContact CA-O 3.32Å |
| 254 | I | 41.9 | Very low | 41.4 | Very low | 14 Ų | 14 | 75.7 Ų | 75.7 | 7% | 0.072 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 96.7 | 147.6 | -60.3 | 172.1 | 0 | 0 | 0 | 105.3 | N24 P176 L177 M228 L256 W263 | N24-I254 WeakPolarHBondContact OD1-CA 3.21Å; N24-I254 WeakPolarHBondContact OD1-CB 3.31Å; N24-I254 WeakPolarHBondContact OD1-CG1 3.32Å; N24-I254 WeakPolarHBondContact OD1-CG2 3.23Å; P176-I254 HydrophobicContact CB-CD1 3.99Å; P176-I254 HydrophobicContact CB-CG2 3.55Å; P176-I254 HydrophobicContact CG-CD1 4.48Å; P176-I254 HydrophobicContact CG-CG2 3.81Å; L177-I254 HydrophobicContact CD2-CD1 4.26Å; L177-I254 HydrophobicContact CG-CD1 4.38Å; M228-I254 HydrophobicContact CE-CD1 3.68Å; I254-L256 HydrophobicContact CG2-CD2 4.23Å; I254-L256 HydrophobicContact CG2-CG 4.39Å; I254-L256 PolarHBondContact O-N 3.49Å; I254-W263 HydrophobicContact CB-CB 4.13Å; I254-W263 PolarHBondContact N-O 3.47Å; I254-W263 PolarHBondContact O-N 3.46Å |
| 255 | E | 36.6 | Very low | 43.3 | Very low | 59 Ų | 59 | 72 Ų | 72 | 28% | 0.276 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 104.2 | 169.8 | -74.9 | -165.4 | 163.9 | 0 | 0 | 106.4 | N24 S253 | N24-E255 PolarHBondContact ND2-N 2.83Å; S253-E255 PolarHBondContact O-N 2.82Å; S253-E255 WeakPolarHBondContact OG-CG 3.44Å |
| 256 | L | 35.8 | Very low | 45.7 | Very low | 9 Ų | 9 | 65.4 Ų | 65.4 | 5% | 0.047 | 35% | 0.345 | C | S | . | . | trans | -71.2 | 152.2 | 167.2 | -66.5 | 170.5 | 0 | 0 | 0 | 108.9 | V28 P176 I254 G258 R261 | V28-L256 HydrophobicContact CG2-CD1 3.4Å; V28-L256 VanDerWaalsContact CG2-CD1 3.4Å; V28-L256 HydrophobicContact CG2-CD2 3.58Å; V28-L256 HydrophobicContact CG2-CG 4.08Å; P176-L256 HydrophobicContact CB-CD2 4.12Å; P176-L256 HydrophobicContact CG-CD1 4.04Å; P176-L256 HydrophobicContact CG-CD2 4.05Å; P176-L256 HydrophobicContact CG-CG 4.19Å; I254-L256 HydrophobicContact CG2-CD2 4.23Å; I254-L256 HydrophobicContact CG2-CG 4.39Å; I254-L256 PolarHBondContact O-N 3.49Å; L256-G258 PolarHBondContact O-N 3.18Å; L256-R261 PolarHBondContact N-O 3.4Å | ||
| 257 | S | 32 | Very low | 48.1 | Very low | 47 Ų | 47 | 63 Ų | 63 | 33% | 0.329 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -59.5 | 127.9 | 167.6 | 65.9 | 0 | 0 | 0 | 0 | 109.6 | A26 | A26-S257 WeakPolarHBondContact O-CB 3.16Å; A26-S257 PolarHBondContact O-N 3.09Å; A26-S257 PolarHBondContact O-OG 3.39Å |
| 258 | G | 37.1 | Very low | 50.8 | Low | 42 Ų | 42 | 54.6 Ų | 54.6 | 43% | 0.433 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 127.9 | 103.4 | -167 | 0 | 0 | 0 | 0 | 0 | 108.9 | L256 N260 R261 | L256-G258 PolarHBondContact O-N 3.18Å; G258-N260 PolarHBondContact O-N 3.4Å; G258-R261 PolarHBondContact O-N 2.95Å |
| 259 | K | 38.7 | Very low | 53.5 | Low | 212 Ų | 212 | 51.6 Ų | 51.6 | 92% | 0.922 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -0.5 | -163.4 | -73 | -178.6 | 174.4 | 178.7 | 0 | 118.2 | ||
| 260 | N | 41.9 | Very low | 56.3 | Low | 153 Ų | 153 | 44 Ų | 44 | 82% | 0.818 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -140.9 | 18.2 | -176.8 | -82.2 | -23.2 | 0 | 0 | 0 | 115.5 | G258 | G258-N260 PolarHBondContact O-N 3.4Š|
| 261 | R | 56.2 | Low | 58.9 | Low | 82 Ų | 82 | 41.4 Ų | 41.4 | 31% | 0.309 | 22% | 0.221 | S | C | . | . | trans | -115.3 | 101.4 | -173.4 | -63.6 | 177.5 | -174.4 | 169.7 | -6.9 | 112.5 | E164 L256 G258 | E164-R261 PolarHBondContact O-NH1 2.99Å; E164-R261 PolarHBondContact O-NH2 3.02Å; L256-R261 PolarHBondContact N-O 3.4Å; G258-R261 PolarHBondContact O-N 2.95Å | ||
| 262 | S | 60.3 | Low | 61.5 | Low | 20 Ų | 20 | 39.7 Ų | 39.7 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 118.1 | -176.9 | 117.4 | 0 | 0 | 0 | 0 | 110.6 | H231 S253 | H231-S262 WeakPolarHBondContact CB-O 3.48Å; H231-S262 WeakPolarHBondContact CB-OG 3.46Å; H231-S262 PolarHBondContact CD2-OG 2.92Å; H231-S262 PolarHBondContact N-O 3.41Å; S253-S262 WeakPolarHBondContact CB-OG 3.27Å |
| 263 | W | 70.4 | Confident | 63.7 | Low | 5 Ų | 5 | 40.2 Ų | 40.2 | 2% | 0.019 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 129.8 | 175.5 | -73.9 | 84.3 | 0 | 0 | 0 | 110 | P176 W217 M228 Q230 S253 I254 | P176-W263 HydrophobicContact CG-CB 4.21Å; P176-W263 HydrophobicContact CG-CD2 4.09Å; P176-W263 HydrophobicContact CG-CG 3.75Å; W217-W263 HydrophobicContact CB-CE3 4.48Å; W217-W263 HydrophobicContact CB-CH2 4.12Å; W217-W263 HydrophobicContact CB-CZ3 3.46Å; W217-W263 VanDerWaalsContact CB-CZ3 3.46Å; W217-W263 AromaticContact CD2-CH2 3.83Å; W217-W263 HydrophobicContact CD2-CH2 3.83Å; W217-W263 HydrophobicContact CD2-CZ3 4.07Å; W217-W263 HydrophobicContact CE3-CH2 4.1Å; W217-W263 AromaticContact CG-CH2 3.84Å; W217-W263 HydrophobicContact CG-CH2 3.84Å; W217-W263 AromaticContact CG-CZ3 3.57Å; W217-W263 HydrophobicContact CG-CZ3 3.57Å; M228-W263 HydrophobicContact CB-CE3 4.04Å; M228-W263 HydrophobicContact CB-CZ3 4.44Å; M228-W263 HydrophobicContact CE-CB 3.75Å; M228-W263 HydrophobicContact CE-CD2 4.25Å; M228-W263 HydrophobicContact CE-CE3 3.83Å; M228-W263 HydrophobicContact CE-CG 4.27Å; Q230-W263 HydrophobicContact CB-CD2 4.44Å; Q230-W263 HydrophobicContact CB-CE3 4.32Å; Q230-W263 HydrophobicContact CB-CZ3 4.41Å; Q230-W263 HydrophobicContact CG-CD2 4.35Å; Q230-W263 HydrophobicContact CG-CZ2 4.24Å; S253-W263 CarbonylContact C-O 3.53Å; S253-W263 VanDerWaalsContact CA-O 3.28Å; S253-W263 WeakPolarHBondContact CA-O 3.32Å; I254-W263 HydrophobicContact CB-CB 4.13Å; I254-W263 PolarHBondContact N-O 3.47Å; I254-W263 PolarHBondContact O-N 3.46Å |
| 264 | R | 72.9 | Confident | 65.9 | Low | 47 Ų | 47 | 41 Ų | 41 | 18% | 0.177 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 120 | 179.9 | -169.7 | 176.7 | 58.6 | 68.2 | 8.2 | 111.8 | M228 K229 C266 | M228-R264 CarbonylContact C-O 3.34Å; M228-R264 VanDerWaalsContact CA-O 3.31Å; M228-R264 WeakPolarHBondContact CA-O 3.42Å; K229-R264 PolarHBondContact N-O 3.09Å; K229-R264 PolarHBondContact O-N 3.11Å; R264-C266 PolarHBondContact NH1-SG 2.97Å; R264-C266 VanDerWaalsContact NH1-SG 3.4Å; R264-C266 PolarHBondContact NH2-SG 2.8Å; R264-C266 PolarHBondContact O-N 3.12Å; R264-C266 PolarHBondContact O-SG 2.81Å; R264-C266 VanDerWaalsContact O-SG 3.39Å |
| 265 | L | 76.6 | Confident | 68.2 | Low | 28 Ų | 28 | 40.5 Ų | 40.5 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 122.1 | 168.7 | -178.5 | 61.5 | 0 | 0 | 0 | 109.9 | V226 M228 I268 | V226-L265 HydrophobicContact CG1-CD1 3.26Å; M228-L265 HydrophobicContact CG-CD1 4.34Å; L265-I268 HydrophobicContact CD1-CD1 4.32Å; L265-I268 HydrophobicContact CD2-CD1 3.94Å; L265-I268 HydrophobicContact CG-CD1 4.3Å |
| 266 | C | 79.7 | Confident | 70.7 | Confident | 17 Ų | 17 | 37.7 Ų | 37.7 | 12% | 0.115 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | -43.8 | -177.7 | -64.6 | 0 | 0 | 0 | 0 | 112.6 | Y227 R264 | Y227-C266 HydrophobicContact CD2-CB 3.31Å; Y227-C266 HydrophobicContact CE2-CB 3.11Å; Y227-C266 HydrophobicContact CG-CB 4.34Å; Y227-C266 WeakPolarHBondContact O-CA 3.38Å; Y227-C266 VanDerWaalsContact O-CB 3.25Å; Y227-C266 WeakPolarHBondContact O-CB 3.42Å; Y227-C266 PolarHBondContact O-N 2.81Å; R264-C266 PolarHBondContact NH1-SG 2.97Å; R264-C266 VanDerWaalsContact NH1-SG 3.4Å; R264-C266 PolarHBondContact NH2-SG 2.8Å; R264-C266 PolarHBondContact O-N 3.12Å; R264-C266 PolarHBondContact O-SG 2.81Å; R264-C266 VanDerWaalsContact O-SG 3.39Å |
| 267 | N | 82.4 | Confident | 73.4 | Confident | 24 Ų | 24 | 38 Ų | 38 | 13% | 0.128 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 166.5 | 171.4 | -150.1 | 22.2 | 0 | 0 | 0 | 111.4 | Y227 | Y227-N267 HydrophobicContact CD1-CB 3.66Å; Y227-N267 HydrophobicContact CE1-CB 2.98Å; Y227-N267 HydrophobicContact CE2-CB 4.11Å; Y227-N267 HydrophobicContact CG-CB 4.47Å; Y227-N267 PolarHBondContact N-O 3.44Å; Y227-N267 PolarHBondContact O-N 3.37Å; Y227-N267 VanDerWaalsContact OH-CB 3.27Å; Y227-N267 WeakPolarHBondContact OH-CB 3.37Å |
| 268 | I | 87.3 | Confident | 76.2 | Confident | 11 Ų | 11 | 39 Ų | 39 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 135.2 | 171.8 | -53.8 | 82.8 | 0 | 0 | 0 | 107.4 | Y224 F225 L265 L270 L725 | Y224-I268 HydrophobicContact CD2-CG2 3.95Å; Y224-I268 HydrophobicContact CG-CG2 4.43Å; F225-I268 CarbonylContact O-C 3.57Å; F225-I268 WeakPolarHBondContact O-CA 3.27Å; L265-I268 HydrophobicContact CD1-CD1 4.32Å; L265-I268 HydrophobicContact CD2-CD1 3.94Å; L265-I268 HydrophobicContact CG-CD1 4.3Å; I268-L270 HydrophobicContact CG2-CD2 3.89Å; I268-L725 HydrophobicContact CD1-CD2 4.49Å; I268-L725 HydrophobicContact CG1-CD2 3.51Å; I268-L725 HydrophobicContact CG1-CG 4.44Å; I268-L725 HydrophobicContact CG2-CD2 4.23Å |
| 269 | F | 90.9 | Very high | 78.8 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 98.4 | 178.3 | -170.9 | -84.1 | 0 | 0 | 0 | 108.7 | Y224 F225 F275 L292 Y293 N294 L299 | Y224-F269 CarbonylContact C-O 2.86Å; Y224-F269 VanDerWaalsContact CA-O 3.26Å; Y224-F269 WeakPolarHBondContact CA-O 3.18Å; Y224-F269 WeakPolarHBondContact CB-O 3.43Å; F225-F269 HydrophobicContact CB-CB 4.16Å; F225-F269 AromaticContact CD2-CD1 4Å; F225-F269 HydrophobicContact CD2-CD1 4Å; F225-F269 PolarHBondContact N-O 3.07Å; F225-F269 PolarHBondContact O-N 2.78Å; F269-F275 HydrophobicContact CE1-CD2 4.07Å; F269-F275 AromaticContact CE1-CE2 3.99Å; F269-F275 HydrophobicContact CE1-CE2 3.99Å; F269-L292 HydrophobicContact CE1-CB 3.94Å; F269-L292 HydrophobicContact CZ-CB 4Å; F269-Y293 VanDerWaalsContact CZ-C 3.43Å; F269-N294 HydrophobicContact CE1-CB 3.86Å; F269-N294 HydrophobicContact CE2-CB 4.48Å; F269-N294 HydrophobicContact CZ-CB 3.72Å; F269-N294 VanDerWaalsContact CZ-CG 3.43Å; F269-L299 HydrophobicContact CB-CD2 4.27Å; F269-L299 HydrophobicContact CD2-CB 3.82Å; F269-L299 HydrophobicContact CD2-CD2 4.13Å; F269-L299 HydrophobicContact CE2-CB 3.75Å; F269-L299 HydrophobicContact CG-CD2 4.28Å; F269-L299 HydrophobicContact CZ-CB 4.48Å |
| 270 | L | 92.7 | Very high | 81.2 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 139.4 | 179.6 | -59.6 | -177.8 | 0 | 0 | 0 | 110.4 | Y224 I268 N294 I694 Q695 P726 | Y224-L270 HydrophobicContact CG-CD2 4.37Å; I268-L270 HydrophobicContact CG2-CD2 3.89Å; L270-N294 PolarHBondContact O-ND2 2.92Å; L270-I694 HydrophobicContact CD1-CG2 4.45Å; L270-Q695 HydrophobicContact CD1-CB 3.66Å; L270-Q695 HydrophobicContact CD1-CG 4.1Å; L270-P726 HydrophobicContact CD2-CG 3.81Å |
| 271 | M | 92.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -77.5 | 140.9 | 166.8 | -60.8 | 175.6 | 175.1 | 0 | 0 | 109.3 | L220 S223 F225 F275 T325 I329 R691 | L220-M271 HydrophobicContact CD1-CE 3.48Å; L220-M271 VanDerWaalsContact CD1-CE 3.48Å; S223-M271 WeakPolarHBondContact O-CB 2.76Å; S223-M271 PolarHBondContact O-N 3.28Å; F225-M271 HydrophobicContact CD2-CE 4.02Å; F225-M271 HydrophobicContact CE2-CE 3.24Å; F225-M271 HydrophobicContact CE2-CG 4.38Å; F225-M271 HydrophobicContact CZ-CE 3.69Å; M271-F275 HydrophobicContact CB-CB 4.34Å; M271-F275 HydrophobicContact CB-CD2 4.08Å; M271-F275 HydrophobicContact CB-CG 4.14Å; M271-F275 HydrophobicContact CE-CE1 4.38Å; M271-F275 HydrophobicContact CE-CE2 4.34Å; M271-F275 HydrophobicContact CE-CZ 3.95Å; M271-F275 HydrophobicContact CG-CD2 3.73Å; M271-F275 HydrophobicContact CG-CE2 3.82Å; M271-F275 HydrophobicContact CG-CG 4.09Å; M271-F275 HydrophobicContact CG-CZ 4.22Å; M271-F275 HydrophobicContact SD-CZ 4.45Å; M271-T325 HydrophobicContact CE-CG2 4.49Å; M271-T325 HydrophobicContact SD-CG2 3.5Å; M271-T325 VanDerWaalsContact SD-CG2 3.5Å; M271-I329 HydrophobicContact CB-CD1 4.39Å; M271-I329 HydrophobicContact CB-CG1 4.21Å; M271-I329 HydrophobicContact SD-CD1 4.23Å; M271-R691 PolarHBondContact O-NH1 3.33Å; M271-R691 PolarHBondContact O-NH2 3.16Å | ||
| 272 | D | 89.4 | Confident | 84.8 | Confident | 9 Ų | 9 | 27.5 Ų | 27.5 | 5% | 0.048 | 13% | 0.134 | C | C | . | . | trans | -146.4 | -175.1 | 178.3 | 60.8 | 24 | 0 | 0 | 0 | 109.4 | N274 F275 N294 S295 F328 | D272-N274 PolarHBondContact O-N 3.23Å; D272-N274 WeakPolarHBondContact OD1-CA 3.44Å; D272-N274 WeakPolarHBondContact OD1-CB 3.44Å; D272-N274 PolarHBondContact OD1-N 2.95Å; D272-F275 WeakPolarHBondContact O-CA 3.41Å; D272-F275 WeakPolarHBondContact O-CB 3.25Å; D272-F275 PolarHBondContact O-N 2.78Å; D272-F275 PolarHBondContact OD1-N 2.82Å; D272-N294 WeakPolarHBondContact OD1-CA 3.28Å; D272-N294 WeakPolarHBondContact OD1-CB 2.99Å; D272-S295 PolarHBondContact OD1-N 3.18Å; D272-S295 PolarHBondContact OD1-OG 2.77Å; D272-S295 WeakPolarHBondContact OD2-CB 3.46Å; D272-S295 PolarHBondContact OD2-N 2.77Å; D272-S295 PolarHBondContact OD2-OG 2.91Å; D272-F328 CarbonylContact C-O 3.27Å; D272-F328 WeakPolarHBondContact CA-O 3.42Å | ||
| 273 | Q | 85.2 | Confident | 85.7 | Confident | 37 Ų | 37 | 34.1 Ų | 34.1 | 17% | 0.173 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -15 | -177.5 | -68.2 | 180 | -34.3 | 0 | 0 | 113.7 | F328 I329 Q330 S336 R779 | Q273-F328 PolarHBondContact N-O 3.25Å; Q273-I329 WeakPolarHBondContact CA-O 3.49Å; Q273-Q330 WeakPolarHBondContact CG-O 3.16Å; Q273-Q330 PolarHBondContact NE2-O 3.44Å; Q273-Q330 VanDerWaalsContact NE2-O 3.07Å; Q273-S336 PolarHBondContact NE2-O 2.95Å; Q273-R779 PolarHBondContact O-NE 3Å; Q273-R779 PolarHBondContact O-NH2 2.94Å |
| 274 | N | 83.4 | Confident | 86 | Confident | 24 Ų | 24 | 44.1 Ų | 44.1 | 13% | 0.128 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 13.8 | 173.7 | -65.8 | -67.7 | 0 | 0 | 0 | 111.7 | D272 A276 S295 R779 | D272-N274 PolarHBondContact O-N 3.23Å; D272-N274 WeakPolarHBondContact OD1-CA 3.44Å; D272-N274 WeakPolarHBondContact OD1-CB 3.44Å; D272-N274 PolarHBondContact OD1-N 2.95Å; N274-A276 PolarHBondContact O-N 3Å; N274-S295 PolarHBondContact ND2-OG 2.91Å; N274-R779 PolarHBondContact OD1-NH2 3.32Å |
| 275 | F | 90.3 | Very high | 86.3 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.022 | 21% | 0.205 | C | C | . | . | trans | -66.1 | 132.4 | 176.9 | -176.8 | -99.4 | 0 | 0 | 0 | 110.7 | F225 F269 M271 D272 F277 L292 Y293 I320 I329 F778 | F225-F275 AromaticContact CE2-CE2 3.72Å; F225-F275 HydrophobicContact CE2-CE2 3.72Å; F225-F275 AromaticContact CE2-CZ 3.81Å; F225-F275 HydrophobicContact CE2-CZ 3.81Å; F225-F275 HydrophobicContact CZ-CE2 4.47Å; F225-F275 HydrophobicContact CZ-CZ 4.17Å; F269-F275 HydrophobicContact CE1-CD2 4.07Å; F269-F275 AromaticContact CE1-CE2 3.99Å; F269-F275 HydrophobicContact CE1-CE2 3.99Å; M271-F275 HydrophobicContact CB-CB 4.34Å; M271-F275 HydrophobicContact CB-CD2 4.08Å; M271-F275 HydrophobicContact CB-CG 4.14Å; M271-F275 HydrophobicContact CE-CE1 4.38Å; M271-F275 HydrophobicContact CE-CE2 4.34Å; M271-F275 HydrophobicContact CE-CZ 3.95Å; M271-F275 HydrophobicContact CG-CD2 3.73Å; M271-F275 HydrophobicContact CG-CE2 3.82Å; M271-F275 HydrophobicContact CG-CG 4.09Å; M271-F275 HydrophobicContact CG-CZ 4.22Å; M271-F275 HydrophobicContact SD-CZ 4.45Å; D272-F275 WeakPolarHBondContact O-CA 3.41Å; D272-F275 WeakPolarHBondContact O-CB 3.25Å; D272-F275 PolarHBondContact O-N 2.78Å; D272-F275 PolarHBondContact OD1-N 2.82Å; F275-F277 AromaticContact CE1-CD1 3.93Å; F275-F277 HydrophobicContact CE1-CD1 3.93Å; F275-F277 HydrophobicContact CZ-CD1 4.38Å; F275-L292 HydrophobicContact CZ-CD2 4.37Å; F275-Y293 VanDerWaalsContact CA-O 3.23Å; F275-Y293 WeakPolarHBondContact CA-O 3.41Å; F275-Y293 WeakPolarHBondContact CD2-O 3.41Å; F275-I320 HydrophobicContact CD1-CG2 4.47Å; F275-I320 HydrophobicContact CE1-CG2 3.99Å; F275-I329 HydrophobicContact CB-CD1 4.24Å; F275-I329 HydrophobicContact CB-CG1 4Å; F275-I329 HydrophobicContact CB-CG2 4.5Å; F275-I329 HydrophobicContact CD1-CD1 3.56Å; F275-I329 HydrophobicContact CD1-CG1 4.27Å; F275-I329 HydrophobicContact CE1-CD1 4.24Å; F275-I329 HydrophobicContact CG-CD1 4.14Å; F275-I329 HydrophobicContact CG-CG1 4.42Å; F275-F778 WeakPolarHBondContact O-CD1 3.32Å; F275-F778 WeakPolarHBondContact O-CE1 3.47Å | ||
| 276 | A | 89.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 160.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | N274 Y293 F774 R775 F778 | N274-A276 PolarHBondContact O-N 3Å; A276-Y293 HydrophobicContact CB-CD2 4.18Å; A276-Y293 PolarHBondContact N-O 2.83Å; A276-Y293 WeakPolarHBondContact O-CD2 3.33Å; A276-Y293 PolarHBondContact O-N 2.9Å; A276-F774 HydrophobicContact CB-CD1 4.44Å; A276-F774 HydrophobicContact CB-CE1 3.87Å; A276-R775 HydrophobicContact CB-CG 4.39Å; A276-F778 HydrophobicContact CB-CB 3.84Å; A276-F778 HydrophobicContact CB-CD1 3.58Å; A276-F778 HydrophobicContact CB-CD2 4.16Å; A276-F778 HydrophobicContact CB-CE1 4.18Å; A276-F778 HydrophobicContact CB-CG 3.58Å |
| 277 | F | 92.8 | Very high | 87 | Confident | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 154.7 | 170.9 | 68.8 | -84.8 | 0 | 0 | 0 | 111.8 | F275 K291 L292 N313 L316 I320 F774 F778 | F275-F277 AromaticContact CE1-CD1 3.93Å; F275-F277 HydrophobicContact CE1-CD1 3.93Å; F275-F277 HydrophobicContact CZ-CD1 4.38Å; F277-K291 CarbonylContact C-O 3.6Å; F277-K291 WeakPolarHBondContact CA-O 3.02Å; F277-L292 HydrophobicContact CB-CD2 3.7Å; F277-N313 WeakPolarHBondContact CE2-OD1 3.3Å; F277-L316 HydrophobicContact CB-CD1 4.44Å; F277-L316 HydrophobicContact CD1-CB 4.21Å; F277-L316 HydrophobicContact CD2-CB 4.13Å; F277-L316 HydrophobicContact CD2-CD1 3.93Å; F277-L316 HydrophobicContact CE1-CB 3.81Å; F277-L316 HydrophobicContact CE2-CB 3.74Å; F277-L316 HydrophobicContact CE2-CD1 4.34Å; F277-L316 HydrophobicContact CG-CB 4.36Å; F277-L316 HydrophobicContact CG-CD1 4.05Å; F277-L316 HydrophobicContact CZ-CB 3.57Å; F277-I320 HydrophobicContact CE1-CD1 4.23Å; F277-I320 HydrophobicContact CE1-CG2 4Å; F277-F774 WeakPolarHBondContact O-CZ 3.31Å; F277-F778 AromaticContact CD1-CE2 3.88Å; F277-F778 HydrophobicContact CD1-CE2 3.88Å; F277-F778 AromaticContact CD1-CZ 3.82Å; F277-F778 HydrophobicContact CD1-CZ 3.82Å; F277-F778 AromaticContact CE1-CE2 3.82Å; F277-F778 HydrophobicContact CE1-CE2 3.82Å; F277-F778 AromaticContact CE1-CZ 3.74Å; F277-F778 HydrophobicContact CE1-CZ 3.74Å; F277-F778 HydrophobicContact CZ-CE2 4.46Å |
| 278 | K | 90.5 | Very high | 87.5 | Confident | 68 Ų | 68 | 44.5 Ų | 44.5 | 30% | 0.296 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 150.3 | 169.1 | 68.9 | -168.8 | -168.6 | -168.8 | 0 | 112.1 | K291 Y293 F774 | K278-K291 HydrophobicContact CG-CB 4.11Å; K278-K291 PolarHBondContact N-O 2.85Å; K278-K291 PolarHBondContact O-N 3.39Å; K278-Y293 HydrophobicContact CD-CE2 4.36Å; K278-Y293 WeakPolarHBondContact CE-OH 3.4Å; K278-Y293 HydrophobicContact CG-CE2 4.18Å; K278-F774 HydrophobicContact CB-CE1 4.17Å; K278-F774 HydrophobicContact CB-CE2 4.09Å; K278-F774 HydrophobicContact CB-CZ 3.6Å; K278-F774 HydrophobicContact CD-CD1 4.17Å; K278-F774 HydrophobicContact CD-CD2 4.07Å; K278-F774 HydrophobicContact CD-CE1 3.95Å; K278-F774 HydrophobicContact CD-CE2 3.85Å; K278-F774 HydrophobicContact CD-CG 4.24Å; K278-F774 HydrophobicContact CD-CZ 3.82Å; K278-F774 HydrophobicContact CG-CE1 4.31Å; K278-F774 HydrophobicContact CG-CZ 4.16Å |
| 279 | T | 92.1 | Very high | 87.7 | Confident | 45 Ų | 45 | 45 Ų | 45 | 28% | 0.276 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 146.3 | 170.3 | 54.1 | 0 | 0 | 0 | 0 | 110 | Q289 L290 M309 N313 | T279-Q289 CarbonylContact C-O 3.59Å; T279-Q289 WeakPolarHBondContact CA-O 3.29Å; T279-L290 HydrophobicContact CG2-CD1 4.05Å; T279-M309 HydrophobicContact CG2-CG 3.54Å; T279-M309 HydrophobicContact CG2-SD 4.11Å; T279-N313 HydrophobicContact CG2-CB 3.92Å |
| 280 | R | 89.2 | Confident | 87.8 | Confident | 107 Ų | 107 | 44.3 Ų | 44.3 | 40% | 0.404 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 135.2 | 174.9 | 179.3 | 179.5 | -178.6 | -167.8 | 3.7 | 109.8 | E283 Q289 | R280-E283 IonicContact CZ-OE1 2.78Å; R280-E283 IonicContact NH2-OE1 3.78Å; R280-E283 PolarHBondContact NH2-OE1 3.32Å; R280-E283 IonicContact NH2-OE2 2.96Å; R280-Q289 PolarHBondContact N-O 2.89Å; R280-Q289 WeakPolarHBondContact O-CA 3.5Å; R280-Q289 WeakPolarHBondContact O-CB 3.22Å; R280-Q289 PolarHBondContact O-N 3.1Å |
| 281 | I | 89.8 | Confident | 87.7 | Confident | 86 Ų | 86 | 45.7 Ų | 45.7 | 44% | 0.441 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 118.1 | 161.6 | -57.1 | 175.6 | 0 | 0 | 0 | 107.5 | E283 Q287 M309 | I281-E283 PolarHBondContact O-N 3.34Å; I281-E283 VanDerWaalsContact O-N 3.14Å; I281-Q287 WeakPolarHBondContact CA-O 3.33Å; I281-M309 HydrophobicContact CG1-CE 3.97Å |
| 282 | A | 83.1 | Confident | 87.7 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 105.9 | -177 | 0 | 0 | 0 | 0 | 0 | 110.7 | R284 S285 G286 Q287 Q289 | A282-R284 VanDerWaalsContact C-N 3.27Å; A282-R284 PolarHBondContact O-N 3.21Å; A282-S285 VanDerWaalsContact CB-OG 3.31Å; A282-S285 WeakPolarHBondContact CB-OG 3.38Å; A282-S285 PolarHBondContact O-N 2.89Å; A282-G286 PolarHBondContact O-N 2.7Å; A282-Q287 HydrophobicContact CB-CB 4.29Å; A282-Q287 PolarHBondContact N-O 3.34Å; A282-Q289 HydrophobicContact CB-CG 4.48Å |
| 283 | E | 79.7 | Confident | 87.6 | Confident | 159 Ų | 159 | 46 Ų | 46 | 74% | 0.743 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -36.2 | -50.5 | -177 | -72.1 | 150.7 | -136.9 | 0 | 0 | 114.8 | R280 I281 | R280-E283 IonicContact CZ-OE1 2.78Å; R280-E283 IonicContact NH2-OE1 3.78Å; R280-E283 PolarHBondContact NH2-OE1 3.32Å; R280-E283 IonicContact NH2-OE2 2.96Å; I281-E283 PolarHBondContact O-N 3.34Å; I281-E283 VanDerWaalsContact O-N 3.14Å |
| 284 | R | 76.9 | Confident | 87.7 | Confident | 215 Ų | 215 | 44.4 Ų | 44.4 | 81% | 0.811 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78 | -21.4 | -175.5 | -69 | -174.9 | 176.8 | 163.7 | -1.5 | 115.4 | A282 | A282-R284 VanDerWaalsContact C-N 3.27Å; A282-R284 PolarHBondContact O-N 3.21Å |
| 285 | S | 79.1 | Confident | 87.5 | Confident | 40 Ų | 40 | 43.8 Ų | 43.8 | 28% | 0.28 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.7 | -7.4 | -170.8 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | A282 Q287 | A282-S285 VanDerWaalsContact CB-OG 3.31Å; A282-S285 WeakPolarHBondContact CB-OG 3.38Å; A282-S285 PolarHBondContact O-N 2.89Å; S285-Q287 PolarHBondContact O-N 3.01Å; S285-Q287 WeakPolarHBondContact OG-CG 3.24Å; S285-Q287 PolarHBondContact OG-N 3.48Å |
| 286 | G | 83.9 | Confident | 87.1 | Confident | 48 Ų | 48 | 45.4 Ų | 45.4 | 50% | 0.495 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 2.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A282 C288 | A282-G286 PolarHBondContact O-N 2.7Å; G286-C288 PolarHBondContact O-N 2.68Å |
| 287 | Q | 87.1 | Confident | 86.7 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 125.9 | -173.7 | -69.7 | 175.5 | -6.9 | 0 | 0 | 111.5 | C207 I281 A282 S285 Q289 I302 | C207-Q287 PolarHBondContact O-NE2 3.16Å; C207-Q287 VanDerWaalsContact O-NE2 3.14Å; I281-Q287 WeakPolarHBondContact CA-O 3.33Å; A282-Q287 HydrophobicContact CB-CB 4.29Å; A282-Q287 PolarHBondContact N-O 3.34Å; S285-Q287 PolarHBondContact O-N 3.01Å; S285-Q287 WeakPolarHBondContact OG-CG 3.24Å; S285-Q287 PolarHBondContact OG-N 3.48Å; Q287-Q289 HydrophobicContact CB-CG 4.3Å; Q287-Q289 PolarHBondContact O-N 3.29Å; Q287-I302 HydrophobicContact CB-CG2 4.19Å; Q287-I302 HydrophobicContact CG-CG2 4.34Å; Q287-I302 VanDerWaalsContact OE1-CD1 3.28Å |
| 288 | C | 92.5 | Very high | 86.3 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 10% | 0.095 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 98.4 | 172.2 | -57.3 | 0 | 0 | 0 | 0 | 109.8 | G286 I302 C303 S305 N306 M309 | G286-C288 PolarHBondContact O-N 2.68Å; C288-I302 CarbonylContact O-C 3.51Å; C288-I302 WeakPolarHBondContact O-CA 3.02Å; C288-C303 HydrophobicContact CB-CB 4.14Å; C288-C303 PolarHBondContact O-N 2.86Å; C288-S305 VanDerWaalsContact SG-C 3.54Å; C288-N306 PolarHBondContact SG-N 3.37Å; C288-N306 VanDerWaalsContact SG-N 3.38Å; C288-M309 HydrophobicContact CB-CB 4.11Å; C288-M309 HydrophobicContact CB-CE 4.26Å; C288-M309 HydrophobicContact CB-SD 3.78Å |
| 289 | Q | 91.3 | Very high | 86.1 | Confident | 20 Ų | 20 | 47.8 Ų | 47.8 | 9% | 0.093 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 124 | -175.1 | -63.8 | -178.1 | -3.3 | 0 | 0 | 111.9 | T279 R280 A282 Q287 V301 I302 | T279-Q289 CarbonylContact C-O 3.59Å; T279-Q289 WeakPolarHBondContact CA-O 3.29Å; R280-Q289 PolarHBondContact N-O 2.89Å; R280-Q289 WeakPolarHBondContact O-CA 3.5Å; R280-Q289 WeakPolarHBondContact O-CB 3.22Å; R280-Q289 PolarHBondContact O-N 3.1Å; A282-Q289 HydrophobicContact CB-CG 4.48Å; Q287-Q289 HydrophobicContact CB-CG 4.3Å; Q287-Q289 PolarHBondContact O-N 3.29Å; Q289-V301 CarbonylContact C-O 3.52Å; Q289-V301 WeakPolarHBondContact CA-O 3.25Å; Q289-I302 HydrophobicContact CG-CG1 4.35Å |
| 290 | L | 93.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 120.4 | 161.5 | 175.8 | 65 | 0 | 0 | 0 | 108.8 | T279 L292 V301 W312 L316 | T279-L290 HydrophobicContact CG2-CD1 4.05Å; L290-L292 HydrophobicContact CD1-CD2 4.19Å; L290-L292 HydrophobicContact CD2-CD2 4.32Å; L290-L292 HydrophobicContact CG-CD2 4.14Å; L290-L292 HydrophobicContact CG-CG 4.42Å; L290-V301 HydrophobicContact CB-CB 4.44Å; L290-V301 PolarHBondContact N-O 3.43Å; L290-V301 PolarHBondContact O-N 3.43Å; L290-W312 HydrophobicContact CD2-CB 4.02Å; L290-W312 HydrophobicContact CD2-CD2 4.12Å; L290-W312 HydrophobicContact CD2-CE3 4.3Å; L290-W312 HydrophobicContact CD2-CG 4.01Å; L290-L316 HydrophobicContact CD1-CD1 4Å; L290-L316 HydrophobicContact CD2-CD1 4.26Å |
| 291 | K | 90.8 | Very high | 86 | Confident | 35 Ų | 35 | 42.3 Ų | 42.3 | 15% | 0.152 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.9 | 177.4 | -58.5 | -167.3 | 176.5 | -171 | 0 | 109.8 | F277 K278 Y293 V300 | F277-K291 CarbonylContact C-O 3.6Å; F277-K291 WeakPolarHBondContact CA-O 3.02Å; K278-K291 HydrophobicContact CG-CB 4.11Å; K278-K291 PolarHBondContact N-O 2.85Å; K278-K291 PolarHBondContact O-N 3.39Å; K291-Y293 HydrophobicContact CB-CE2 3.8Å; K291-Y293 WeakPolarHBondContact CB-OH 3.1Å; K291-Y293 VanDerWaalsContact CD-OH 3.29Å; K291-Y293 WeakPolarHBondContact CD-OH 2.99Å; K291-V300 HydrophobicContact CD-CG2 4.21Å; K291-V300 HydrophobicContact CG-CG1 4.23Å; K291-V300 HydrophobicContact CG-CG2 4.09Å |
| 292 | L | 91.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 141.1 | 175.6 | -52.7 | 173.3 | 0 | 0 | 0 | 109.1 | F225 F269 F275 F277 L290 E298 L299 L316 | F225-L292 HydrophobicContact CD1-CD1 3.95Å; F225-L292 HydrophobicContact CD2-CD1 3.96Å; F225-L292 HydrophobicContact CE1-CD1 3.78Å; F225-L292 HydrophobicContact CE1-CD2 4.45Å; F225-L292 HydrophobicContact CE2-CD1 3.81Å; F225-L292 HydrophobicContact CE2-CD2 4.3Å; F225-L292 HydrophobicContact CG-CD1 4.01Å; F225-L292 HydrophobicContact CZ-CD1 3.7Å; F225-L292 HydrophobicContact CZ-CD2 3.87Å; F225-L292 HydrophobicContact CZ-CG 4.43Å; F269-L292 HydrophobicContact CE1-CB 3.94Å; F269-L292 HydrophobicContact CZ-CB 4Å; F275-L292 HydrophobicContact CZ-CD2 4.37Å; F277-L292 HydrophobicContact CB-CD2 3.7Å; L290-L292 HydrophobicContact CD1-CD2 4.19Å; L290-L292 HydrophobicContact CD2-CD2 4.32Å; L290-L292 HydrophobicContact CG-CD2 4.14Å; L290-L292 HydrophobicContact CG-CG 4.42Å; L292-E298 CarbonylContact O-C 3.31Å; L292-E298 VanDerWaalsContact O-CA 3.3Å; L292-E298 WeakPolarHBondContact O-CA 3.21Å; L292-L299 HydrophobicContact CB-CB 4.32Å; L292-L299 HydrophobicContact CD1-CD2 4.19Å; L292-L299 PolarHBondContact N-O 3.09Å; L292-L299 PolarHBondContact O-N 3.04Å; L292-L316 HydrophobicContact CD2-CD1 4.07Å |
| 293 | Y | 86.9 | Confident | 86.6 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 148.9 | 179.6 | -54.9 | -87.8 | 0 | 0 | 0 | 110 | F269 F275 A276 K278 K291 G297 E298 F774 R775 | F269-Y293 VanDerWaalsContact CZ-C 3.43Å; F275-Y293 VanDerWaalsContact CA-O 3.23Å; F275-Y293 WeakPolarHBondContact CA-O 3.41Å; F275-Y293 WeakPolarHBondContact CD2-O 3.41Å; A276-Y293 HydrophobicContact CB-CD2 4.18Å; A276-Y293 PolarHBondContact N-O 2.83Å; A276-Y293 WeakPolarHBondContact O-CD2 3.33Å; A276-Y293 PolarHBondContact O-N 2.9Å; K278-Y293 HydrophobicContact CD-CE2 4.36Å; K278-Y293 WeakPolarHBondContact CE-OH 3.4Å; K278-Y293 HydrophobicContact CG-CE2 4.18Å; K291-Y293 HydrophobicContact CB-CE2 3.8Å; K291-Y293 WeakPolarHBondContact CB-OH 3.1Å; K291-Y293 VanDerWaalsContact CD-OH 3.29Å; K291-Y293 WeakPolarHBondContact CD-OH 2.99Å; Y293-G297 WeakPolarHBondContact CA-O 3.35Å; Y293-E298 HydrophobicContact CD1-CB 3.71Å; Y293-E298 HydrophobicContact CE1-CB 3.76Å; Y293-F774 HydrophobicContact CD2-CD1 4.19Å; Y293-F774 AromaticContact CD2-CE1 4Å; Y293-F774 HydrophobicContact CD2-CE1 4Å; Y293-F774 AromaticContact CE2-CD1 3.94Å; Y293-F774 HydrophobicContact CE2-CD1 3.94Å; Y293-F774 AromaticContact CE2-CE1 3.81Å; Y293-F774 HydrophobicContact CE2-CE1 3.81Å; Y293-R775 HydrophobicContact CG-CG 4.49Å |
| 294 | N | 87.1 | Confident | 87 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | -173.3 | 167.3 | 69 | 1.8 | 0 | 0 | 0 | 108.2 | F269 L270 D272 L296 G297 R775 | F269-N294 HydrophobicContact CE1-CB 3.86Å; F269-N294 HydrophobicContact CE2-CB 4.48Å; F269-N294 HydrophobicContact CZ-CB 3.72Å; F269-N294 VanDerWaalsContact CZ-CG 3.43Å; L270-N294 PolarHBondContact O-ND2 2.92Å; D272-N294 WeakPolarHBondContact OD1-CA 3.28Å; D272-N294 WeakPolarHBondContact OD1-CB 2.99Å; N294-L296 PolarHBondContact O-N 2.8Å; N294-L296 WeakPolarHBondContact OD1-CA 3.28Å; N294-L296 WeakPolarHBondContact OD1-CB 3.4Å; N294-L296 PolarHBondContact OD1-N 3.37Å; N294-G297 PolarHBondContact N-O 3.17Å; N294-G297 VanDerWaalsContact N-O 3.12Å; N294-G297 PolarHBondContact O-N 3.26Å; N294-G297 PolarHBondContact OD1-N 3.09Å; N294-R775 PolarHBondContact O-NH2 3.34Å |
| 295 | S | 81.1 | Confident | 87.5 | Confident | 11 Ų | 11 | 26.7 Ų | 26.7 | 8% | 0.077 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.7 | 178.6 | -47 | 0 | 0 | 0 | 0 | 112.7 | D272 N274 V766 | D272-S295 PolarHBondContact OD1-N 3.18Å; D272-S295 PolarHBondContact OD1-OG 2.77Å; D272-S295 WeakPolarHBondContact OD2-CB 3.46Å; D272-S295 PolarHBondContact OD2-N 2.77Å; D272-S295 PolarHBondContact OD2-OG 2.91Å; N274-S295 PolarHBondContact ND2-OG 2.91Å; S295-V766 VanDerWaalsContact O-CG1 3.26Å; S295-V766 WeakPolarHBondContact O-CG1 3.32Å; S295-V766 WeakPolarHBondContact O-CG2 3.49Å |
| 296 | L | 81.6 | Confident | 88 | Confident | 39 Ų | 39 | 27.9 Ų | 27.9 | 20% | 0.204 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -18.6 | -175.7 | -63.5 | 176.7 | 0 | 0 | 0 | 113.9 | N294 Q695 Q699 L764 V766 | N294-L296 PolarHBondContact O-N 2.8Å; N294-L296 WeakPolarHBondContact OD1-CA 3.28Å; N294-L296 WeakPolarHBondContact OD1-CB 3.4Å; N294-L296 PolarHBondContact OD1-N 3.37Å; L296-Q695 HydrophobicContact CD1-CG 4.28Å; L296-Q699 HydrophobicContact CD1-CB 4.42Å; L296-Q699 HydrophobicContact CD2-CB 4.5Å; L296-Q699 HydrophobicContact CD2-CG 4.02Å; L296-L764 WeakPolarHBondContact CD2-O 3.41Å; L296-V766 HydrophobicContact CD2-CG2 3.88Å |
| 297 | G | 80.5 | Confident | 88.1 | Confident | 25 Ų | 25 | 29.7 Ų | 29.7 | 26% | 0.258 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.6 | -149.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y293 N294 R775 | Y293-G297 WeakPolarHBondContact CA-O 3.35Å; N294-G297 PolarHBondContact N-O 3.17Å; N294-G297 VanDerWaalsContact N-O 3.12Å; N294-G297 PolarHBondContact O-N 3.26Å; N294-G297 PolarHBondContact OD1-N 3.09Å; G297-R775 PolarHBondContact O-NH2 3.3Å |
| 298 | E | 84.5 | Confident | 88.2 | Confident | 95 Ų | 95 | 29.6 Ų | 29.6 | 44% | 0.444 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 143.7 | 176.6 | 71.7 | -178.6 | 172.5 | 0 | 0 | 111.3 | L292 Y293 V300 | L292-E298 CarbonylContact O-C 3.31Å; L292-E298 VanDerWaalsContact O-CA 3.3Å; L292-E298 WeakPolarHBondContact O-CA 3.21Å; Y293-E298 HydrophobicContact CD1-CB 3.71Å; Y293-E298 HydrophobicContact CE1-CB 3.76Å; E298-V300 HydrophobicContact CG-CG2 4.5Å |
| 299 | L | 86.2 | Confident | 88.2 | Confident | 12 Ų | 12 | 29.1 Ų | 29.1 | 6% | 0.063 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113 | 169.6 | 174.4 | 60 | 0 | 0 | 0 | 108.3 | Y227 F269 L292 V301 | Y227-L299 HydrophobicContact CD1-CD1 4.49Å; Y227-L299 HydrophobicContact CD1-CD2 4.19Å; Y227-L299 HydrophobicContact CE1-CD1 4.21Å; Y227-L299 HydrophobicContact CE1-CD2 4.48Å; F269-L299 HydrophobicContact CB-CD2 4.27Å; F269-L299 HydrophobicContact CD2-CB 3.82Å; F269-L299 HydrophobicContact CD2-CD2 4.13Å; F269-L299 HydrophobicContact CE2-CB 3.75Å; F269-L299 HydrophobicContact CG-CD2 4.28Å; F269-L299 HydrophobicContact CZ-CB 4.48Å; L292-L299 HydrophobicContact CB-CB 4.32Å; L292-L299 HydrophobicContact CD1-CD2 4.19Å; L292-L299 PolarHBondContact N-O 3.09Å; L292-L299 PolarHBondContact O-N 3.04Å; L299-V301 HydrophobicContact CD1-CG2 4.38Å; L299-V301 HydrophobicContact CG-CG2 4.06Å |
| 300 | V | 88.2 | Confident | 88.2 | Confident | 32 Ų | 32 | 31.5 Ų | 31.5 | 19% | 0.194 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125.1 | 176.1 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | K291 E298 | K291-V300 HydrophobicContact CD-CG2 4.21Å; K291-V300 HydrophobicContact CG-CG1 4.23Å; K291-V300 HydrophobicContact CG-CG2 4.09Å; E298-V300 HydrophobicContact CG-CG2 4.5Å |
| 301 | V | 91.5 | Very high | 88 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 4% | 0.036 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.8 | 180 | 178.7 | 0 | 0 | 0 | 0 | 108.7 | V193 L218 Q289 L290 L299 | V193-V301 HydrophobicContact CB-CG1 3.32Å; V193-V301 HydrophobicContact CG1-CG1 3.69Å; V193-V301 HydrophobicContact CG2-CG1 3.41Å; V193-V301 VanDerWaalsContact CG2-CG1 3.41Å; L218-V301 HydrophobicContact CD2-CG1 4.38Å; L218-V301 HydrophobicContact CD2-CG2 4.32Å; Q289-V301 CarbonylContact C-O 3.52Å; Q289-V301 WeakPolarHBondContact CA-O 3.25Å; L290-V301 HydrophobicContact CB-CB 4.44Å; L290-V301 PolarHBondContact N-O 3.43Å; L290-V301 PolarHBondContact O-N 3.43Å; L299-V301 HydrophobicContact CD1-CG2 4.38Å; L299-V301 HydrophobicContact CG-CG2 4.06Å |
| 302 | I | 92 | Very high | 88.2 | Confident | 6 Ų | 6 | 31 Ų | 31 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 114.9 | 177.3 | -63.8 | 165.2 | 0 | 0 | 0 | 108.1 | N194 L196 L213 Q287 C288 Q289 | N194-I302 HydrophobicContact CB-CB 3.95Å; N194-I302 HydrophobicContact CB-CG2 4.31Å; N194-I302 WeakPolarHBondContact CB-O 2.87Å; N194-I302 PolarHBondContact N-O 2.86Å; N194-I302 PolarHBondContact O-N 3.47Å; L196-I302 HydrophobicContact CD1-CD1 4.45Å; L196-I302 HydrophobicContact CD2-CD1 3.67Å; L196-I302 HydrophobicContact CG-CD1 3.69Å; L213-I302 HydrophobicContact CD2-CD1 3.43Å; L213-I302 VanDerWaalsContact CD2-CD1 3.43Å; Q287-I302 HydrophobicContact CB-CG2 4.19Å; Q287-I302 HydrophobicContact CG-CG2 4.34Å; Q287-I302 VanDerWaalsContact OE1-CD1 3.28Å; C288-I302 CarbonylContact O-C 3.51Å; C288-I302 WeakPolarHBondContact O-CA 3.02Å; Q289-I302 HydrophobicContact CG-CG1 4.35Å |
| 303 | C | 92 | Very high | 88.2 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.034 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 155.3 | 174.1 | -55.9 | 0 | 0 | 0 | 0 | 110.3 | C288 S305 R308 M309 | C288-C303 HydrophobicContact CB-CB 4.14Å; C288-C303 PolarHBondContact O-N 2.86Å; C303-S305 VanDerWaalsContact C-N 3.35Å; C303-R308 HydrophobicContact CB-CB 4.27Å; C303-M309 HydrophobicContact CB-CB 3.92Å |
| 304 | Q | 88.1 | Confident | 88.4 | Confident | 91 Ų | 91 | 40.1 Ų | 40.1 | 43% | 0.425 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -70.3 | -32 | -178 | -69.1 | 84.6 | -25.7 | 0 | 0 | 112.7 | C192 | C192-Q304 VanDerWaalsContact C-NE2 3.27Å; C192-Q304 PolarHBondContact O-NE2 3.2Å; C192-Q304 PolarHBondContact O-OE1 3.44Å |
| 305 | S | 87.7 | Confident | 88.6 | Confident | 40 Ų | 40 | 42 Ų | 42 | 28% | 0.28 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -148.5 | 168.7 | -178.9 | 69.5 | 0 | 0 | 0 | 0 | 110.7 | C288 C303 D307 R308 M309 | C288-S305 VanDerWaalsContact SG-C 3.54Å; C303-S305 VanDerWaalsContact C-N 3.35Å; S305-D307 VanDerWaalsContact C-N 3.29Å; S305-D307 PolarHBondContact OG-N 3.07Å; S305-R308 PolarHBondContact O-N 3.42Å; S305-R308 WeakPolarHBondContact OG-CG 3.21Å; S305-R308 PolarHBondContact OG-N 3.05Å; S305-M309 PolarHBondContact O-N 3.45Å |
| 306 | N | 89.1 | Confident | 89.2 | Confident | 65 Ų | 65 | 41.4 Ų | 41.4 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 173 | -168.2 | 45.9 | 0 | 0 | 0 | 111.1 | C288 R308 M309 N310 | C288-N306 PolarHBondContact SG-N 3.37Å; C288-N306 VanDerWaalsContact SG-N 3.38Å; N306-R308 PolarHBondContact O-N 2.83Å; N306-M309 WeakPolarHBondContact O-CB 3.43Å; N306-M309 PolarHBondContact O-N 3Å; N306-M309 VanDerWaalsContact O-N 3.14Å; N306-M309 VanDerWaalsContact OD1-CE 3.24Å; N306-M309 WeakPolarHBondContact OD1-CE 3.35Å; N306-N310 PolarHBondContact ND2-ND2 2.87Å; N306-N310 VanDerWaalsContact O-CG 3.27Å; N306-N310 PolarHBondContact O-N 3.12Å; N306-N310 PolarHBondContact O-ND2 2.98Å |
| 307 | D | 86.9 | Confident | 89.6 | Confident | 87 Ų | 87 | 41.9 Ų | 41.9 | 47% | 0.465 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.5 | -43.3 | -179.7 | -53.6 | -34.5 | 0 | 0 | 0 | 111.9 | S305 M309 N310 E311 | S305-D307 VanDerWaalsContact C-N 3.29Å; S305-D307 PolarHBondContact OG-N 3.07Å; D307-M309 VanDerWaalsContact C-N 3.32Å; D307-M309 PolarHBondContact O-N 3.38Å; D307-N310 PolarHBondContact O-N 3.2Å; D307-E311 WeakPolarHBondContact O-CB 3.38Å; D307-E311 PolarHBondContact O-N 3.01Å |
| 308 | R | 89 | Confident | 90 | Very high | 19 Ų | 19 | 44 Ų | 44 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62 | -40.8 | 174.5 | -68.8 | -69 | 177.6 | -149.5 | -3.8 | 111.9 | F94 R95 E99 E173 C303 S305 N306 N310 E311 W312 | F94-R308 PolarHBondContact O-NH1 2.91Å; F94-R308 PolarHBondContact O-NH2 3.35Å; F94-R308 VanDerWaalsContact O-NH2 3.16Å; R95-R308 VanDerWaalsContact NH1-NH2 3.12Å; E99-R308 IonicContact OE1-CZ 2.71Å; E99-R308 IonicContact OE1-NE 3.05Å; E99-R308 IonicContact OE1-NH2 3.61Å; E99-R308 PolarHBondContact OE1-NH2 3.43Å; E99-R308 IonicContact OE2-NH2 3.22Å; E99-R308 PolarHBondContact OE2-NH2 3.18Å; E173-R308 IonicContact OE1-NH1 3.09Å; C303-R308 HydrophobicContact CB-CB 4.27Å; S305-R308 PolarHBondContact O-N 3.42Å; S305-R308 WeakPolarHBondContact OG-CG 3.21Å; S305-R308 PolarHBondContact OG-N 3.05Å; N306-R308 PolarHBondContact O-N 2.83Å; R308-N310 VanDerWaalsContact C-N 3.35Å; R308-E311 IonicContact CZ-OE2 4Å; R308-E311 IonicContact NH1-OE2 3.35Å; R308-E311 PolarHBondContact NH1-OE2 3.14Å; R308-E311 PolarHBondContact O-N 2.85Å; R308-W312 VanDerWaalsContact O-CD1 3.24Å; R308-W312 PolarHBondContact O-N 2.85Å; R308-W312 VanDerWaalsContact O-N 3.09Å |
| 309 | M | 92.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 175.7 | -173.6 | -179.2 | 65.7 | 0 | 0 | 111.9 | T279 I281 C288 C303 S305 N306 D307 W312 N313 | T279-M309 HydrophobicContact CG2-CG 3.54Å; T279-M309 HydrophobicContact CG2-SD 4.11Å; I281-M309 HydrophobicContact CG1-CE 3.97Å; C288-M309 HydrophobicContact CB-CB 4.11Å; C288-M309 HydrophobicContact CB-CE 4.26Å; C288-M309 HydrophobicContact CB-SD 3.78Å; C303-M309 HydrophobicContact CB-CB 3.92Å; S305-M309 PolarHBondContact O-N 3.45Å; N306-M309 WeakPolarHBondContact O-CB 3.43Å; N306-M309 PolarHBondContact O-N 3Å; N306-M309 VanDerWaalsContact O-N 3.14Å; N306-M309 VanDerWaalsContact OD1-CE 3.24Å; N306-M309 WeakPolarHBondContact OD1-CE 3.35Å; D307-M309 VanDerWaalsContact C-N 3.32Å; D307-M309 PolarHBondContact O-N 3.38Å; M309-W312 PolarHBondContact O-N 2.81Å; M309-N313 WeakPolarHBondContact O-CB 3.36Å; M309-N313 PolarHBondContact O-N 2.96Å |
| 310 | N | 90.8 | Very high | 90.4 | Very high | 70 Ų | 70 | 39.3 Ų | 39.3 | 37% | 0.374 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.9 | -36 | 176.6 | -69.5 | -23.8 | 0 | 0 | 0 | 112.2 | N306 D307 R308 N313 K314 | N306-N310 PolarHBondContact ND2-ND2 2.87Å; N306-N310 VanDerWaalsContact O-CG 3.27Å; N306-N310 PolarHBondContact O-N 3.12Å; N306-N310 PolarHBondContact O-ND2 2.98Å; D307-N310 PolarHBondContact O-N 3.2Å; R308-N310 VanDerWaalsContact C-N 3.35Å; N310-N313 WeakPolarHBondContact O-CB 3.21Å; N310-N313 PolarHBondContact O-N 3.35Å; N310-K314 WeakPolarHBondContact O-CB 3.3Å; N310-K314 PolarHBondContact O-N 2.98Å |
| 311 | E | 90.3 | Very high | 90.5 | Very high | 24 Ų | 24 | 41 Ų | 41 | 11% | 0.112 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.4 | -49.1 | 172.2 | -175.2 | -179.8 | -169.7 | 0 | 0 | 110.9 | F94 K189 D307 R308 N313 K314 I315 | F94-E311 WeakPolarHBondContact CD2-OE1 3.39Å; K189-E311 VanDerWaalsContact CE-OE1 3.25Å; K189-E311 WeakPolarHBondContact CE-OE1 3.28Å; D307-E311 WeakPolarHBondContact O-CB 3.38Å; D307-E311 PolarHBondContact O-N 3.01Å; R308-E311 IonicContact CZ-OE2 4Å; R308-E311 IonicContact NH1-OE2 3.35Å; R308-E311 PolarHBondContact NH1-OE2 3.14Å; R308-E311 PolarHBondContact O-N 2.85Å; E311-N313 VanDerWaalsContact C-N 3.33Å; E311-N313 PolarHBondContact O-N 2.85Å; E311-K314 PolarHBondContact O-N 2.9Å; E311-I315 HydrophobicContact CG-CD1 4.14Å; E311-I315 WeakPolarHBondContact O-CG1 3.49Å; E311-I315 PolarHBondContact O-N 2.74Å |
| 312 | W | 93.8 | Very high | 90.3 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.2 | -45 | 172 | -85.4 | 107.1 | 0 | 0 | 0 | 112.1 | K189 D191 L218 L220 F225 L290 R308 M309 K314 I315 L316 | K189-W312 HydrophobicContact CB-CE3 4.46Å; K189-W312 HydrophobicContact CB-CH2 3.92Å; K189-W312 HydrophobicContact CB-CZ2 4.41Å; K189-W312 HydrophobicContact CB-CZ3 3.95Å; K189-W312 HydrophobicContact CG-CD2 4.15Å; K189-W312 HydrophobicContact CG-CE3 4.17Å; K189-W312 HydrophobicContact CG-CH2 3.7Å; K189-W312 HydrophobicContact CG-CZ2 3.68Å; K189-W312 HydrophobicContact CG-CZ3 3.95Å; D191-W312 HydrophobicContact CB-CZ2 4.05Å; L218-W312 HydrophobicContact CB-CZ2 4.36Å; L218-W312 HydrophobicContact CD2-CH2 3.89Å; L218-W312 HydrophobicContact CD2-CZ2 3.81Å; L218-W312 HydrophobicContact CD2-CZ3 4.4Å; L218-W312 HydrophobicContact CG-CH2 4.05Å; L218-W312 HydrophobicContact CG-CZ2 4.15Å; L220-W312 HydrophobicContact CB-CH2 4.08Å; L220-W312 HydrophobicContact CB-CZ3 3.8Å; L220-W312 HydrophobicContact CD2-CZ3 4.28Å; F225-W312 HydrophobicContact CE1-CZ3 4.06Å; L290-W312 HydrophobicContact CD2-CB 4.02Å; L290-W312 HydrophobicContact CD2-CD2 4.12Å; L290-W312 HydrophobicContact CD2-CE3 4.3Å; L290-W312 HydrophobicContact CD2-CG 4.01Å; R308-W312 VanDerWaalsContact O-CD1 3.24Å; R308-W312 PolarHBondContact O-N 2.85Å; R308-W312 VanDerWaalsContact O-N 3.09Å; M309-W312 PolarHBondContact O-N 2.81Å; W312-K314 PolarHBondContact O-N 2.71Å; W312-I315 PolarHBondContact O-N 3.05Å; W312-L316 HydrophobicContact CE3-CD1 4.44Å; W312-L316 HydrophobicContact CE3-CG 4.47Å; W312-L316 WeakPolarHBondContact O-CB 3.07Å; W312-L316 VanDerWaalsContact O-CG 3.22Å; W312-L316 WeakPolarHBondContact O-CG 3.5Å; W312-L316 PolarHBondContact O-N 2.72Å |
| 313 | N | 93.5 | Very high | 89.8 | Confident | 51 Ų | 51 | 49.5 Ų | 49.5 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 178.2 | -169 | 60.7 | 0 | 0 | 0 | 112 | F277 T279 M309 N310 E311 S317 | F277-N313 WeakPolarHBondContact CE2-OD1 3.3Å; T279-N313 HydrophobicContact CG2-CB 3.92Å; M309-N313 WeakPolarHBondContact O-CB 3.36Å; M309-N313 PolarHBondContact O-N 2.96Å; N310-N313 WeakPolarHBondContact O-CB 3.21Å; N310-N313 PolarHBondContact O-N 3.35Å; E311-N313 VanDerWaalsContact C-N 3.33Å; E311-N313 PolarHBondContact O-N 2.85Å; N313-S317 VanDerWaalsContact O-CB 3.27Å; N313-S317 WeakPolarHBondContact O-CB 3.27Å; N313-S317 PolarHBondContact O-N 3.45Å; N313-S317 PolarHBondContact O-OG 3.43Å |
| 314 | K | 90.8 | Very high | 89.4 | Confident | 154 Ų | 154 | 50 Ų | 50 | 67% | 0.67 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.4 | -48.8 | -179.8 | -177.7 | 178.9 | 179.4 | 179.4 | 0 | 111.1 | N310 E311 W312 S317 S318 | N310-K314 WeakPolarHBondContact O-CB 3.3Å; N310-K314 PolarHBondContact O-N 2.98Å; E311-K314 PolarHBondContact O-N 2.9Å; W312-K314 PolarHBondContact O-N 2.71Å; K314-S317 PolarHBondContact O-N 3.13Å; K314-S318 PolarHBondContact O-N 3.24Å; K314-S318 PolarHBondContact O-OG 2.82Å |
| 315 | I | 91.2 | Very high | 89.5 | Confident | 43 Ų | 43 | 45.7 Ų | 45.7 | 22% | 0.221 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | -179.6 | -66.5 | 173.1 | 0 | 0 | 0 | 110.5 | K189 L220 E311 W312 S317 S318 H319 | K189-I315 HydrophobicContact CB-CD1 3.75Å; K189-I315 HydrophobicContact CB-CG2 4.27Å; K189-I315 HydrophobicContact CD-CD1 3.69Å; K189-I315 HydrophobicContact CG-CD1 3.87Å; L220-I315 HydrophobicContact CD2-CG2 3.88Å; E311-I315 HydrophobicContact CG-CD1 4.14Å; E311-I315 WeakPolarHBondContact O-CG1 3.49Å; E311-I315 PolarHBondContact O-N 2.74Å; W312-I315 PolarHBondContact O-N 3.05Å; I315-S317 PolarHBondContact O-N 2.81Å; I315-S318 PolarHBondContact O-N 2.79Å; I315-S318 PolarHBondContact O-OG 3.39Å; I315-S318 VanDerWaalsContact O-OG 3.09Å; I315-H319 WeakPolarHBondContact O-CB 3.44Å; I315-H319 PolarHBondContact O-N 2.88Å |
| 316 | L | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 178.3 | -69.1 | 172.8 | 0 | 0 | 0 | 112.4 | L220 F225 F277 L290 L292 W312 S318 H319 I320 | L220-L316 HydrophobicContact CD1-CD2 4.19Å; L220-L316 HydrophobicContact CD2-CD2 3.92Å; F225-L316 HydrophobicContact CE1-CD2 3.99Å; F225-L316 HydrophobicContact CZ-CD1 4.49Å; F225-L316 HydrophobicContact CZ-CD2 3.54Å; F277-L316 HydrophobicContact CB-CD1 4.44Å; F277-L316 HydrophobicContact CD1-CB 4.21Å; F277-L316 HydrophobicContact CD2-CB 4.13Å; F277-L316 HydrophobicContact CD2-CD1 3.93Å; F277-L316 HydrophobicContact CE1-CB 3.81Å; F277-L316 HydrophobicContact CE2-CB 3.74Å; F277-L316 HydrophobicContact CE2-CD1 4.34Å; F277-L316 HydrophobicContact CG-CB 4.36Å; F277-L316 HydrophobicContact CG-CD1 4.05Å; F277-L316 HydrophobicContact CZ-CB 3.57Å; L290-L316 HydrophobicContact CD1-CD1 4Å; L290-L316 HydrophobicContact CD2-CD1 4.26Å; L292-L316 HydrophobicContact CD2-CD1 4.07Å; W312-L316 HydrophobicContact CE3-CD1 4.44Å; W312-L316 HydrophobicContact CE3-CG 4.47Å; W312-L316 WeakPolarHBondContact O-CB 3.07Å; W312-L316 VanDerWaalsContact O-CG 3.22Å; W312-L316 WeakPolarHBondContact O-CG 3.5Å; W312-L316 PolarHBondContact O-N 2.72Å; L316-S318 VanDerWaalsContact C-N 3.28Å; L316-S318 PolarHBondContact O-N 3.44Å; L316-H319 PolarHBondContact O-N 3.3Å; L316-I320 WeakPolarHBondContact O-CG2 3.19Å; L316-I320 PolarHBondContact O-N 2.91Å; L316-I320 VanDerWaalsContact O-N 3.12Å |
| 317 | S | 91.3 | Very high | 89.6 | Confident | 48 Ų | 48 | 42.5 Ų | 42.5 | 34% | 0.336 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -64.5 | -31 | -179 | -58.5 | 0 | 0 | 0 | 0 | 113 | N313 K314 I315 Y321 | N313-S317 VanDerWaalsContact O-CB 3.27Å; N313-S317 WeakPolarHBondContact O-CB 3.27Å; N313-S317 PolarHBondContact O-N 3.45Å; N313-S317 PolarHBondContact O-OG 3.43Å; K314-S317 PolarHBondContact O-N 3.13Å; I315-S317 PolarHBondContact O-N 2.81Å; S317-Y321 WeakPolarHBondContact O-CD2 3.21Å; S317-Y321 VanDerWaalsContact O-CE2 3.31Å; S317-Y321 WeakPolarHBondContact O-CE2 3.18Å |
| 318 | S | 88.8 | Confident | 89.8 | Confident | 69 Ų | 69 | 39 Ų | 39 | 48% | 0.483 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -85.2 | -39.1 | 172.3 | 60.1 | 0 | 0 | 0 | 0 | 112.4 | K314 I315 L316 I320 Y321 | K314-S318 PolarHBondContact O-N 3.24Å; K314-S318 PolarHBondContact O-OG 2.82Å; I315-S318 PolarHBondContact O-N 2.79Å; I315-S318 PolarHBondContact O-OG 3.39Å; I315-S318 VanDerWaalsContact O-OG 3.09Å; L316-S318 VanDerWaalsContact C-N 3.28Å; L316-S318 PolarHBondContact O-N 3.44Å; S318-I320 PolarHBondContact O-N 3.2Å; S318-Y321 PolarHBondContact O-N 2.85Å |
| 319 | H | 89.5 | Confident | 89.9 | Confident | 3 Ų | 3 | 38.4 Ų | 38.4 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.9 | -35 | -173.3 | -169.4 | 61.9 | 0 | 0 | 0 | 113.5 | L188 D222 I315 L316 Y321 Q322 T325 | L188-H319 WeakPolarHBondContact CD1-CE1 3.4Å; L188-H319 WeakPolarHBondContact CD1-NE2 3.46Å; D222-H319 PolarHBondContact O-NE2 3.32Å; D222-H319 VanDerWaalsContact O-NE2 3.15Å; I315-H319 WeakPolarHBondContact O-CB 3.44Å; I315-H319 PolarHBondContact O-N 2.88Å; L316-H319 PolarHBondContact O-N 3.3Å; H319-Y321 PolarHBondContact O-N 2.81Å; H319-Q322 PolarHBondContact CE1-OE1 2.77Å; H319-Q322 PolarHBondContact ND1-OE1 3.11Å; H319-Q322 VanDerWaalsContact ND1-OE1 3.11Å; H319-Q322 WeakPolarHBondContact O-CB 3.25Å; H319-Q322 PolarHBondContact O-N 3.22Å; H319-T325 PolarHBondContact CD2-OG1 3.44Å; H319-T325 PolarHBondContact CE1-OG1 2.88Å; H319-T325 PolarHBondContact NE2-OG1 2.98Å |
| 320 | I | 89.8 | Confident | 89.6 | Confident | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -20.5 | 179.9 | 59.3 | 177.2 | 0 | 0 | 0 | 114.2 | F275 F277 L316 S318 I329 F778 F782 | F275-I320 HydrophobicContact CD1-CG2 4.47Å; F275-I320 HydrophobicContact CE1-CG2 3.99Å; F277-I320 HydrophobicContact CE1-CD1 4.23Å; F277-I320 HydrophobicContact CE1-CG2 4Å; L316-I320 WeakPolarHBondContact O-CG2 3.19Å; L316-I320 PolarHBondContact O-N 2.91Å; L316-I320 VanDerWaalsContact O-N 3.12Å; S318-I320 PolarHBondContact O-N 3.2Å; I320-I329 HydrophobicContact CB-CD1 4.36Å; I320-I329 HydrophobicContact CG2-CD1 4.12Å; I320-F778 HydrophobicContact CD1-CZ 4.07Å; I320-F782 HydrophobicContact CB-CE2 4.18Å; I320-F782 HydrophobicContact CD1-CD2 3.9Å; I320-F782 HydrophobicContact CD1-CE2 4.29Å; I320-F782 HydrophobicContact CG1-CD2 4.35Å; I320-F782 HydrophobicContact CG1-CE2 4.22Å |
| 321 | Y | 89.3 | Confident | 89.3 | Confident | 68 Ų | 68 | 39.5 Ų | 39.5 | 27% | 0.267 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -7 | 178.4 | -59.5 | -71.9 | 0 | 0 | 0 | 113.6 | S317 S318 H319 F782 N785 L786 | S317-Y321 WeakPolarHBondContact O-CD2 3.21Å; S317-Y321 VanDerWaalsContact O-CE2 3.31Å; S317-Y321 WeakPolarHBondContact O-CE2 3.18Å; S318-Y321 PolarHBondContact O-N 2.85Å; H319-Y321 PolarHBondContact O-N 2.81Å; Y321-F782 HydrophobicContact CD1-CD2 4.26Å; Y321-F782 AromaticContact CD1-CE2 3.8Å; Y321-F782 HydrophobicContact CD1-CE2 3.8Å; Y321-F782 AromaticContact CE1-CD2 3.64Å; Y321-F782 HydrophobicContact CE1-CD2 3.64Å; Y321-F782 AromaticContact CE1-CE2 3.67Å; Y321-F782 HydrophobicContact CE1-CE2 3.67Å; Y321-N785 HydrophobicContact CE1-CB 4.21Å; Y321-N785 WeakPolarHBondContact OH-CB 3.27Å; Y321-L786 HydrophobicContact CD1-CD2 4.44Å |
| 322 | Q | 87.8 | Confident | 89.4 | Confident | 79 Ų | 79 | 38.6 Ų | 38.6 | 37% | 0.369 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -71.2 | 148.4 | 177 | -66 | -172.3 | 5.3 | 0 | 0 | 111.5 | H319 T325 R326 | H319-Q322 PolarHBondContact CE1-OE1 2.77Å; H319-Q322 PolarHBondContact ND1-OE1 3.11Å; H319-Q322 VanDerWaalsContact ND1-OE1 3.11Å; H319-Q322 WeakPolarHBondContact O-CB 3.25Å; H319-Q322 PolarHBondContact O-N 3.22Å; Q322-T325 PolarHBondContact O-N 2.93Å; Q322-R326 WeakPolarHBondContact O-CB 3.36Å; Q322-R326 PolarHBondContact O-N 2.88Å |
| 323 | D | 82 | Confident | 89.2 | Confident | 112 Ų | 112 | 41.9 Ų | 41.9 | 60% | 0.599 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 143.5 | 174 | -59.7 | -34.5 | 0 | 0 | 0 | 110.1 | T325 R326 | D323-T325 VanDerWaalsContact C-N 3.28Å; D323-T325 PolarHBondContact O-N 2.85Å; D323-R326 IonicContact OD1-CZ 3.39Å; D323-R326 IonicContact OD1-NH1 3.38Å; D323-R326 PolarHBondContact OD1-NH1 3.33Å; D323-R326 IonicContact OD1-NH2 3.71Å; D323-R326 PolarHBondContact OD1-NH2 3.26Å |
| 324 | G | 83.1 | Confident | 89.1 | Confident | 16 Ų | 16 | 40.3 Ų | 40.3 | 17% | 0.165 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | -43.2 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | F328 | G324-F328 WeakPolarHBondContact O-CD2 3.39Å; G324-F328 WeakPolarHBondContact O-CE2 3.21Å |
| 325 | T | 89.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -52.3 | 169.9 | -50.6 | 0 | 0 | 0 | 0 | 111 | D222 M271 H319 Q322 D323 D327 F328 I329 | D222-T325 WeakPolarHBondContact O-CB 3.44Å; D222-T325 PolarHBondContact O-OG1 2.84Å; M271-T325 HydrophobicContact CE-CG2 4.49Å; M271-T325 HydrophobicContact SD-CG2 3.5Å; M271-T325 VanDerWaalsContact SD-CG2 3.5Å; H319-T325 PolarHBondContact CD2-OG1 3.44Å; H319-T325 PolarHBondContact CE1-OG1 2.88Å; H319-T325 PolarHBondContact NE2-OG1 2.98Å; Q322-T325 PolarHBondContact O-N 2.93Å; D323-T325 VanDerWaalsContact C-N 3.28Å; D323-T325 PolarHBondContact O-N 2.85Å; T325-D327 PolarHBondContact O-N 3.38Å; T325-F328 PolarHBondContact O-N 3.22Å; T325-I329 HydrophobicContact CG2-CD1 3.55Å; T325-I329 HydrophobicContact CG2-CG1 4.48Å; T325-I329 WeakPolarHBondContact O-CG1 3.2Å; T325-I329 PolarHBondContact O-N 3.48Å |
| 326 | R | 89.1 | Confident | 89.2 | Confident | 21 Ų | 21 | 31.6 Ų | 31.6 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.7 | -41.8 | -178.2 | -170.5 | -172.4 | 64.3 | -125.3 | -8.2 | 111.2 | Q322 D323 F328 I329 Q330 F782 L786 Y790 | Q322-R326 WeakPolarHBondContact O-CB 3.36Å; Q322-R326 PolarHBondContact O-N 2.88Å; D323-R326 IonicContact OD1-CZ 3.39Å; D323-R326 IonicContact OD1-NH1 3.38Å; D323-R326 PolarHBondContact OD1-NH1 3.33Å; D323-R326 IonicContact OD1-NH2 3.71Å; D323-R326 PolarHBondContact OD1-NH2 3.26Å; R326-F328 PolarHBondContact O-N 3.27Å; R326-I329 PolarHBondContact O-N 3.18Å; R326-Q330 HydrophobicContact CG-CB 4.3Å; R326-Q330 VanDerWaalsContact CG-OE1 3.28Å; R326-Q330 WeakPolarHBondContact O-CB 3.42Å; R326-Q330 VanDerWaalsContact O-CG 3.24Å; R326-Q330 WeakPolarHBondContact O-CG 3.47Å; R326-Q330 PolarHBondContact O-N 3.37Å; R326-F782 HydrophobicContact CG-CZ 4.17Å; R326-L786 HydrophobicContact CG-CD2 4.36Å; R326-Y790 VanDerWaalsContact CZ-CZ 3.44Å; R326-Y790 PolarHBondContact NH1-OH 3.1Å; R326-Y790 PolarHBondContact NH2-OH 2.76Å |
| 327 | D | 91.2 | Very high | 89.3 | Confident | 17 Ų | 17 | 32 Ų | 32 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -47.3 | -36.6 | -179.8 | -69.5 | 7 | 0 | 0 | 0 | 114.2 | T325 N332 P339 R341 | T325-D327 PolarHBondContact O-N 3.38Å; D327-N332 PolarHBondContact O-ND2 3.49Å; D327-N332 PolarHBondContact O-OD1 2.76Å; D327-P339 HydrophobicContact CB-CG 3.85Å; D327-R341 IonicContact OD2-CZ 3.42Å; D327-R341 IonicContact OD2-NH1 2.68Å; D327-R341 PolarHBondContact OD2-NH1 3.34Å; D327-R341 IonicContact OD2-NH2 3.34Å; D327-R341 PolarHBondContact OD2-NH2 3.14Å |
| 328 | F | 91.3 | Very high | 89.5 | Confident | 14 Ų | 14 | 29.7 Ų | 29.7 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -101.8 | -13.4 | -177.4 | -59.1 | -68.1 | 0 | 0 | 0 | 113.9 | D272 Q273 G324 T325 R326 D688 R691 | D272-F328 CarbonylContact C-O 3.27Å; D272-F328 WeakPolarHBondContact CA-O 3.42Å; Q273-F328 PolarHBondContact N-O 3.25Å; G324-F328 WeakPolarHBondContact O-CD2 3.39Å; G324-F328 WeakPolarHBondContact O-CE2 3.21Å; T325-F328 PolarHBondContact O-N 3.22Å; R326-F328 PolarHBondContact O-N 3.27Å; F328-D688 WeakPolarHBondContact CE1-OD1 3.35Å; F328-D688 VanDerWaalsContact CZ-OD1 3.27Å; F328-D688 WeakPolarHBondContact CZ-OD1 3.06Å; F328-R691 VanDerWaalsContact CZ-CD 3.44Å |
| 329 | I | 89.9 | Confident | 89.7 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -96.2 | -35.9 | -179.1 | -60.1 | 176.4 | 0 | 0 | 0 | 111.1 | M271 Q273 F275 I320 T325 R326 F782 | M271-I329 HydrophobicContact CB-CD1 4.39Å; M271-I329 HydrophobicContact CB-CG1 4.21Å; M271-I329 HydrophobicContact SD-CD1 4.23Å; Q273-I329 WeakPolarHBondContact CA-O 3.49Å; F275-I329 HydrophobicContact CB-CD1 4.24Å; F275-I329 HydrophobicContact CB-CG1 4Å; F275-I329 HydrophobicContact CB-CG2 4.5Å; F275-I329 HydrophobicContact CD1-CD1 3.56Å; F275-I329 HydrophobicContact CD1-CG1 4.27Å; F275-I329 HydrophobicContact CE1-CD1 4.24Å; F275-I329 HydrophobicContact CG-CD1 4.14Å; F275-I329 HydrophobicContact CG-CG1 4.42Å; I320-I329 HydrophobicContact CB-CD1 4.36Å; I320-I329 HydrophobicContact CG2-CD1 4.12Å; T325-I329 HydrophobicContact CG2-CD1 3.55Å; T325-I329 HydrophobicContact CG2-CG1 4.48Å; T325-I329 WeakPolarHBondContact O-CG1 3.2Å; T325-I329 PolarHBondContact O-N 3.48Å; R326-I329 PolarHBondContact O-N 3.18Å; I329-F782 HydrophobicContact CB-CZ 4.34Å; I329-F782 HydrophobicContact CG2-CD1 4.26Å; I329-F782 HydrophobicContact CG2-CE1 3.94Å; I329-F782 HydrophobicContact CG2-CE2 4.36Å; I329-F782 HydrophobicContact CG2-CZ 3.98Å |
| 330 | Q | 86.5 | Confident | 90 | Very high | 25 Ų | 25 | 29.2 Ų | 29.2 | 12% | 0.117 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -70.1 | 159.2 | -179.5 | 76.4 | -174.9 | 11.8 | 0 | 0 | 111.9 | Q273 R326 N332 F782 | Q273-Q330 WeakPolarHBondContact CG-O 3.16Å; Q273-Q330 PolarHBondContact NE2-O 3.44Å; Q273-Q330 VanDerWaalsContact NE2-O 3.07Å; R326-Q330 HydrophobicContact CG-CB 4.3Å; R326-Q330 VanDerWaalsContact CG-OE1 3.28Å; R326-Q330 WeakPolarHBondContact O-CB 3.42Å; R326-Q330 VanDerWaalsContact O-CG 3.24Å; R326-Q330 WeakPolarHBondContact O-CG 3.47Å; R326-Q330 PolarHBondContact O-N 3.37Å; Q330-N332 WeakPolarHBondContact CG-OD1 3.24Å; Q330-N332 PolarHBondContact NE2-OD1 3.05Å; Q330-N332 PolarHBondContact O-N 3.41Å; Q330-F782 HydrophobicContact CB-CE1 4.12Å |
| 331 | Y | 85.3 | Confident | 90.4 | Very high | 74 Ų | 74 | 30.7 Ų | 30.7 | 29% | 0.29 | 15% | 0.151 | S | C | . | . | P | Polyproline II helix | trans | -65.7 | 122.1 | 163.8 | -176 | -91.3 | 0 | 0 | 0 | 109.6 | G335 H783 I794 | Y331-G335 PolarHBondContact OH-N 2.77Å; Y331-H783 PolarHBondContact N-CE1 3.13Å; Y331-I794 HydrophobicContact CD1-CD1 3.35Å; Y331-I794 HydrophobicContact CD1-CG1 3.87Å; Y331-I794 HydrophobicContact CE1-CD1 4.14Å; Y331-I794 HydrophobicContact CE1-CG1 4.15Å; Y331-I794 HydrophobicContact CG-CD1 3.6Å; Y331-I794 HydrophobicContact CG-CG1 4.38Å |
| 332 | N | 91 | Very high | 90.6 | Very high | 5 Ų | 5 | 30.4 Ų | 30.4 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -103.4 | 159.4 | 172.6 | -56 | -59.3 | 0 | 0 | 0 | 110.1 | D327 Q330 F334 G335 S336 A338 | D327-N332 PolarHBondContact O-ND2 3.49Å; D327-N332 PolarHBondContact O-OD1 2.76Å; Q330-N332 WeakPolarHBondContact CG-OD1 3.24Å; Q330-N332 PolarHBondContact NE2-OD1 3.05Å; Q330-N332 PolarHBondContact O-N 3.41Å; N332-F334 PolarHBondContact O-N 2.94Å; N332-G335 WeakPolarHBondContact O-CA 3.34Å; N332-G335 PolarHBondContact O-N 2.94Å; N332-S336 WeakPolarHBondContact CB-O 3.4Å; N332-S336 PolarHBondContact ND2-O 3.12Å; N332-A338 WeakPolarHBondContact CB-O 3.43Å |
| 333 | R | 90 | Very high | 91 | Very high | 69 Ų | 69 | 32.1 Ų | 32.1 | 26% | 0.26 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -45.8 | 137 | 177.9 | -171.7 | -179.5 | 62.5 | 178.4 | -5.2 | 110.8 | G335 S336 S340 Q754 E1016 | R333-G335 PolarHBondContact O-N 3.03Å; R333-S336 WeakPolarHBondContact O-CB 3.39Å; R333-S336 PolarHBondContact O-N 2.8Å; R333-S340 PolarHBondContact NH2-OG 3.06Å; R333-Q754 PolarHBondContact O-NE2 3.12Å; R333-E1016 IonicContact CZ-OE1 3.18Å; R333-E1016 IonicContact CZ-OE2 2.71Å; R333-E1016 IonicContact NH1-OE1 3.5Å; R333-E1016 PolarHBondContact NH1-OE1 3.1Å; R333-E1016 IonicContact NH1-OE2 3.75Å; R333-E1016 PolarHBondContact NH1-OE2 3.34Å; R333-E1016 IonicContact NH2-OE1 3.73Å; R333-E1016 PolarHBondContact NH2-OE1 3.02Å; R333-E1016 IonicContact NH2-OE2 3.18Å |
| 334 | F | 92.3 | Very high | 91.6 | Very high | 19 Ų | 19 | 26.8 Ų | 26.8 | 8% | 0.083 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | 66.3 | 7 | -176 | -43.2 | -53.9 | 0 | 0 | 0 | 116.3 | N332 S336 L756 S808 N811 A812 D815 I1014 | N332-F334 PolarHBondContact O-N 2.94Å; F334-S336 VanDerWaalsContact C-N 3.26Å; F334-L756 HydrophobicContact CD2-CD2 3.89Å; F334-S808 WeakPolarHBondContact O-CA 3.28Å; F334-N811 HydrophobicContact CB-CB 3.91Å; F334-N811 PolarHBondContact O-ND2 2.8Å; F334-A812 HydrophobicContact CD1-CB 4.19Å; F334-A812 HydrophobicContact CD2-CB 3.73Å; F334-A812 HydrophobicContact CE1-CB 4.32Å; F334-A812 HydrophobicContact CE2-CB 3.82Å; F334-A812 HydrophobicContact CG-CB 3.89Å; F334-A812 HydrophobicContact CZ-CB 4.13Å; F334-D815 HydrophobicContact CD1-CB 4.26Å; F334-D815 HydrophobicContact CE1-CB 3.65Å; F334-D815 WeakPolarHBondContact CE1-OD2 3.22Å; F334-I1014 HydrophobicContact CE2-CD1 3.97Å; F334-I1014 HydrophobicContact CE2-CG2 4.27Å; F334-I1014 HydrophobicContact CZ-CD1 4.12Å |
| 335 | G | 89.2 | Confident | 92.3 | Very high | 13 Ų | 13 | 27.6 Ų | 27.6 | 13% | 0.134 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | 72.4 | 22.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y331 N332 R333 E806 | Y331-G335 PolarHBondContact OH-N 2.77Å; N332-G335 WeakPolarHBondContact O-CA 3.34Å; N332-G335 PolarHBondContact O-N 2.94Å; R333-G335 PolarHBondContact O-N 3.03Å; G335-E806 WeakPolarHBondContact O-CG 3.42Å |
| 336 | S | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | trans | -67.1 | 144.3 | 177 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | Q273 N332 R333 F334 A338 A755 E806 | Q273-S336 PolarHBondContact NE2-O 2.95Å; N332-S336 WeakPolarHBondContact CB-O 3.4Å; N332-S336 PolarHBondContact ND2-O 3.12Å; R333-S336 WeakPolarHBondContact O-CB 3.39Å; R333-S336 PolarHBondContact O-N 2.8Å; F334-S336 VanDerWaalsContact C-N 3.26Å; S336-A338 WeakPolarHBondContact CB-O 3.25Å; S336-A338 PolarHBondContact O-N 3.47Å; S336-A338 PolarHBondContact OG-N 3.05Å; S336-A338 VanDerWaalsContact OG-N 3.09Å; S336-A338 PolarHBondContact OG-O 3.4Å; S336-A755 PolarHBondContact OG-O 3.37Å; S336-E806 WeakPolarHBondContact CA-OE1 3.41Å | ||
| 337 | Y | 94 | Very high | 93.1 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 4% | 0.035 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -62.7 | -16.9 | 169.1 | 78.5 | -74.8 | 0 | 0 | 0 | 114.3 | D688 H692 A755 R757 E806 | Y337-D688 VanDerWaalsContact OH-C 3.26Å; Y337-D688 PolarHBondContact OH-O 3.4Å; Y337-H692 HydrophobicContact CE2-CB 4.21Å; Y337-A755 HydrophobicContact CE1-CB 4.19Å; Y337-R757 HydrophobicContact CD1-CG 3.84Å; Y337-R757 VanDerWaalsContact CD1-NE 3.31Å; Y337-R757 HydrophobicContact CE1-CG 4.04Å; Y337-E806 PolarHBondContact N-OE1 3.07Å; Y337-E806 VanDerWaalsContact N-OE1 3.09Å |
| 338 | A | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -121.9 | 144.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N332 S336 D688 Q754 A755 | N332-A338 WeakPolarHBondContact CB-O 3.43Å; S336-A338 WeakPolarHBondContact CB-O 3.25Å; S336-A338 PolarHBondContact O-N 3.47Å; S336-A338 PolarHBondContact OG-N 3.05Å; S336-A338 VanDerWaalsContact OG-N 3.09Å; S336-A338 PolarHBondContact OG-O 3.4Å; A338-D688 HydrophobicContact CB-CB 3.87Å; A338-Q754 PolarHBondContact O-NE2 3.45Å; A338-A755 HydrophobicContact CB-CB 4.02Å |
| 339 | P | 94.9 | Very high | 93.6 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 7% | 0.071 | 14% | 0.136 | C | C | . | . | trans | -75.9 | 168.4 | 173.9 | 36 | -37.7 | 0 | 0 | 0 | 111.1 | D327 | D327-P339 HydrophobicContact CB-CG 3.85Š| ||
| 340 | S | 95.8 | Very high | 93.8 | Very high | 50 Ų | 50 | 27.7 Ų | 27.7 | 35% | 0.35 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 138.9 | 165.6 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | R333 Q754 | R333-S340 PolarHBondContact NH2-OG 3.06Å; S340-Q754 PolarHBondContact OG-OE1 2.81Å |
| 341 | R | 96.3 | Very high | 94.2 | Very high | 37 Ų | 37 | 26.7 Ų | 26.7 | 14% | 0.14 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 110.9 | 179.4 | -57.4 | -61.5 | -167.2 | -178.7 | -3.5 | 109.4 | D327 T344 T684 A685 D688 T752 V753 | D327-R341 IonicContact OD2-CZ 3.42Å; D327-R341 IonicContact OD2-NH1 2.68Å; D327-R341 PolarHBondContact OD2-NH1 3.34Å; D327-R341 IonicContact OD2-NH2 3.34Å; D327-R341 PolarHBondContact OD2-NH2 3.14Å; R341-T344 PolarHBondContact O-OG1 2.8Å; R341-T684 WeakPolarHBondContact CD-OG1 3.3Å; R341-A685 HydrophobicContact CB-CB 4.04Å; R341-A685 HydrophobicContact CG-CB 4.04Å; R341-D688 WeakPolarHBondContact CG-OD2 3.38Å; R341-D688 IonicContact CZ-OD1 2.72Å; R341-D688 IonicContact CZ-OD2 3.91Å; R341-D688 IonicContact NE-OD1 2.74Å; R341-D688 IonicContact NE-OD2 2.9Å; R341-D688 PolarHBondContact NE-OD2 3.48Å; R341-D688 IonicContact NH2-OD1 3.13Å; R341-D688 PolarHBondContact NH2-OD1 3.48Å; R341-D688 IonicContact NH2-OD2 3.85Å; R341-T752 CarbonylContact O-C 3.57Å; R341-T752 WeakPolarHBondContact O-CA 3.42Å; R341-V753 WeakPolarHBondContact CB-O 3.26Å; R341-V753 PolarHBondContact N-O 3.1Å; R341-V753 PolarHBondContact O-N 3.23Å |
| 342 | S | 95 | Very high | 94.7 | Very high | 62 Ų | 62 | 23.1 Ų | 23.1 | 43% | 0.434 | 13% | 0.125 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 169 | 170.9 | 64.9 | 0 | 0 | 0 | 0 | 111.1 | T344 N1018 | S342-T344 PolarHBondContact O-N 3.46Å; S342-T344 VanDerWaalsContact O-N 3.08Å; S342-N1018 VanDerWaalsContact CA-OD1 3.25Å; S342-N1018 WeakPolarHBondContact CA-OD1 3.33Å; S342-N1018 WeakPolarHBondContact CB-OD1 3.43Å |
| 343 | D | 94.8 | Very high | 94.9 | Very high | 115 Ų | 115 | 23.5 Ų | 23.5 | 62% | 0.615 | 13% | 0.128 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 59.3 | 25.2 | 169.9 | -51 | -64.5 | 0 | 0 | 0 | 114.5 | V750 C751 N1018 | D343-V750 HydrophobicContact CB-CG1 4.33Å; D343-C751 PolarHBondContact N-O 3.09Å; D343-N1018 PolarHBondContact N-OD1 2.95Å |
| 344 | T | 96.5 | Very high | 95 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 121.6 | 177.4 | -64.3 | 0 | 0 | 0 | 0 | 109.2 | R341 S342 F681 A685 V750 C751 V753 | R341-T344 PolarHBondContact O-OG1 2.8Å; S342-T344 PolarHBondContact O-N 3.46Å; S342-T344 VanDerWaalsContact O-N 3.08Å; T344-F681 HydrophobicContact CG2-CB 3.89Å; T344-F681 HydrophobicContact CG2-CD2 4.16Å; T344-F681 HydrophobicContact CG2-CG 4.4Å; T344-A685 HydrophobicContact CG2-CB 4.05Å; T344-V750 WeakPolarHBondContact O-CA 3.44Å; T344-C751 PolarHBondContact N-O 3.38Å; T344-C751 PolarHBondContact O-N 3.37Å; T344-V753 HydrophobicContact CG2-CB 3.99Å; T344-V753 HydrophobicContact CG2-CG2 3.68Å |
| 345 | Q | 96.8 | Very high | 95.2 | Very high | 33 Ų | 33 | 22.3 Ų | 22.3 | 15% | 0.154 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 125.1 | 173.6 | -166.5 | 179.9 | 18.3 | 0 | 0 | 109.8 | F681 V682 L738 S748 A749 V750 | Q345-F681 WeakPolarHBondContact O-CA 3.42Å; Q345-F681 WeakPolarHBondContact O-CB 3.32Å; Q345-V682 HydrophobicContact CB-CG1 3.9Å; Q345-V682 PolarHBondContact N-O 3.03Å; Q345-V682 PolarHBondContact O-N 2.93Å; Q345-L738 HydrophobicContact CG-CD1 4Å; Q345-L738 HydrophobicContact CG-CG 4.33Å; Q345-S748 PolarHBondContact NE2-OG 3.16Å; Q345-A749 CarbonylContact C-O 3.54Å; Q345-A749 VanDerWaalsContact CA-O 3.28Å; Q345-A749 WeakPolarHBondContact CA-O 3.36Å; Q345-V750 HydrophobicContact CB-CG2 4.45Å; Q345-V750 HydrophobicContact CG-CG2 4.42Å |
| 346 | I | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 149.8 | -173 | -174.6 | 157 | 0 | 0 | 0 | 111.5 | C679 V680 F681 S748 A749 C751 V753 I1013 I1015 F1038 | I346-C679 HydrophobicContact CD1-CB 4.33Å; I346-C679 HydrophobicContact CG1-CB 4.44Å; I346-V680 CarbonylContact C-O 3.54Å; I346-V680 WeakPolarHBondContact CA-O 3.39Å; I346-F681 HydrophobicContact CB-CB 3.9Å; I346-F681 HydrophobicContact CD1-CB 4.12Å; I346-F681 HydrophobicContact CD1-CD1 4.14Å; I346-F681 HydrophobicContact CD1-CG 4.41Å; I346-F681 HydrophobicContact CG1-CB 3.94Å; I346-S748 CarbonylContact O-C 3.28Å; I346-S748 WeakPolarHBondContact O-CA 3.47Å; I346-S748 WeakPolarHBondContact O-CB 3.49Å; I346-A749 PolarHBondContact N-O 3.35Å; I346-A749 PolarHBondContact O-N 3.3Å; I346-C751 HydrophobicContact CG2-CB 4.16Å; I346-V753 HydrophobicContact CD1-CG2 4.18Å; I346-I1013 HydrophobicContact CD1-CD1 3.66Å; I346-I1015 HydrophobicContact CD1-CD1 3.47Å; I346-I1015 VanDerWaalsContact CD1-CD1 3.47Å; I346-I1015 HydrophobicContact CD1-CG1 3.84Å; I346-F1038 HydrophobicContact CG2-CE1 3.86Å; I346-F1038 HydrophobicContact CG2-CZ 4.07Å |
| 347 | C | 96.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 140.1 | 170.2 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | C679 V680 L738 L742 | C347-C679 CarbonylContact O-C 3.53Å; C347-C679 VanDerWaalsContact O-CA 3.23Å; C347-C679 WeakPolarHBondContact O-CA 3.48Å; C347-C679 WeakPolarHBondContact O-CB 3.43Å; C347-V680 HydrophobicContact CB-CG1 3.99Å; C347-V680 PolarHBondContact N-O 3.47Å; C347-V680 PolarHBondContact O-N 3.18Å; C347-L738 HydrophobicContact CB-CD1 4.15Å; C347-L742 HydrophobicContact CB-CD1 3.77Å; C347-L742 HydrophobicContact CB-CD2 3.94Å |
| 348 | M | 96.8 | Very high | 95.8 | Very high | 17 Ų | 17 | 23.4 Ų | 23.4 | 8% | 0.084 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 145 | 174.9 | -63.6 | -53.3 | -66 | 0 | 0 | 110.6 | V677 C679 M991 L993 I1015 F1038 F1042 | M348-V677 HydrophobicContact CE-CG1 3.79Å; M348-C679 HydrophobicContact CE-CB 4.23Å; M348-C679 HydrophobicContact SD-CB 3.59Å; M348-C679 VanDerWaalsContact SD-CB 3.59Å; M348-M991 HydrophobicContact CE-CE 3.74Å; M348-M991 HydrophobicContact CE-SD 4.23Å; M348-M991 HydrophobicContact CG-CE 3.7Å; M348-M991 HydrophobicContact SD-CE 3.48Å; M348-M991 WeakPolarHBondContact SD-CE 3.36Å; M348-L993 HydrophobicContact CE-CD1 3.79Å; M348-L993 HydrophobicContact CE-CD2 3.59Å; M348-L993 HydrophobicContact CE-CG 4.23Å; M348-L993 HydrophobicContact SD-CD2 3.94Å; M348-I1015 HydrophobicContact SD-CD1 3.98Å; M348-F1038 HydrophobicContact CB-CZ 4.39Å; M348-F1038 HydrophobicContact CG-CE1 4.02Å; M348-F1038 HydrophobicContact CG-CE2 4.44Å; M348-F1038 HydrophobicContact CG-CZ 3.61Å; M348-F1042 HydrophobicContact CB-CD2 3.45Å; M348-F1042 VanDerWaalsContact CB-CD2 3.45Å; M348-F1042 HydrophobicContact CB-CE2 3.53Å; M348-F1042 HydrophobicContact CB-CG 4.25Å; M348-F1042 HydrophobicContact CB-CZ 4.4Å; M348-F1042 HydrophobicContact CE-CE1 4.2Å; M348-F1042 HydrophobicContact CE-CE2 4.07Å; M348-F1042 HydrophobicContact CE-CZ 3.83Å; M348-F1042 HydrophobicContact CG-CD2 3.84Å; M348-F1042 HydrophobicContact CG-CE2 4.07Å; M348-F1042 HydrophobicContact CG-CG 4.15Å |
| 349 | F | 96 | Very high | 96 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131 | 171.9 | -57.2 | -73 | 0 | 0 | 0 | 109.3 | C354 Y355 A358 F465 V677 G678 V680 L742 | F349-C354 HydrophobicContact CD1-CB 3.67Å; F349-C354 HydrophobicContact CE1-CB 4.25Å; F349-Y355 AromaticContact CD2-CD2 3.69Å; F349-Y355 HydrophobicContact CD2-CD2 3.69Å; F349-Y355 HydrophobicContact CD2-CG 4.34Å; F349-Y355 HydrophobicContact CE2-CD2 4.24Å; F349-Y355 HydrophobicContact CG-CD2 4.4Å; F349-A358 HydrophobicContact CE1-CB 4.08Å; F349-A358 HydrophobicContact CE2-CB 4.32Å; F349-A358 HydrophobicContact CZ-CB 3.55Å; F349-F465 HydrophobicContact CE2-CD1 4.45Å; F349-F465 HydrophobicContact CE2-CE1 4.42Å; F349-V677 WeakPolarHBondContact O-CA 3.44Å; F349-G678 PolarHBondContact N-O 2.74Å; F349-G678 PolarHBondContact O-N 3.25Å; F349-G678 VanDerWaalsContact O-N 3.14Å; F349-V680 HydrophobicContact CE2-CB 3.81Å; F349-V680 HydrophobicContact CE2-CG1 3.5Å; F349-V680 HydrophobicContact CZ-CB 4.33Å; F349-V680 HydrophobicContact CZ-CG1 3.61Å; F349-L742 HydrophobicContact CE1-CD2 3.94Å; F349-L742 HydrophobicContact CZ-CD2 3.69Å |
| 350 | I | 94.7 | Very high | 96.1 | Very high | 34 Ų | 34 | 22.9 Ų | 22.9 | 17% | 0.174 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128.1 | 165.8 | -51.5 | 170.6 | 0 | 0 | 0 | 106.2 | H675 F1042 L1046 E1049 | I350-H675 VanDerWaalsContact CG2-CE1 3.45Å; I350-H675 WeakPolarHBondContact CG2-CE1 3.23Å; I350-F1042 HydrophobicContact CD1-CD2 4.18Å; I350-F1042 HydrophobicContact CD1-CE2 3.94Å; I350-F1042 HydrophobicContact CG1-CD2 4.15Å; I350-F1042 HydrophobicContact CG1-CE2 3.49Å; I350-F1042 VanDerWaalsContact CG1-CE2 3.49Å; I350-F1042 HydrophobicContact CG1-CZ 4.28Å; I350-L1046 HydrophobicContact CB-CD2 4.47Å; I350-L1046 HydrophobicContact CD1-CD2 3.72Å; I350-L1046 HydrophobicContact CD1-CG 3.96Å; I350-L1046 HydrophobicContact CG1-CD2 3.82Å; I350-L1046 HydrophobicContact CG1-CG 4.46Å; I350-L1046 HydrophobicContact CG2-CD2 3.78Å; I350-E1049 WeakPolarHBondContact CG2-OE2 3.35Å |
| 351 | D | 94.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.016 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 64.9 | 163.9 | -170.3 | -46.9 | -49 | 0 | 0 | 0 | 115.8 | A353 D477 T478 N479 H481 H675 D676 | D351-A353 PolarHBondContact O-N 3.46Å; D351-D477 HydrophobicContact CB-CB 4.49Å; D351-D477 WeakPolarHBondContact CB-O 3.34Å; D351-T478 VanDerWaalsContact OD2-C 3.28Å; D351-N479 WeakPolarHBondContact OD2-CA 3.35Å; D351-N479 PolarHBondContact OD2-N 3.42Å; D351-H481 IonicContact OD1-CE1 3.18Å; D351-H481 PolarHBondContact OD1-CE1 2.75Å; D351-H481 IonicContact OD1-NE2 3.62Å; D351-H481 IonicContact OD2-CE1 3.43Å; D351-H481 IonicContact OD2-NE2 3.1Å; D351-H675 IonicContact OD1-CG 2.88Å; D351-H675 IonicContact OD1-ND1 3.77Å; D351-H675 PolarHBondContact OD1-ND1 3.05Å; D351-D676 VanDerWaalsContact CA-O 3.22Å; D351-D676 WeakPolarHBondContact CA-O 3.43Å; D351-D676 PolarHBondContact N-O 3.25Å |
| 352 | G | 95.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -71.9 | -27.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y355 M356 D477 | G352-Y355 PolarHBondContact O-N 3.49Å; G352-M356 WeakPolarHBondContact O-CB 3.46Å; G352-M356 VanDerWaalsContact O-CG 3.27Å; G352-M356 WeakPolarHBondContact O-CG 3.22Å; G352-M356 PolarHBondContact O-N 2.61Å; G352-D477 PolarHBondContact N-O 3.46Å |
| 353 | A | 95.2 | Very high | 96.4 | Very high | 12 Ų | 12 | 17.5 Ų | 17.5 | 10% | 0.099 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.8 | -51.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D351 M356 E357 W476 D477 T478 | D351-A353 PolarHBondContact O-N 3.46Å; A353-M356 PolarHBondContact O-N 3.34Å; A353-E357 PolarHBondContact O-N 3.47Å; A353-W476 HydrophobicContact CB-CD2 3.92Å; A353-W476 VanDerWaalsContact CB-CE2 3.47Å; A353-W476 HydrophobicContact CB-CE3 4.27Å; A353-W476 HydrophobicContact CB-CH2 3.95Å; A353-W476 HydrophobicContact CB-CZ2 3.49Å; A353-W476 VanDerWaalsContact CB-CZ2 3.49Å; A353-W476 HydrophobicContact CB-CZ3 4.32Å; A353-D477 WeakPolarHBondContact CB-O 3.21Å; A353-D477 PolarHBondContact N-O 3.22Å; A353-T478 HydrophobicContact CB-CG2 3.85Å |
| 354 | C | 93.3 | Very high | 96.5 | Very high | 62 Ų | 62 | 14 Ų | 14 | 42% | 0.419 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -67.3 | -38 | 179.8 | -69.1 | 0 | 0 | 0 | 0 | 111.6 | F349 A358 | F349-C354 HydrophobicContact CD1-CB 3.67Å; F349-C354 HydrophobicContact CE1-CB 4.25Å; C354-A358 WeakPolarHBondContact O-CB 3.38Å; C354-A358 PolarHBondContact O-N 3.13Å |
| 355 | Y | 96.4 | Very high | 96.5 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.2 | -52.3 | 174.6 | 178.1 | -88.4 | 0 | 0 | 0 | 111.2 | F349 G352 E357 A358 V359 F465 I469 L471 | F349-Y355 AromaticContact CD2-CD2 3.69Å; F349-Y355 HydrophobicContact CD2-CD2 3.69Å; F349-Y355 HydrophobicContact CD2-CG 4.34Å; F349-Y355 HydrophobicContact CE2-CD2 4.24Å; F349-Y355 HydrophobicContact CG-CD2 4.4Å; G352-Y355 PolarHBondContact O-N 3.49Å; Y355-E357 VanDerWaalsContact C-N 3.34Å; Y355-E357 PolarHBondContact O-N 3.03Å; Y355-A358 PolarHBondContact O-N 3.28Å; Y355-V359 HydrophobicContact CD1-CG2 4.01Å; Y355-V359 HydrophobicContact CE1-CG2 3.64Å; Y355-V359 WeakPolarHBondContact O-CG2 3.38Å; Y355-V359 PolarHBondContact O-N 3.43Å; Y355-F465 HydrophobicContact CD2-CD1 4.4Å; Y355-F465 HydrophobicContact CE2-CB 3.85Å; Y355-F465 HydrophobicContact CE2-CD1 4.07Å; Y355-F465 HydrophobicContact CE2-CG 4.46Å; Y355-F465 WeakPolarHBondContact OH-CB 3.42Å; Y355-I469 HydrophobicContact CD1-CB 4.23Å; Y355-I469 HydrophobicContact CD1-CD1 4.09Å; Y355-I469 HydrophobicContact CD1-CG2 4.08Å; Y355-I469 HydrophobicContact CD2-CD1 4.09Å; Y355-I469 HydrophobicContact CE1-CB 4.08Å; Y355-I469 HydrophobicContact CE1-CG2 4.22Å; Y355-I469 HydrophobicContact CG-CD1 3.79Å; Y355-L471 HydrophobicContact CE1-CD2 4.4Å |
| 356 | M | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.5 | -37.6 | -178.7 | -70.1 | -168.2 | -170 | 0 | 0 | 112.1 | G352 A353 V359 A360 L383 I469 R475 W476 | G352-M356 WeakPolarHBondContact O-CB 3.46Å; G352-M356 VanDerWaalsContact O-CG 3.27Å; G352-M356 WeakPolarHBondContact O-CG 3.22Å; G352-M356 PolarHBondContact O-N 2.61Å; A353-M356 PolarHBondContact O-N 3.34Å; M356-V359 PolarHBondContact O-N 3.41Å; M356-A360 WeakPolarHBondContact O-CB 3.22Å; M356-A360 PolarHBondContact O-N 2.72Å; M356-L383 CarbonylContact C-O 3.51Å; M356-L383 HydrophobicContact CB-CB 4.24Å; M356-L383 HydrophobicContact CB-CD2 4.27Å; M356-L383 VanDerWaalsContact CB-O 3.27Å; M356-L383 WeakPolarHBondContact CB-O 3.49Å; M356-L383 HydrophobicContact CG-CD2 4.28Å; M356-L383 HydrophobicContact SD-CD2 4.21Å; M356-I469 HydrophobicContact CE-CG2 4.45Å; M356-R475 HydrophobicContact CE-CB 3.73Å; M356-W476 HydrophobicContact CE-CB 4.13Å; M356-W476 HydrophobicContact SD-CB 3.75Å; M356-W476 VanDerWaalsContact SD-CD1 3.56Å; M356-W476 HydrophobicContact SD-CG 4.07Å |
| 357 | E | 96 | Very high | 96.1 | Very high | 43 Ų | 43 | 19.3 Ų | 19.3 | 20% | 0.201 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 173.9 | 175.3 | 163.8 | -170.2 | 0 | 0 | 112 | A353 Y355 A360 K361 L383 R384 | A353-E357 PolarHBondContact O-N 3.47Å; Y355-E357 VanDerWaalsContact C-N 3.34Å; Y355-E357 PolarHBondContact O-N 3.03Å; E357-A360 WeakPolarHBondContact O-CB 3.35Å; E357-A360 PolarHBondContact O-N 3.07Å; E357-K361 HydrophobicContact CG-CD 4.24Å; E357-K361 WeakPolarHBondContact O-CG 3.43Å; E357-K361 PolarHBondContact O-N 3.21Å; E357-K361 WeakPolarHBondContact OE1-CE 3.3Å; E357-K361 IonicContact OE1-NZ 3.34Å; E357-K361 PolarHBondContact OE1-NZ 2.5Å; E357-L383 PolarHBondContact N-O 3.28Å; E357-R384 HydrophobicContact CB-CG 4.23Å; E357-R384 HydrophobicContact CG-CG 4.14Å; E357-R384 IonicContact OE1-CZ 2.99Å; E357-R384 IonicContact OE1-NE 3.44Å; E357-R384 PolarHBondContact OE1-NE 2.79Å; E357-R384 IonicContact OE1-NH2 3.92Å; E357-R384 PolarHBondContact OE1-NH2 2.92Å; E357-R384 VanDerWaalsContact OE1-NH2 3.08Å |
| 358 | A | 96.7 | Very high | 95.7 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 2% | 0.017 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.2 | -40.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F349 C354 Y355 A360 K361 A362 F465 I741 | F349-A358 HydrophobicContact CE1-CB 4.08Å; F349-A358 HydrophobicContact CE2-CB 4.32Å; F349-A358 HydrophobicContact CZ-CB 3.55Å; C354-A358 WeakPolarHBondContact O-CB 3.38Å; C354-A358 PolarHBondContact O-N 3.13Å; Y355-A358 PolarHBondContact O-N 3.28Å; A358-A360 VanDerWaalsContact C-N 3.33Å; A358-A360 PolarHBondContact O-N 2.74Å; A358-K361 PolarHBondContact O-N 2.67Å; A358-A362 WeakPolarHBondContact O-CB 3.47Å; A358-A362 PolarHBondContact O-N 3.43Å; A358-F465 VanDerWaalsContact C-CZ 3.47Å; A358-F465 HydrophobicContact CB-CE1 3.63Å; A358-F465 HydrophobicContact CB-CZ 4.19Å; A358-F465 WeakPolarHBondContact O-CZ 3.35Å; A358-I741 HydrophobicContact CB-CD1 4.41Å |
| 359 | V | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 171.8 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | Y355 M356 K361 A362 I363 L383 V457 F465 | Y355-V359 HydrophobicContact CD1-CG2 4.01Å; Y355-V359 HydrophobicContact CE1-CG2 3.64Å; Y355-V359 WeakPolarHBondContact O-CG2 3.38Å; Y355-V359 PolarHBondContact O-N 3.43Å; M356-V359 PolarHBondContact O-N 3.41Å; V359-K361 PolarHBondContact O-N 2.93Å; V359-A362 PolarHBondContact O-N 3.41Å; V359-I363 HydrophobicContact CG1-CD1 3.75Å; V359-I363 HydrophobicContact CG1-CG1 4.39Å; V359-I363 WeakPolarHBondContact O-CG1 3.18Å; V359-I363 PolarHBondContact O-N 2.78Å; V359-L383 HydrophobicContact CG1-CD1 4.22Å; V359-V457 HydrophobicContact CG1-CG1 4.4Å; V359-V457 HydrophobicContact CG1-CG2 4.18Å; V359-F465 HydrophobicContact CB-CE1 4.49Å; V359-F465 HydrophobicContact CG2-CB 4.14Å; V359-F465 HydrophobicContact CG2-CD1 3.46Å; V359-F465 VanDerWaalsContact CG2-CD1 3.46Å; V359-F465 HydrophobicContact CG2-CD2 4.09Å; V359-F465 HydrophobicContact CG2-CE1 3.81Å; V359-F465 HydrophobicContact CG2-CE2 4.41Å; V359-F465 HydrophobicContact CG2-CG 3.62Å; V359-F465 HydrophobicContact CG2-CZ 4.27Å |
| 360 | A | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M356 E357 A358 A362 S364 L383 R384 W392 L397 | M356-A360 WeakPolarHBondContact O-CB 3.22Å; M356-A360 PolarHBondContact O-N 2.72Å; E357-A360 WeakPolarHBondContact O-CB 3.35Å; E357-A360 PolarHBondContact O-N 3.07Å; A358-A360 VanDerWaalsContact C-N 3.33Å; A358-A360 PolarHBondContact O-N 2.74Å; A360-A362 VanDerWaalsContact C-N 3.33Å; A360-A362 PolarHBondContact O-N 3.42Å; A360-S364 WeakPolarHBondContact O-CB 3.49Å; A360-S364 PolarHBondContact O-N 2.85Å; A360-L383 HydrophobicContact CB-CB 3.76Å; A360-L383 HydrophobicContact CB-CD1 3.95Å; A360-R384 HydrophobicContact CB-CG 3.89Å; A360-W392 HydrophobicContact CB-CE3 3.74Å; A360-W392 HydrophobicContact CB-CZ3 4Å; A360-L397 HydrophobicContact CB-CD2 4.27Å |
| 361 | K | 97.2 | Very high | 95.8 | Very high | 36 Ų | 36 | 19.3 Ų | 19.3 | 16% | 0.157 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.7 | -72.6 | 172.9 | -177 | 166.1 | 0 | 111.3 | E357 A358 V359 S364 Q365 I741 | E357-K361 HydrophobicContact CG-CD 4.24Å; E357-K361 WeakPolarHBondContact O-CG 3.43Å; E357-K361 PolarHBondContact O-N 3.21Å; E357-K361 WeakPolarHBondContact OE1-CE 3.3Å; E357-K361 IonicContact OE1-NZ 3.34Å; E357-K361 PolarHBondContact OE1-NZ 2.5Å; A358-K361 PolarHBondContact O-N 2.67Å; V359-K361 PolarHBondContact O-N 2.93Å; K361-S364 PolarHBondContact O-N 3.03Å; K361-S364 PolarHBondContact O-OG 2.95Å; K361-Q365 WeakPolarHBondContact O-CG 3.17Å; K361-Q365 PolarHBondContact O-N 2.86Å; K361-Q365 PolarHBondContact O-NE2 3.07Å; K361-I741 HydrophobicContact CB-CB 4.12Å; K361-I741 HydrophobicContact CB-CG2 3.96Å; K361-I741 VanDerWaalsContact CD-O 3.27Å; K361-I741 WeakPolarHBondContact CD-O 3.38Å |
| 362 | A | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.1 | -47.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A358 V359 A360 S364 Q365 A366 V459 F465 W733 I741 | A358-A362 WeakPolarHBondContact O-CB 3.47Å; A358-A362 PolarHBondContact O-N 3.43Å; V359-A362 PolarHBondContact O-N 3.41Å; A360-A362 VanDerWaalsContact C-N 3.33Å; A360-A362 PolarHBondContact O-N 3.42Å; A362-S364 VanDerWaalsContact C-N 3.27Å; A362-S364 PolarHBondContact O-N 3.49Å; A362-Q365 PolarHBondContact O-N 2.83Å; A362-Q365 VanDerWaalsContact O-N 3.09Å; A362-A366 PolarHBondContact O-N 3Å; A362-A366 VanDerWaalsContact O-N 3.14Å; A362-V459 HydrophobicContact CB-CG2 4.15Å; A362-F465 HydrophobicContact CB-CE2 3.39Å; A362-F465 HydrophobicContact CB-CZ 3.57Å; A362-W733 HydrophobicContact CB-CH2 4Å; A362-W733 HydrophobicContact CB-CZ3 4.46Å; A362-I741 HydrophobicContact CB-CG2 4.15Å |
| 363 | I | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.7 | -40.2 | 175.7 | -66.2 | 171.9 | 0 | 0 | 0 | 110.3 | V359 Q365 A366 V370 L397 L398 K401 V457 V459 | V359-I363 HydrophobicContact CG1-CD1 3.75Å; V359-I363 HydrophobicContact CG1-CG1 4.39Å; V359-I363 WeakPolarHBondContact O-CG1 3.18Å; V359-I363 PolarHBondContact O-N 2.78Å; I363-Q365 PolarHBondContact O-N 2.99Å; I363-A366 WeakPolarHBondContact O-CB 3.26Å; I363-A366 PolarHBondContact O-N 3.29Å; I363-V370 HydrophobicContact CG1-CG1 4.2Å; I363-V370 HydrophobicContact CG2-CG2 4.46Å; I363-L397 HydrophobicContact CB-CD2 3.89Å; I363-L397 HydrophobicContact CB-CG 4.22Å; I363-L397 HydrophobicContact CD1-CD2 4.38Å; I363-L397 HydrophobicContact CG2-CD1 4.25Å; I363-L397 HydrophobicContact CG2-CD2 3.86Å; I363-L397 HydrophobicContact CG2-CG 3.65Å; I363-L398 HydrophobicContact CD1-CD2 4.27Å; I363-L398 HydrophobicContact CG2-CD2 4.13Å; I363-K401 HydrophobicContact CG2-CG 4.03Å; I363-K401 WeakPolarHBondContact O-CD 3.32Å; I363-K401 WeakPolarHBondContact O-CE 3.42Å; I363-K401 WeakPolarHBondContact O-CG 3.43Å; I363-V457 HydrophobicContact CD1-CG1 4.33Å; I363-V457 HydrophobicContact CG1-CG1 4.34Å; I363-V459 HydrophobicContact CG1-CG2 4.3Å |
| 364 | S | 97 | Very high | 96.1 | Very high | 42 Ų | 42 | 18.8 Ų | 18.8 | 29% | 0.294 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -58.6 | -32.8 | 177.6 | 79.8 | 0 | 0 | 0 | 0 | 112.8 | A360 K361 A362 K401 | A360-S364 WeakPolarHBondContact O-CB 3.49Å; A360-S364 PolarHBondContact O-N 2.85Å; K361-S364 PolarHBondContact O-N 3.03Å; K361-S364 PolarHBondContact O-OG 2.95Å; A362-S364 VanDerWaalsContact C-N 3.27Å; A362-S364 PolarHBondContact O-N 3.49Å; S364-K401 WeakPolarHBondContact O-CD 3.21Å; S364-K401 WeakPolarHBondContact O-CE 3.17Å; S364-K401 PolarHBondContact O-NZ 2.79Å |
| 365 | Q | 95.9 | Very high | 96 | Very high | 45 Ų | 45 | 18.7 Ų | 18.7 | 21% | 0.21 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -88.4 | -7 | 179.1 | -69.6 | 175 | 58.1 | 0 | 0 | 113.9 | K361 A362 I363 Q367 W733 T740 | K361-Q365 WeakPolarHBondContact O-CG 3.17Å; K361-Q365 PolarHBondContact O-N 2.86Å; K361-Q365 PolarHBondContact O-NE2 3.07Å; A362-Q365 PolarHBondContact O-N 2.83Å; A362-Q365 VanDerWaalsContact O-N 3.09Å; I363-Q365 PolarHBondContact O-N 2.99Å; Q365-Q367 PolarHBondContact O-N 3.42Å; Q365-Q367 PolarHBondContact O-NE2 3.38Å; Q365-W733 HydrophobicContact CB-CH2 3.79Å; Q365-W733 HydrophobicContact CB-CZ2 4.02Å; Q365-T740 PolarHBondContact NE2-O 2.8Å; Q365-T740 PolarHBondContact NE2-OG1 2.87Å; Q365-T740 PolarHBondContact OE1-OG1 3.43Å |
| 366 | A | 95.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | trans | -54.7 | 133.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A362 I363 V370 K401 V406 V459 | A362-A366 PolarHBondContact O-N 3Å; A362-A366 VanDerWaalsContact O-N 3.14Å; I363-A366 WeakPolarHBondContact O-CB 3.26Å; I363-A366 PolarHBondContact O-N 3.29Å; A366-V370 HydrophobicContact CB-CG2 3.75Å; A366-K401 WeakPolarHBondContact O-CE 3.49Å; A366-K401 PolarHBondContact O-NZ 3.04Å; A366-V406 HydrophobicContact CB-CG1 3.95Å; A366-V406 HydrophobicContact CB-CG2 4.42Å; A366-V406 WeakPolarHBondContact O-CG2 3.36Å; A366-V459 HydrophobicContact CB-CG1 3.39Å | ||
| 367 | Q | 90.8 | Very high | 95.5 | Very high | 100 Ų | 100 | 19 Ų | 19 | 47% | 0.467 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -105 | -27.1 | -178.7 | -63 | -56.8 | -46.5 | 0 | 0 | 112.8 | Y18 Q365 D460 | Y18-Q367 PolarHBondContact OH-O 2.81Å; Q365-Q367 PolarHBondContact O-N 3.42Å; Q365-Q367 PolarHBondContact O-NE2 3.38Å; Q367-D460 PolarHBondContact N-OD1 3.23Å; Q367-D460 PolarHBondContact N-OD2 3.12Å |
| 368 | H | 87.7 | Confident | 95.3 | Very high | 54 Ų | 54 | 17.5 Ų | 17.5 | 25% | 0.25 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -132.7 | -53.3 | -166.9 | -58.2 | -53.7 | 0 | 0 | 0 | 114.5 | Y18 R22 K407 D460 | Y18-H368 WeakPolarHBondContact OH-CA 3.44Å; R22-H368 VanDerWaalsContact CZ-CG 3.48Å; R22-H368 VanDerWaalsContact NE-CG 3.27Å; R22-H368 VanDerWaalsContact NH1-CB 3.29Å; H368-K407 PolarHBondContact O-N 2.94Å; H368-D460 WeakPolarHBondContact CA-OD1 3.34Å; H368-D460 WeakPolarHBondContact CB-OD1 3.43Å; H368-D460 PolarHBondContact N-OD1 3.13Å |
| 369 | E | 93.6 | Very high | 95 | Very high | 4 Ų | 4 | 17.9 Ų | 17.9 | 2% | 0.019 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 155.4 | -178 | 66.5 | -159.9 | 152.7 | 0 | 0 | 113.8 | R22 F371 K407 Y409 D460 Q461 | R22-E369 IonicContact CZ-OE1 3.68Å; R22-E369 IonicContact NH1-OE1 3.83Å; R22-E369 PolarHBondContact NH1-OE1 3.32Å; R22-E369 IonicContact NH1-OE2 2.8Å; R22-E369 IonicContact NH2-OE1 3.82Å; E369-F371 HydrophobicContact CB-CE1 4.12Å; E369-F371 VanDerWaalsContact CD-CZ 3.46Å; E369-F371 HydrophobicContact CG-CD1 4.4Å; E369-F371 HydrophobicContact CG-CE1 3.69Å; E369-F371 HydrophobicContact CG-CZ 3.98Å; E369-F371 WeakPolarHBondContact OE2-CE1 3.46Å; E369-K407 CarbonylContact C-O 3.54Å; E369-K407 WeakPolarHBondContact CA-O 3.47Å; E369-K407 HydrophobicContact CB-CB 4.41Å; E369-K407 VanDerWaalsContact CB-O 3.29Å; E369-K407 WeakPolarHBondContact CB-O 3.49Å; E369-Y409 HydrophobicContact CB-CD2 4.32Å; E369-Y409 HydrophobicContact CB-CE2 4.01Å; E369-D460 PolarHBondContact N-OD1 2.88Å; E369-D460 PolarHBondContact O-N 3.46Å; E369-Q461 WeakPolarHBondContact OE1-CG 3.46Å; E369-Q461 PolarHBondContact OE1-NE2 2.87Å |
| 370 | V | 98 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 126.2 | 172.9 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | I363 A366 I372 V406 K407 I408 Y409 V457 A458 V459 | I363-V370 HydrophobicContact CG1-CG1 4.2Å; I363-V370 HydrophobicContact CG2-CG2 4.46Å; A366-V370 HydrophobicContact CB-CG2 3.75Å; V370-I372 HydrophobicContact CG1-CD1 4.24Å; V370-I372 HydrophobicContact CG1-CG1 3.97Å; V370-V406 HydrophobicContact CG2-CG1 4.04Å; V370-K407 PolarHBondContact N-O 2.97Å; V370-I408 HydrophobicContact CB-CD1 3.69Å; V370-I408 HydrophobicContact CG2-CD1 3.68Å; V370-Y409 PolarHBondContact O-N 3.08Å; V370-V457 HydrophobicContact CG1-CG1 4.04Å; V370-A458 CarbonylContact C-O 3.36Å; V370-A458 WeakPolarHBondContact CA-O 3.35Å; V370-V459 HydrophobicContact CG1-CG2 4.44Å; V370-V459 HydrophobicContact CG2-CG2 4.37Å |
| 371 | F | 98.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 0% | 0.004 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 133.2 | 171.9 | -55.5 | -20.1 | 0 | 0 | 0 | 109.2 | E369 Y409 V457 A458 Q461 F693 I694 L724 | E369-F371 HydrophobicContact CB-CE1 4.12Å; E369-F371 VanDerWaalsContact CD-CZ 3.46Å; E369-F371 HydrophobicContact CG-CD1 4.4Å; E369-F371 HydrophobicContact CG-CE1 3.69Å; E369-F371 HydrophobicContact CG-CZ 3.98Å; E369-F371 WeakPolarHBondContact OE2-CE1 3.46Å; F371-Y409 CarbonylContact C-O 3.52Å; F371-Y409 WeakPolarHBondContact CA-O 3.44Å; F371-Y409 AromaticContact CD1-CD2 3.61Å; F371-Y409 HydrophobicContact CD1-CD2 3.61Å; F371-Y409 HydrophobicContact CD1-CG 4.17Å; F371-Y409 AromaticContact CE1-CD2 3.44Å; F371-Y409 HydrophobicContact CE1-CD2 3.44Å; F371-Y409 VanDerWaalsContact CE1-CD2 3.44Å; F371-Y409 AromaticContact CE1-CE2 3.92Å; F371-Y409 HydrophobicContact CE1-CE2 3.92Å; F371-Y409 HydrophobicContact CE1-CG 4.22Å; F371-V457 CarbonylContact O-C 3.47Å; F371-V457 VanDerWaalsContact O-CA 3.29Å; F371-V457 WeakPolarHBondContact O-CA 3.42Å; F371-A458 HydrophobicContact CB-CB 4.04Å; F371-A458 HydrophobicContact CD2-CB 4.21Å; F371-A458 HydrophobicContact CG-CB 4.47Å; F371-A458 PolarHBondContact N-O 3.49Å; F371-A458 PolarHBondContact O-N 2.93Å; F371-Q461 HydrophobicContact CE2-CG 3.64Å; F371-Q461 HydrophobicContact CZ-CG 3.95Å; F371-F693 HydrophobicContact CB-CD1 3.76Å; F371-F693 HydrophobicContact CB-CD2 3.94Å; F371-F693 HydrophobicContact CB-CE1 3.77Å; F371-F693 HydrophobicContact CB-CE2 3.94Å; F371-F693 HydrophobicContact CB-CG 3.85Å; F371-F693 HydrophobicContact CB-CZ 3.86Å; F371-F693 AromaticContact CD1-CD1 3.92Å; F371-F693 HydrophobicContact CD1-CD1 3.92Å; F371-F693 AromaticContact CD1-CE1 3.68Å; F371-F693 HydrophobicContact CD1-CE1 3.68Å; F371-F693 HydrophobicContact CD1-CZ 4.39Å; F371-F693 HydrophobicContact CD2-CB 4.04Å; F371-F693 AromaticContact CD2-CD1 3.46Å; F371-F693 HydrophobicContact CD2-CD1 3.46Å; F371-F693 VanDerWaalsContact CD2-CD1 3.46Å; F371-F693 HydrophobicContact CD2-CE1 4.09Å; F371-F693 AromaticContact CD2-CG 3.85Å; F371-F693 HydrophobicContact CD2-CG 3.85Å; F371-F693 HydrophobicContact CE1-CD1 4.4Å; F371-F693 HydrophobicContact CE1-CE1 4.29Å; F371-F693 AromaticContact CE2-CD1 3.97Å; F371-F693 HydrophobicContact CE2-CD1 3.97Å; F371-F693 AromaticContact CG-CD1 3.44Å; F371-F693 HydrophobicContact CG-CD1 3.44Å; F371-F693 VanDerWaalsContact CG-CD1 3.44Å; F371-F693 AromaticContact CG-CE1 3.58Å; F371-F693 HydrophobicContact CG-CE1 3.58Å; F371-F693 AromaticContact CG-CG 3.95Å; F371-F693 HydrophobicContact CG-CG 3.95Å; F371-F693 HydrophobicContact CG-CZ 4.19Å; F371-F693 HydrophobicContact CZ-CD1 4.42Å; F371-I694 HydrophobicContact CE2-CD1 4.12Å; F371-I694 HydrophobicContact CE2-CG1 3.9Å; F371-I694 HydrophobicContact CZ-CD1 4.49Å; F371-I694 HydrophobicContact CZ-CG1 4.25Å; F371-L724 HydrophobicContact CE1-CD1 3.91Å; F371-L724 HydrophobicContact CE1-CD2 4.4Å; F371-L724 HydrophobicContact CZ-CD1 3.94Å |
| 372 | I | 98.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 127.1 | 175.9 | -56.2 | 178.9 | 0 | 0 | 0 | 108.4 | V370 M377 L398 Y409 I410 M411 M456 V457 L471 | V370-I372 HydrophobicContact CG1-CD1 4.24Å; V370-I372 HydrophobicContact CG1-CG1 3.97Å; I372-M377 HydrophobicContact CD1-CE 4.24Å; I372-L398 HydrophobicContact CD1-CD1 4.31Å; I372-L398 HydrophobicContact CD1-CD2 4.21Å; I372-Y409 PolarHBondContact N-O 2.78Å; I372-I410 HydrophobicContact CB-CB 4.47Å; I372-I410 HydrophobicContact CB-CG1 4.18Å; I372-I410 HydrophobicContact CB-CG2 4.13Å; I372-I410 HydrophobicContact CD1-CD1 4.37Å; I372-I410 HydrophobicContact CD1-CG1 4.39Å; I372-I410 HydrophobicContact CG2-CG2 4.27Å; I372-I410 CarbonylContact O-C 3.57Å; I372-I410 VanDerWaalsContact O-CA 3.31Å; I372-I410 WeakPolarHBondContact O-CA 3.32Å; I372-M411 PolarHBondContact O-N 3.49Å; I372-M456 WeakPolarHBondContact CA-O 3.45Å; I372-V457 HydrophobicContact CG1-CG1 4.31Å; I372-V457 HydrophobicContact CG1-CG2 4.31Å; I372-L471 HydrophobicContact CG2-CD1 4.35Å |
| 373 | T | 97.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 17.1 Ų | 17.1 | 1% | 0.012 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 138.6 | 160.3 | 71.1 | 0 | 0 | 0 | 0 | 108.4 | M411 E454 K455 M456 F693 | T373-M411 WeakPolarHBondContact CA-O 3.36Å; T373-M411 HydrophobicContact CG2-CB 4.31Å; T373-E454 CarbonylContact C-O 3.53Å; T373-E454 VanDerWaalsContact C-O 3.31Å; T373-E454 VanDerWaalsContact OG1-C 3.22Å; T373-E454 WeakPolarHBondContact OG1-CB 3.47Å; T373-E454 PolarHBondContact OG1-O 3.47Å; T373-K455 WeakPolarHBondContact O-CA 3.49Å; T373-M456 HydrophobicContact CG2-CE 4.27Å; T373-M456 HydrophobicContact CG2-CG 3.83Å; T373-M456 HydrophobicContact CG2-SD 4.34Å; T373-M456 PolarHBondContact N-O 2.48Å; T373-M456 PolarHBondContact O-N 2.93Å; T373-M456 WeakPolarHBondContact OG1-CG 3.24Å; T373-M456 PolarHBondContact OG1-N 2.84Å; T373-F693 HydrophobicContact CG2-CD2 3.5Å; T373-F693 VanDerWaalsContact CG2-CD2 3.5Å; T373-F693 HydrophobicContact CG2-CE2 3.71Å |
| 374 | D | 95.2 | Very high | 93.9 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.011 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 146 | 177.3 | -140.7 | -27.6 | 0 | 0 | 0 | 111.8 | C376 M377 M411 L412 Y413 H452 E454 D470 L471 | D374-C376 VanDerWaalsContact CG-O 3.28Å; D374-M377 HydrophobicContact CB-CB 4.14Å; D374-M411 PolarHBondContact N-O 3.38Å; D374-M411 VanDerWaalsContact N-O 3.1Å; D374-L412 HydrophobicContact CB-CD2 4.01Å; D374-Y413 PolarHBondContact O-N 3.39Å; D374-H452 PolarHBondContact O-CD2 3.34Å; D374-E454 WeakPolarHBondContact CA-O 3.43Å; D374-E454 PolarHBondContact N-O 3.25Å; D374-D470 WeakPolarHBondContact OD1-CA 3.5Å; D374-L471 WeakPolarHBondContact OD2-CB 2.95Å; D374-L471 PolarHBondContact OD2-N 3.13Å |
| 375 | W | 92.3 | Very high | 93.6 | Very high | 59 Ų | 59 | 20 Ų | 20 | 22% | 0.223 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -80.6 | -44 | 171.3 | 175.5 | 80.4 | 0 | 0 | 0 | 109.9 | Y413 V420 F422 H452 H453 D470 | W375-Y413 AromaticContact CD1-CD1 3.75Å; W375-Y413 AromaticContact NE1-CD1 3.68Å; W375-Y413 AromaticContact NE1-CE1 3.99Å; W375-V420 HydrophobicContact CZ2-CG1 4.33Å; W375-F422 AromaticContact CD2-CE2 3.96Å; W375-F422 HydrophobicContact CD2-CE2 3.96Å; W375-F422 AromaticContact CE2-CE2 3.68Å; W375-F422 AromaticContact CE3-CE2 3.92Å; W375-F422 HydrophobicContact CE3-CE2 3.92Å; W375-F422 HydrophobicContact CE3-CZ 4.07Å; W375-F422 HydrophobicContact CH2-CE1 4.38Å; W375-F422 AromaticContact CH2-CE2 3.48Å; W375-F422 HydrophobicContact CH2-CE2 3.48Å; W375-F422 VanDerWaalsContact CH2-CE2 3.48Å; W375-F422 AromaticContact CH2-CZ 3.18Å; W375-F422 HydrophobicContact CH2-CZ 3.18Å; W375-F422 AromaticContact CZ2-CE2 3.45Å; W375-F422 HydrophobicContact CZ2-CE2 3.45Å; W375-F422 VanDerWaalsContact CZ2-CE2 3.45Å; W375-F422 AromaticContact CZ2-CZ 3.65Å; W375-F422 HydrophobicContact CZ2-CZ 3.65Å; W375-F422 HydrophobicContact CZ3-CE1 4.36Å; W375-F422 AromaticContact CZ3-CE2 3.68Å; W375-F422 HydrophobicContact CZ3-CE2 3.68Å; W375-F422 AromaticContact CZ3-CZ 3.39Å; W375-F422 HydrophobicContact CZ3-CZ 3.39Å; W375-H452 VanDerWaalsContact CD1-O 3.32Å; W375-H453 AromaticContact CD1-CD2 3.64Å; W375-H453 AromaticContact CG-CD2 3.83Å; W375-H453 AromaticContact NE1-CD2 3.96Å; W375-D470 WeakPolarHBondContact CB-OD1 3.47Å |
| 376 | C | 91.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.014 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -134.5 | 127.9 | 174.2 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | D374 F422 D470 C472 | D374-C376 VanDerWaalsContact CG-O 3.28Å; C376-F422 HydrophobicContact CB-CD1 4.25Å; C376-F422 HydrophobicContact CB-CD2 4.11Å; C376-F422 HydrophobicContact CB-CE1 4.3Å; C376-F422 HydrophobicContact CB-CE2 4.14Å; C376-F422 HydrophobicContact CB-CG 4.2Å; C376-F422 HydrophobicContact CB-CZ 4.26Å; C376-F422 WeakPolarHBondContact SG-CD1 3.39Å; C376-D470 PolarHBondContact N-OD1 2.74Å; C376-D470 WeakPolarHBondContact O-CB 3.18Å; C376-C472 HydrophobicContact CB-CB 4.49Å; C376-C472 WeakPolarHBondContact O-CB 3.28Å |
| 377 | M | 92.2 | Very high | 92.9 | Very high | 8 Ų | 8 | 22.5 Ų | 22.5 | 4% | 0.039 | 11% | 0.109 | C | C | . | . | trans | -133.4 | 130.5 | -178 | -172 | -168 | -174.5 | 0 | 0 | 110.6 | I372 D374 L394 L398 I410 L412 V427 L431 L471 | I372-M377 HydrophobicContact CD1-CE 4.24Å; D374-M377 HydrophobicContact CB-CB 4.14Å; M377-L394 HydrophobicContact CE-CD1 4.22Å; M377-L394 HydrophobicContact CE-CD2 3.35Å; M377-L394 HydrophobicContact CE-CG 3.84Å; M377-L394 HydrophobicContact CG-CD2 4.24Å; M377-L398 HydrophobicContact CE-CD1 4.14Å; M377-I410 HydrophobicContact CE-CD1 4.08Å; M377-I410 HydrophobicContact SD-CD1 4.32Å; M377-I410 HydrophobicContact SD-CG2 4.08Å; M377-L412 HydrophobicContact CB-CD2 3.75Å; M377-L412 HydrophobicContact CG-CD2 4.49Å; M377-L412 HydrophobicContact SD-CD2 3.96Å; M377-V427 WeakPolarHBondContact O-CG2 3Å; M377-L431 HydrophobicContact CE-CD1 4.08Å; M377-L431 HydrophobicContact SD-CD1 4.12Å; M377-L471 HydrophobicContact CG-CB 4.4Å | ||
| 378 | H | 92 | Very high | 92.6 | Very high | 10 Ų | 10 | 27.2 Ų | 27.2 | 5% | 0.046 | 12% | 0.122 | C | C | . | . | trans | -111.9 | 106.6 | 174.5 | -69.9 | 96.2 | 0 | 0 | 0 | 110 | T380 V381 L471 C472 F473 | H378-T380 PolarHBondContact O-N 3.36Å; H378-V381 VanDerWaalsContact O-CG1 3.23Å; H378-V381 WeakPolarHBondContact O-CG1 3.28Å; H378-V381 PolarHBondContact O-N 2.81Å; H378-V381 VanDerWaalsContact O-N 3.13Å; H378-L471 PolarHBondContact N-O 2.89Å; H378-C472 VanDerWaalsContact ND1-CB 3.3Å; H378-C472 WeakPolarHBondContact ND1-CB 3.13Å; H378-F473 HydrophobicContact CB-CD1 4.31Å; H378-F473 HydrophobicContact CB-CD2 3.83Å; H378-F473 HydrophobicContact CB-CE1 4.33Å; H378-F473 HydrophobicContact CB-CE2 3.86Å; H378-F473 HydrophobicContact CB-CG 4.07Å; H378-F473 HydrophobicContact CB-CZ 4.13Å; H378-F473 AromaticContact CD2-CD2 3.43Å; H378-F473 VanDerWaalsContact CD2-CD2 3.43Å; H378-F473 WeakPolarHBondContact CD2-CD2 3.36Å; H378-F473 AromaticContact CD2-CE2 3.63Å; H378-F473 AromaticContact CG-CD2 3.46Å; H378-F473 VanDerWaalsContact CG-CD2 3.46Å; H378-F473 AromaticContact CG-CE2 3.83Å; H378-F473 AromaticContact CG-CG 3.93Å; H378-F473 AromaticContact ND1-CD2 3.95Å; H378-F473 PolarHBondContact ND1-N 3.03Å; H378-F473 AromaticContact NE2-CD2 3.93Å | ||
| 379 | P | 89.9 | Confident | 92.5 | Very high | 11 Ų | 11 | 27.6 Ų | 27.6 | 7% | 0.071 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -27.9 | -175.3 | -31.3 | 38.3 | 0 | 0 | 0 | 115.5 | L394 D395 V427 L431 | P379-L394 WeakPolarHBondContact O-CB 3.24Å; P379-D395 HydrophobicContact CB-CB 3.94Å; P379-D395 VanDerWaalsContact O-CB 3.27Å; P379-D395 WeakPolarHBondContact O-CB 3.22Å; P379-D395 VanDerWaalsContact O-CG 3.27Å; P379-D395 PolarHBondContact O-N 3.35Å; P379-V427 HydrophobicContact CG-CB 4.32Å; P379-V427 HydrophobicContact CG-CG1 3.68Å; P379-V427 HydrophobicContact CG-CG2 4.28Å; P379-L431 HydrophobicContact CB-CD2 3.94Å; P379-L431 HydrophobicContact CB-CG 4.21Å; P379-L431 HydrophobicContact CG-CD1 4.16Å; P379-L431 HydrophobicContact CG-CD2 4.28Å; P379-L431 HydrophobicContact CG-CG 3.99Å |
| 380 | T | 89.3 | Confident | 92.2 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 10% | 0.098 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 9.7 | -174.2 | 47.4 | 0 | 0 | 0 | 0 | 113.5 | H378 R393 W430 F473 L628 P659 | H378-T380 PolarHBondContact O-N 3.36Å; T380-R393 WeakPolarHBondContact O-CG 3.42Å; T380-W430 HydrophobicContact CG2-CZ2 4.43Å; T380-F473 WeakPolarHBondContact OG1-CZ 3.33Å; T380-L628 HydrophobicContact CG2-CD1 4.22Å; T380-P659 HydrophobicContact CG2-CG 4.23Å; T380-P659 WeakPolarHBondContact OG1-CB 3.45Å |
| 381 | V | 92.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -66.6 | 138.6 | 172.6 | 72.5 | 0 | 0 | 0 | 0 | 110.9 | H378 L383 R393 L394 F473 | H378-V381 VanDerWaalsContact O-CG1 3.23Å; H378-V381 WeakPolarHBondContact O-CG1 3.28Å; H378-V381 PolarHBondContact O-N 2.81Å; H378-V381 VanDerWaalsContact O-N 3.13Å; V381-L383 HydrophobicContact CG1-CD2 4.08Å; V381-R393 WeakPolarHBondContact O-CA 3.39Å; V381-L394 HydrophobicContact CG1-CB 3.96Å; V381-L394 HydrophobicContact CG1-CD2 3.88Å; V381-L394 PolarHBondContact O-N 3.12Å; V381-F473 HydrophobicContact CB-CD1 4.11Å; V381-F473 HydrophobicContact CB-CE1 4.08Å; V381-F473 HydrophobicContact CG2-CD1 4.12Å; V381-F473 HydrophobicContact CG2-CE1 4.47Å | ||
| 382 | F | 93.8 | Very high | 91.6 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.018 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -90.1 | 119.2 | 172.8 | -72.8 | -91.3 | 0 | 0 | 0 | 109.8 | V387 D389 N390 R393 L631 I641 | F382-V387 HydrophobicContact CB-CG2 3.8Å; F382-V387 HydrophobicContact CD1-CB 4.39Å; F382-V387 HydrophobicContact CD1-CG1 3.7Å; F382-V387 HydrophobicContact CD1-CG2 3.82Å; F382-V387 HydrophobicContact CD2-CG2 4.2Å; F382-V387 HydrophobicContact CE1-CG1 3.47Å; F382-V387 VanDerWaalsContact CE1-CG1 3.47Å; F382-V387 HydrophobicContact CE1-CG2 4.43Å; F382-V387 HydrophobicContact CE2-CG1 4.36Å; F382-V387 HydrophobicContact CG-CG1 4.23Å; F382-V387 HydrophobicContact CG-CG2 3.68Å; F382-V387 HydrophobicContact CZ-CG1 3.84Å; F382-D389 WeakPolarHBondContact CE1-O 3.19Å; F382-N390 WeakPolarHBondContact CZ-OD1 3.47Å; F382-R393 HydrophobicContact CD1-CB 4.09Å; F382-R393 HydrophobicContact CD1-CG 4.4Å; F382-R393 HydrophobicContact CD2-CG 4.46Å; F382-R393 HydrophobicContact CE1-CB 3.93Å; F382-R393 HydrophobicContact CE1-CG 4.25Å; F382-R393 HydrophobicContact CE2-CG 4.3Å; F382-R393 HydrophobicContact CZ-CB 4.33Å; F382-R393 HydrophobicContact CZ-CG 4.2Å; F382-L631 HydrophobicContact CE2-CB 4.01Å; F382-L631 HydrophobicContact CE2-CD1 4.15Å; F382-L631 HydrophobicContact CZ-CB 4Å; F382-I641 HydrophobicContact CD2-CD1 3.97Å; F382-I641 HydrophobicContact CE2-CD1 3.83Å; F382-I641 HydrophobicContact CZ-CD1 4.49Å |
| 383 | L | 96.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -80.5 | -20.9 | -177.5 | -59.3 | -179.5 | 0 | 0 | 0 | 113.1 | M356 E357 V359 A360 V381 W392 L394 L397 L471 | M356-L383 CarbonylContact C-O 3.51Å; M356-L383 HydrophobicContact CB-CB 4.24Å; M356-L383 HydrophobicContact CB-CD2 4.27Å; M356-L383 VanDerWaalsContact CB-O 3.27Å; M356-L383 WeakPolarHBondContact CB-O 3.49Å; M356-L383 HydrophobicContact CG-CD2 4.28Å; M356-L383 HydrophobicContact SD-CD2 4.21Å; E357-L383 PolarHBondContact N-O 3.28Å; V359-L383 HydrophobicContact CG1-CD1 4.22Å; A360-L383 HydrophobicContact CB-CB 3.76Å; A360-L383 HydrophobicContact CB-CD1 3.95Å; V381-L383 HydrophobicContact CG1-CD2 4.08Å; L383-W392 PolarHBondContact N-O 2.76Å; L383-L394 HydrophobicContact CD1-CD1 4.09Å; L383-L394 HydrophobicContact CG-CB 4.43Å; L383-L397 HydrophobicContact CD1-CD2 4.09Å; L383-L471 HydrophobicContact CD2-CD2 4.21Å |
| 384 | R | 93.8 | Very high | 91.2 | Very high | 73 Ų | 73 | 34.7 Ų | 34.7 | 28% | 0.275 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -123.7 | 144.5 | 177.2 | -66.4 | -174.5 | 72.3 | -163.1 | 2.9 | 110.7 | E357 A360 W392 | E357-R384 HydrophobicContact CB-CG 4.23Å; E357-R384 HydrophobicContact CG-CG 4.14Å; E357-R384 IonicContact OE1-CZ 2.99Å; E357-R384 IonicContact OE1-NE 3.44Å; E357-R384 PolarHBondContact OE1-NE 2.79Å; E357-R384 IonicContact OE1-NH2 3.92Å; E357-R384 PolarHBondContact OE1-NH2 2.92Å; E357-R384 VanDerWaalsContact OE1-NH2 3.08Å; A360-R384 HydrophobicContact CB-CG 3.89Å; R384-W392 HydrophobicContact CB-CB 3.9Å; R384-W392 HydrophobicContact CB-CD2 4.42Å; R384-W392 HydrophobicContact CB-CG 3.89Å; R384-W392 VanDerWaalsContact CD-CD2 3.48Å; R384-W392 HydrophobicContact CG-CB 4.31Å; R384-W392 HydrophobicContact CG-CD2 4.16Å; R384-W392 HydrophobicContact CG-CE3 4.36Å; R384-W392 HydrophobicContact CG-CG 4.13Å; R384-W392 VanDerWaalsContact NH1-CE2 3.32Å |
| 385 | R | 90.9 | Very high | 91.1 | Very high | 29 Ų | 29 | 34.6 Ų | 34.6 | 11% | 0.109 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -137.5 | 153.3 | 176.2 | -53.1 | -174.7 | -176.3 | 168 | -6.7 | 109.9 | V387 W476 T639 W640 D644 | R385-V387 HydrophobicContact CG-CG2 4.21Å; R385-W476 HydrophobicContact CB-CH2 3.98Å; R385-W476 HydrophobicContact CB-CZ2 3.61Å; R385-W476 HydrophobicContact CG-CD2 4.22Å; R385-W476 HydrophobicContact CG-CH2 4.33Å; R385-W476 HydrophobicContact CG-CZ2 3.82Å; R385-T639 VanDerWaalsContact CD-O 3.29Å; R385-T639 WeakPolarHBondContact CD-O 3.38Å; R385-T639 PolarHBondContact NE-O 3.04Å; R385-W640 VanDerWaalsContact NH1-CD2 3.33Å; R385-W640 VanDerWaalsContact NH1-CG 3.27Å; R385-D644 IonicContact CZ-OD2 2.82Å; R385-D644 IonicContact NH2-OD1 3.83Å; R385-D644 PolarHBondContact NH2-OD1 3.25Å; R385-D644 IonicContact NH2-OD2 2.8Å; R385-D644 PolarHBondContact NH2-OD2 3.18Å |
| 386 | P | 88.7 | Confident | 91.1 | Very high | 90 Ų | 90 | 34 Ų | 34 | 58% | 0.584 | 16% | 0.163 | S | C | * | . | S | Bend | cis | -64 | 146.1 | 0 | 29.2 | -36 | 0 | 0 | 0 | 112 | R388 | P386-R388 PolarHBondContact O-N 3.29Š|
| 387 | V | 87.8 | Confident | 91.4 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 5% | 0.048 | 16% | 0.164 | C | C | . | . | trans | -76.2 | 114.2 | -179.2 | 173.7 | 0 | 0 | 0 | 0 | 108.2 | F382 R385 I641 | F382-V387 HydrophobicContact CB-CG2 3.8Å; F382-V387 HydrophobicContact CD1-CB 4.39Å; F382-V387 HydrophobicContact CD1-CG1 3.7Å; F382-V387 HydrophobicContact CD1-CG2 3.82Å; F382-V387 HydrophobicContact CD2-CG2 4.2Å; F382-V387 HydrophobicContact CE1-CG1 3.47Å; F382-V387 VanDerWaalsContact CE1-CG1 3.47Å; F382-V387 HydrophobicContact CE1-CG2 4.43Å; F382-V387 HydrophobicContact CE2-CG1 4.36Å; F382-V387 HydrophobicContact CG-CG1 4.23Å; F382-V387 HydrophobicContact CG-CG2 3.68Å; F382-V387 HydrophobicContact CZ-CG1 3.84Å; R385-V387 HydrophobicContact CG-CG2 4.21Å; V387-I641 HydrophobicContact CB-CD1 4.01Å; V387-I641 HydrophobicContact CG1-CD1 3.95Å; V387-I641 HydrophobicContact CG2-CD1 3.81Å | ||
| 388 | R | 84.9 | Confident | 91.6 | Very high | 198 Ų | 198 | 34 Ų | 34 | 75% | 0.747 | 16% | 0.162 | S | C | * | . | trans | -100.6 | -37.6 | 179.1 | -63.5 | -176.9 | -179.2 | -179.9 | -0.8 | 112.3 | P386 | P386-R388 PolarHBondContact O-N 3.29Š| ||
| 389 | D | 85.2 | Confident | 91.8 | Very high | 63 Ų | 63 | 35.1 Ų | 35.1 | 34% | 0.337 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -156 | 178.7 | -176.8 | 57.4 | 43.4 | 0 | 0 | 0 | 109.4 | F382 T391 | F382-D389 WeakPolarHBondContact CE1-O 3.19Å; D389-T391 PolarHBondContact O-N 3Å; D389-T391 WeakPolarHBondContact OD1-CA 3.43Å; D389-T391 WeakPolarHBondContact OD1-CB 3.4Å; D389-T391 PolarHBondContact OD1-N 2.81Å; D389-T391 PolarHBondContact OD1-OG1 3.45Å; D389-T391 PolarHBondContact OD2-OG1 3.11Å |
| 390 | N | 88.2 | Confident | 91.9 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 9% | 0.086 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -76.5 | 0.7 | 179.3 | -83.5 | -50.4 | 0 | 0 | 0 | 114.7 | F382 W392 R393 M396 L628 E629 | F382-N390 WeakPolarHBondContact CZ-OD1 3.47Å; N390-W392 VanDerWaalsContact C-N 3.29Å; N390-W392 PolarHBondContact O-N 3.1Å; N390-R393 WeakPolarHBondContact O-CB 3.28Å; N390-R393 PolarHBondContact O-N 3.49Å; N390-R393 PolarHBondContact OD1-NH1 3Å; N390-M396 HydrophobicContact CB-CG 4.42Å; N390-M396 VanDerWaalsContact O-CB 3.29Å; N390-M396 WeakPolarHBondContact O-CB 3.16Å; N390-L628 PolarHBondContact ND2-O 2.89Å; N390-L628 VanDerWaalsContact ND2-O 3.1Å; N390-E629 PolarHBondContact ND2-OE2 2.78Å |
| 391 | T | 89.3 | Confident | 92.3 | Very high | 77 Ų | 77 | 36.4 Ų | 36.4 | 47% | 0.472 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -60 | -37.9 | -173 | -54.4 | 0 | 0 | 0 | 0 | 112.6 | D389 | D389-T391 PolarHBondContact O-N 3Å; D389-T391 WeakPolarHBondContact OD1-CA 3.43Å; D389-T391 WeakPolarHBondContact OD1-CB 3.4Å; D389-T391 PolarHBondContact OD1-N 2.81Å; D389-T391 PolarHBondContact OD1-OG1 3.45Å; D389-T391 PolarHBondContact OD2-OG1 3.11Å |
| 392 | W | 93.8 | Very high | 92.2 | Very high | 62 Ų | 62 | 36.4 Ų | 36.4 | 24% | 0.235 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -98.3 | 11.2 | -175.1 | -57.7 | 108.5 | 0 | 0 | 0 | 114 | A360 L383 R384 N390 L397 | A360-W392 HydrophobicContact CB-CE3 3.74Å; A360-W392 HydrophobicContact CB-CZ3 4Å; L383-W392 PolarHBondContact N-O 2.76Å; R384-W392 HydrophobicContact CB-CB 3.9Å; R384-W392 HydrophobicContact CB-CD2 4.42Å; R384-W392 HydrophobicContact CB-CG 3.89Å; R384-W392 VanDerWaalsContact CD-CD2 3.48Å; R384-W392 HydrophobicContact CG-CB 4.31Å; R384-W392 HydrophobicContact CG-CD2 4.16Å; R384-W392 HydrophobicContact CG-CE3 4.36Å; R384-W392 HydrophobicContact CG-CG 4.13Å; R384-W392 VanDerWaalsContact NH1-CE2 3.32Å; N390-W392 VanDerWaalsContact C-N 3.29Å; N390-W392 PolarHBondContact O-N 3.1Å; W392-L397 HydrophobicContact CZ3-CD1 4.49Å |
| 393 | R | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -73.7 | 134 | 168.9 | -155.2 | 175.2 | 76.2 | -160.2 | 13.3 | 109.1 | T380 V381 F382 N390 D395 M396 L397 L625 | T380-R393 WeakPolarHBondContact O-CG 3.42Å; V381-R393 WeakPolarHBondContact O-CA 3.39Å; F382-R393 HydrophobicContact CD1-CB 4.09Å; F382-R393 HydrophobicContact CD1-CG 4.4Å; F382-R393 HydrophobicContact CD2-CG 4.46Å; F382-R393 HydrophobicContact CE1-CB 3.93Å; F382-R393 HydrophobicContact CE1-CG 4.25Å; F382-R393 HydrophobicContact CE2-CG 4.3Å; F382-R393 HydrophobicContact CZ-CB 4.33Å; F382-R393 HydrophobicContact CZ-CG 4.2Å; N390-R393 WeakPolarHBondContact O-CB 3.28Å; N390-R393 PolarHBondContact O-N 3.49Å; N390-R393 PolarHBondContact OD1-NH1 3Å; R393-D395 WeakPolarHBondContact CG-OD1 3.13Å; R393-D395 IonicContact CZ-OD1 3.69Å; R393-D395 IonicContact CZ-OD2 2.74Å; R393-D395 IonicContact NE-OD1 3.33Å; R393-D395 PolarHBondContact NE-OD1 3.02Å; R393-D395 IonicContact NE-OD2 3.9Å; R393-D395 PolarHBondContact NE-OD2 3.42Å; R393-D395 IonicContact NH2-OD1 3.84Å; R393-D395 PolarHBondContact NH2-OD1 2.87Å; R393-D395 IonicContact NH2-OD2 2.73Å; R393-D395 PolarHBondContact NH2-OD2 3.23Å; R393-D395 PolarHBondContact O-N 2.9Å; R393-M396 HydrophobicContact CB-CB 4.26Å; R393-M396 HydrophobicContact CB-CG 4.31Å; R393-M396 PolarHBondContact O-N 3.45Å; R393-M396 VanDerWaalsContact O-N 3.12Å; R393-L397 WeakPolarHBondContact O-CB 3.42Å; R393-L397 PolarHBondContact O-N 2.94Å; R393-L625 VanDerWaalsContact NH2-CD2 3.34Å |
| 394 | L | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.8 | -46.8 | -168.6 | 175 | 58 | 0 | 0 | 0 | 113.2 | M377 P379 V381 L383 M396 L397 L398 L471 | M377-L394 HydrophobicContact CE-CD1 4.22Å; M377-L394 HydrophobicContact CE-CD2 3.35Å; M377-L394 HydrophobicContact CE-CG 3.84Å; M377-L394 HydrophobicContact CG-CD2 4.24Å; P379-L394 WeakPolarHBondContact O-CB 3.24Å; V381-L394 HydrophobicContact CG1-CB 3.96Å; V381-L394 HydrophobicContact CG1-CD2 3.88Å; V381-L394 PolarHBondContact O-N 3.12Å; L383-L394 HydrophobicContact CD1-CD1 4.09Å; L383-L394 HydrophobicContact CG-CB 4.43Å; L394-M396 PolarHBondContact O-N 2.81Å; L394-L397 PolarHBondContact O-N 3.47Å; L394-L398 HydrophobicContact CD1-CD1 3.95Å; L394-L398 HydrophobicContact CD1-CG 4.08Å; L394-L398 HydrophobicContact CG-CD1 4.25Å; L394-L398 WeakPolarHBondContact O-CB 3.4Å; L394-L398 WeakPolarHBondContact O-CG 2.91Å; L394-L398 PolarHBondContact O-N 3.17Å; L394-L471 HydrophobicContact CD1-CD1 4.32Å; L394-L471 HydrophobicContact CD2-CB 3.87Å; L394-L471 HydrophobicContact CD2-CD1 4.12Å |
| 395 | D | 92.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 176.4 | 62.7 | -14 | 0 | 0 | 0 | 113.6 | P379 R393 H399 W430 L431 L434 | P379-D395 HydrophobicContact CB-CB 3.94Å; P379-D395 VanDerWaalsContact O-CB 3.27Å; P379-D395 WeakPolarHBondContact O-CB 3.22Å; P379-D395 VanDerWaalsContact O-CG 3.27Å; P379-D395 PolarHBondContact O-N 3.35Å; R393-D395 WeakPolarHBondContact CG-OD1 3.13Å; R393-D395 IonicContact CZ-OD1 3.69Å; R393-D395 IonicContact CZ-OD2 2.74Å; R393-D395 IonicContact NE-OD1 3.33Å; R393-D395 PolarHBondContact NE-OD1 3.02Å; R393-D395 IonicContact NE-OD2 3.9Å; R393-D395 PolarHBondContact NE-OD2 3.42Å; R393-D395 IonicContact NH2-OD1 3.84Å; R393-D395 PolarHBondContact NH2-OD1 2.87Å; R393-D395 IonicContact NH2-OD2 2.73Å; R393-D395 PolarHBondContact NH2-OD2 3.23Å; R393-D395 PolarHBondContact O-N 2.9Å; D395-H399 WeakPolarHBondContact O-CB 3.23Å; D395-H399 PolarHBondContact O-N 2.87Å; D395-W430 PolarHBondContact OD2-NE1 3.23Å; D395-L431 HydrophobicContact CB-CD2 3.83Å; D395-L434 HydrophobicContact CB-CD1 3.85Å |
| 396 | M | 92.2 | Very high | 91.5 | Very high | 47 Ų | 47 | 44 Ų | 44 | 23% | 0.232 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.3 | -42.3 | 178 | -71.7 | -65 | 167.2 | 0 | 0 | 111.9 | N390 R393 L394 H399 A400 L625 | N390-M396 HydrophobicContact CB-CG 4.42Å; N390-M396 VanDerWaalsContact O-CB 3.29Å; N390-M396 WeakPolarHBondContact O-CB 3.16Å; R393-M396 HydrophobicContact CB-CB 4.26Å; R393-M396 HydrophobicContact CB-CG 4.31Å; R393-M396 PolarHBondContact O-N 3.45Å; R393-M396 VanDerWaalsContact O-N 3.12Å; L394-M396 PolarHBondContact O-N 2.81Å; M396-H399 PolarHBondContact O-N 3.38Å; M396-A400 WeakPolarHBondContact O-CB 3.37Å; M396-A400 PolarHBondContact O-N 2.82Å; M396-L625 HydrophobicContact CE-CD2 3.51Å; M396-L625 HydrophobicContact CE-CG 4.43Å |
| 397 | L | 96.3 | Very high | 91.6 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 5% | 0.047 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.9 | -47.9 | 175.8 | -179.8 | 60.5 | 0 | 0 | 0 | 110.9 | A360 I363 L383 W392 R393 L394 H399 A400 K401 | A360-L397 HydrophobicContact CB-CD2 4.27Å; I363-L397 HydrophobicContact CB-CD2 3.89Å; I363-L397 HydrophobicContact CB-CG 4.22Å; I363-L397 HydrophobicContact CD1-CD2 4.38Å; I363-L397 HydrophobicContact CG2-CD1 4.25Å; I363-L397 HydrophobicContact CG2-CD2 3.86Å; I363-L397 HydrophobicContact CG2-CG 3.65Å; L383-L397 HydrophobicContact CD1-CD2 4.09Å; W392-L397 HydrophobicContact CZ3-CD1 4.49Å; R393-L397 WeakPolarHBondContact O-CB 3.42Å; R393-L397 PolarHBondContact O-N 2.94Å; L394-L397 PolarHBondContact O-N 3.47Å; L397-H399 PolarHBondContact O-N 3.38Å; L397-A400 PolarHBondContact O-N 3.42Å; L397-K401 WeakPolarHBondContact O-CG 3.2Å; L397-K401 PolarHBondContact O-N 2.88Å; L397-K401 VanDerWaalsContact O-N 3.09Å |
| 398 | L | 97.3 | Very high | 92 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | 176.2 | -67 | 177.2 | 0 | 0 | 0 | 111.9 | I363 I372 M377 L394 K401 A402 I408 I410 L431 | I363-L398 HydrophobicContact CD1-CD2 4.27Å; I363-L398 HydrophobicContact CG2-CD2 4.13Å; I372-L398 HydrophobicContact CD1-CD1 4.31Å; I372-L398 HydrophobicContact CD1-CD2 4.21Å; M377-L398 HydrophobicContact CE-CD1 4.14Å; L394-L398 HydrophobicContact CD1-CD1 3.95Å; L394-L398 HydrophobicContact CD1-CG 4.08Å; L394-L398 HydrophobicContact CG-CD1 4.25Å; L394-L398 WeakPolarHBondContact O-CB 3.4Å; L394-L398 WeakPolarHBondContact O-CG 2.91Å; L394-L398 PolarHBondContact O-N 3.17Å; L398-K401 PolarHBondContact O-N 2.83Å; L398-A402 WeakPolarHBondContact O-CB 3.22Å; L398-A402 PolarHBondContact O-N 2.9Å; L398-I408 HydrophobicContact CD1-CG2 4.37Å; L398-I408 HydrophobicContact CD2-CD1 4.11Å; L398-I408 HydrophobicContact CD2-CG1 4.41Å; L398-I408 HydrophobicContact CD2-CG2 3.85Å; L398-I410 HydrophobicContact CD1-CD1 4.13Å; L398-L431 HydrophobicContact CD1-CD2 4.42Å |
| 399 | H | 94.9 | Very high | 92.6 | Very high | 34 Ų | 34 | 30.8 Ų | 30.8 | 16% | 0.157 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 176.7 | -179.8 | -161.9 | 0 | 0 | 0 | 112.1 | D395 M396 L397 K401 A402 K403 L434 | D395-H399 WeakPolarHBondContact O-CB 3.23Å; D395-H399 PolarHBondContact O-N 2.87Å; M396-H399 PolarHBondContact O-N 3.38Å; L397-H399 PolarHBondContact O-N 3.38Å; H399-K401 PolarHBondContact O-N 3.33Å; H399-A402 PolarHBondContact O-N 3.3Å; H399-K403 WeakPolarHBondContact NE2-CE 3.47Å; H399-K403 PolarHBondContact O-N 3.35Å; H399-L434 HydrophobicContact CB-CB 4.3Å; H399-L434 HydrophobicContact CB-CD1 4.34Å; H399-L434 PolarHBondContact CD2-O 3.13Å; H399-L434 PolarHBondContact NE2-O 2.64Å |
| 400 | A | 93.9 | Very high | 93.2 | Very high | 44 Ų | 44 | 27.8 Ų | 27.8 | 36% | 0.364 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M396 L397 K403 Q404 | M396-A400 WeakPolarHBondContact O-CB 3.37Å; M396-A400 PolarHBondContact O-N 2.82Å; L397-A400 PolarHBondContact O-N 3.42Å; A400-K403 PolarHBondContact O-N 3.5Å; A400-Q404 WeakPolarHBondContact O-CG 3.26Å; A400-Q404 PolarHBondContact O-N 3.04Å |
| 401 | K | 96.4 | Very high | 93.4 | Very high | 9 Ų | 9 | 27.1 Ų | 27.1 | 4% | 0.039 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.2 | -38.6 | 175.7 | -63.9 | -55.1 | -60.4 | -177.8 | 0 | 112.5 | I363 S364 A366 L397 L398 H399 K403 Q404 G405 V406 | I363-K401 HydrophobicContact CG2-CG 4.03Å; I363-K401 WeakPolarHBondContact O-CD 3.32Å; I363-K401 WeakPolarHBondContact O-CE 3.42Å; I363-K401 WeakPolarHBondContact O-CG 3.43Å; S364-K401 WeakPolarHBondContact O-CD 3.21Å; S364-K401 WeakPolarHBondContact O-CE 3.17Å; S364-K401 PolarHBondContact O-NZ 2.79Å; A366-K401 WeakPolarHBondContact O-CE 3.49Å; A366-K401 PolarHBondContact O-NZ 3.04Å; L397-K401 WeakPolarHBondContact O-CG 3.2Å; L397-K401 PolarHBondContact O-N 2.88Å; L397-K401 VanDerWaalsContact O-N 3.09Å; L398-K401 PolarHBondContact O-N 2.83Å; H399-K401 PolarHBondContact O-N 3.33Å; K401-K403 VanDerWaalsContact C-N 3.3Å; K401-K403 PolarHBondContact O-N 3.08Å; K401-Q404 CarbonylContact O-C 2.89Å; K401-Q404 WeakPolarHBondContact O-CA 3.36Å; K401-Q404 WeakPolarHBondContact O-CB 3.4Å; K401-Q404 PolarHBondContact O-N 3.47Å; K401-G405 PolarHBondContact O-N 2.96Å; K401-V406 HydrophobicContact CB-CB 4.03Å; K401-V406 HydrophobicContact CB-CG1 4.46Å; K401-V406 HydrophobicContact CB-CG2 4.15Å; K401-V406 VanDerWaalsContact O-CB 3.31Å; K401-V406 WeakPolarHBondContact O-CB 3.41Å; K401-V406 WeakPolarHBondContact O-CG2 3.43Å; K401-V406 PolarHBondContact O-N 3.21Å |
| 402 | A | 92 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.8 | -39.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L398 H399 Q404 G405 V406 I408 H435 N437 I438 | L398-A402 WeakPolarHBondContact O-CB 3.22Å; L398-A402 PolarHBondContact O-N 2.9Å; H399-A402 PolarHBondContact O-N 3.3Å; A402-Q404 VanDerWaalsContact C-N 3.3Å; A402-Q404 PolarHBondContact O-N 3.24Å; A402-G405 PolarHBondContact O-N 3.2Å; A402-G405 VanDerWaalsContact O-N 3.08Å; A402-V406 WeakPolarHBondContact CA-O 3.49Å; A402-I408 HydrophobicContact CB-CG1 4.37Å; A402-H435 HydrophobicContact CB-CB 3.75Å; A402-H435 PolarHBondContact O-CE1 3.46Å; A402-H435 PolarHBondContact O-ND1 3.18Å; A402-N437 HydrophobicContact CB-CB 4.13Å; A402-N437 PolarHBondContact O-ND2 2.81Å; A402-I438 HydrophobicContact CB-CD1 4.04Å; A402-I438 HydrophobicContact CB-CG1 3.8Å |
| 403 | K | 91.7 | Very high | 93.4 | Very high | 135 Ų | 135 | 22.1 Ų | 22.1 | 59% | 0.587 | 11% | 0.11 | S | C | * | . | H | α-helix | trans | -63.5 | -32.6 | 172.6 | -78.2 | -177.3 | 169.9 | 171.7 | 0 | 113.3 | H399 A400 K401 G405 | H399-K403 WeakPolarHBondContact NE2-CE 3.47Å; H399-K403 PolarHBondContact O-N 3.35Å; A400-K403 PolarHBondContact O-N 3.5Å; K401-K403 VanDerWaalsContact C-N 3.3Å; K401-K403 PolarHBondContact O-N 3.08Å; K403-G405 PolarHBondContact O-N 2.98Å |
| 404 | Q | 91.4 | Very high | 92.9 | Very high | 123 Ų | 123 | 24.5 Ų | 24.5 | 58% | 0.575 | 12% | 0.12 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | 0.7 | 174.3 | -65.1 | 171.4 | 16.2 | 0 | 0 | 113 | A400 K401 A402 | A400-Q404 WeakPolarHBondContact O-CG 3.26Å; A400-Q404 PolarHBondContact O-N 3.04Å; K401-Q404 CarbonylContact O-C 2.89Å; K401-Q404 WeakPolarHBondContact O-CA 3.36Å; K401-Q404 WeakPolarHBondContact O-CB 3.4Å; K401-Q404 PolarHBondContact O-N 3.47Å; A402-Q404 VanDerWaalsContact C-N 3.3Å; A402-Q404 PolarHBondContact O-N 3.24Å |
| 405 | G | 84.6 | Confident | 92.1 | Very high | 6 Ų | 6 | 24.8 Ų | 24.8 | 6% | 0.062 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.3 | -8.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y18 K401 A402 K403 K407 | Y18-G405 VanDerWaalsContact CD1-O 3.23Å; Y18-G405 WeakPolarHBondContact CD1-O 3.49Å; Y18-G405 WeakPolarHBondContact CE1-O 3.38Å; K401-G405 PolarHBondContact O-N 2.96Å; A402-G405 PolarHBondContact O-N 3.2Å; A402-G405 VanDerWaalsContact O-N 3.08Å; K403-G405 PolarHBondContact O-N 2.98Å; G405-K407 PolarHBondContact O-N 2.83Å |
| 406 | V | 91.7 | Very high | 91 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 14% | 0.138 | C | C | . | . | P | Polyproline II helix | trans | -62.9 | 129.4 | 179.1 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | A366 V370 K401 A402 I408 | A366-V406 HydrophobicContact CB-CG1 3.95Å; A366-V406 HydrophobicContact CB-CG2 4.42Å; A366-V406 WeakPolarHBondContact O-CG2 3.36Å; V370-V406 HydrophobicContact CG2-CG1 4.04Å; K401-V406 HydrophobicContact CB-CB 4.03Å; K401-V406 HydrophobicContact CB-CG1 4.46Å; K401-V406 HydrophobicContact CB-CG2 4.15Å; K401-V406 VanDerWaalsContact O-CB 3.31Å; K401-V406 WeakPolarHBondContact O-CB 3.41Å; K401-V406 WeakPolarHBondContact O-CG2 3.43Å; K401-V406 PolarHBondContact O-N 3.21Å; A402-V406 WeakPolarHBondContact CA-O 3.49Å; V406-I408 HydrophobicContact CB-CD1 4.44Å; V406-I408 HydrophobicContact CG1-CD1 3.83Å |
| 407 | K | 90.4 | Very high | 89.7 | Confident | 15 Ų | 15 | 29.7 Ų | 29.7 | 7% | 0.065 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 121.1 | 178.7 | -62.4 | -173 | 178.5 | -175.3 | 0 | 110.4 | Y18 E19 H368 E369 V370 G405 Y409 | Y18-K407 HydrophobicContact CE1-CG 4.46Å; E19-K407 IonicContact OE1-NZ 2.95Å; E19-K407 PolarHBondContact OE1-NZ 3.43Å; H368-K407 PolarHBondContact O-N 2.94Å; E369-K407 CarbonylContact C-O 3.54Å; E369-K407 WeakPolarHBondContact CA-O 3.47Å; E369-K407 HydrophobicContact CB-CB 4.41Å; E369-K407 VanDerWaalsContact CB-O 3.29Å; E369-K407 WeakPolarHBondContact CB-O 3.49Å; V370-K407 PolarHBondContact N-O 2.97Å; G405-K407 PolarHBondContact O-N 2.83Å; K407-Y409 HydrophobicContact CB-CD2 4.36Å; K407-Y409 HydrophobicContact CB-CE2 3.49Å; K407-Y409 VanDerWaalsContact CB-CE2 3.49Å; K407-Y409 VanDerWaalsContact CD-OH 3.22Å; K407-Y409 WeakPolarHBondContact CD-OH 3.38Å |
| 408 | I | 96.4 | Very high | 88 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.9 | -177.8 | -48.7 | -59 | 0 | 0 | 0 | 108.7 | V370 L398 A402 V406 I410 N437 I438 Y439 | V370-I408 HydrophobicContact CB-CD1 3.69Å; V370-I408 HydrophobicContact CG2-CD1 3.68Å; L398-I408 HydrophobicContact CD1-CG2 4.37Å; L398-I408 HydrophobicContact CD2-CD1 4.11Å; L398-I408 HydrophobicContact CD2-CG1 4.41Å; L398-I408 HydrophobicContact CD2-CG2 3.85Å; A402-I408 HydrophobicContact CB-CG1 4.37Å; V406-I408 HydrophobicContact CB-CD1 4.44Å; V406-I408 HydrophobicContact CG1-CD1 3.83Å; I408-I410 HydrophobicContact CG2-CD1 4.11Å; I408-I410 HydrophobicContact CG2-CG1 3.99Å; I408-N437 PolarHBondContact N-O 2.8Å; I408-I438 HydrophobicContact CB-CB 4.5Å; I408-I438 HydrophobicContact CB-CG1 4.08Å; I408-I438 HydrophobicContact CB-CG2 4.46Å; I408-I438 HydrophobicContact CG1-CG1 4.11Å; I408-Y439 PolarHBondContact O-N 2.83Å |
| 409 | Y | 97.1 | Very high | 86.4 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 118.6 | -179.3 | -55.7 | -84.4 | 0 | 0 | 0 | 110.2 | E369 V370 F371 I372 K407 Y439 F693 W697 P722 L724 | E369-Y409 HydrophobicContact CB-CD2 4.32Å; E369-Y409 HydrophobicContact CB-CE2 4.01Å; V370-Y409 PolarHBondContact O-N 3.08Å; F371-Y409 CarbonylContact C-O 3.52Å; F371-Y409 WeakPolarHBondContact CA-O 3.44Å; F371-Y409 AromaticContact CD1-CD2 3.61Å; F371-Y409 HydrophobicContact CD1-CD2 3.61Å; F371-Y409 HydrophobicContact CD1-CG 4.17Å; F371-Y409 AromaticContact CE1-CD2 3.44Å; F371-Y409 HydrophobicContact CE1-CD2 3.44Å; F371-Y409 VanDerWaalsContact CE1-CD2 3.44Å; F371-Y409 AromaticContact CE1-CE2 3.92Å; F371-Y409 HydrophobicContact CE1-CE2 3.92Å; F371-Y409 HydrophobicContact CE1-CG 4.22Å; I372-Y409 PolarHBondContact N-O 2.78Å; K407-Y409 HydrophobicContact CB-CD2 4.36Å; K407-Y409 HydrophobicContact CB-CE2 3.49Å; K407-Y409 VanDerWaalsContact CB-CE2 3.49Å; K407-Y409 VanDerWaalsContact CD-OH 3.22Å; K407-Y409 WeakPolarHBondContact CD-OH 3.38Å; Y409-Y439 CarbonylContact C-O 3.58Å; Y409-Y439 WeakPolarHBondContact CA-O 3.17Å; Y409-Y439 AromaticContact CD1-CD2 3.88Å; Y409-Y439 HydrophobicContact CD1-CD2 3.88Å; Y409-Y439 HydrophobicContact CD1-CG 4.11Å; Y409-Y439 AromaticContact CE1-CD2 3.58Å; Y409-Y439 HydrophobicContact CE1-CD2 3.58Å; Y409-Y439 HydrophobicContact CE1-CE2 4.18Å; Y409-Y439 HydrophobicContact CE1-CG 4.03Å; Y409-F693 WeakPolarHBondContact O-CZ 3.24Å; Y409-W697 HydrophobicContact CD1-CD2 4.47Å; Y409-W697 AromaticContact CD1-CE2 3.84Å; Y409-W697 AromaticContact CD1-CH2 3.73Å; Y409-W697 HydrophobicContact CD1-CH2 3.73Å; Y409-W697 AromaticContact CD1-CZ2 3.45Å; Y409-W697 HydrophobicContact CD1-CZ2 3.45Å; Y409-W697 VanDerWaalsContact CD1-CZ2 3.45Å; Y409-W697 HydrophobicContact CD1-CZ3 4.33Å; Y409-W697 HydrophobicContact CE1-CZ2 4.1Å; Y409-W697 HydrophobicContact CG-CH2 4.44Å; Y409-W697 HydrophobicContact CG-CZ2 4.45Å; Y409-P722 HydrophobicContact CE1-CB 3.97Å; Y409-P722 HydrophobicContact CE1-CG 3.87Å; Y409-P722 WeakPolarHBondContact OH-CB 3.48Å; Y409-P722 WeakPolarHBondContact OH-CG 3.19Å; Y409-L724 HydrophobicContact CD1-CD2 4.1Å; Y409-L724 HydrophobicContact CD2-CD2 4.16Å; Y409-L724 HydrophobicContact CE1-CD2 3.64Å; Y409-L724 HydrophobicContact CE2-CD2 3.66Å; Y409-L724 HydrophobicContact CG-CD1 4.46Å; Y409-L724 HydrophobicContact CG-CD2 4.32Å |
| 410 | I | 97.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133 | -175.8 | -48 | -179.4 | 0 | 0 | 0 | 110 | I372 M377 L398 I408 L412 L431 Y439 I440 Y441 | I372-I410 HydrophobicContact CB-CB 4.47Å; I372-I410 HydrophobicContact CB-CG1 4.18Å; I372-I410 HydrophobicContact CB-CG2 4.13Å; I372-I410 HydrophobicContact CD1-CD1 4.37Å; I372-I410 HydrophobicContact CD1-CG1 4.39Å; I372-I410 HydrophobicContact CG2-CG2 4.27Å; I372-I410 CarbonylContact O-C 3.57Å; I372-I410 VanDerWaalsContact O-CA 3.31Å; I372-I410 WeakPolarHBondContact O-CA 3.32Å; M377-I410 HydrophobicContact CE-CD1 4.08Å; M377-I410 HydrophobicContact SD-CD1 4.32Å; M377-I410 HydrophobicContact SD-CG2 4.08Å; L398-I410 HydrophobicContact CD1-CD1 4.13Å; I408-I410 HydrophobicContact CG2-CD1 4.11Å; I408-I410 HydrophobicContact CG2-CG1 3.99Å; I410-L412 HydrophobicContact CG2-CD2 3.74Å; I410-L412 HydrophobicContact CG2-CG 3.89Å; I410-L431 HydrophobicContact CD1-CD1 3.74Å; I410-Y439 PolarHBondContact N-O 2.86Å; I410-I440 HydrophobicContact CB-CD1 4.44Å; I410-I440 HydrophobicContact CB-CG1 4.03Å; I410-I440 HydrophobicContact CB-CG2 4.3Å; I410-I440 HydrophobicContact CD1-CD1 4.04Å; I410-I440 HydrophobicContact CD1-CG1 4.3Å; I410-I440 HydrophobicContact CG1-CG1 4.34Å; I410-I440 WeakPolarHBondContact O-CA 3.49Å; I410-Y441 PolarHBondContact O-N 3.35Å |
| 411 | M | 94.3 | Very high | 84.1 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 112.2 | 170.6 | -164.2 | 173.2 | -44.2 | 0 | 0 | 109.4 | I372 T373 D374 Y441 H452 F693 R696 W697 I700 | I372-M411 PolarHBondContact O-N 3.49Å; T373-M411 WeakPolarHBondContact CA-O 3.36Å; T373-M411 HydrophobicContact CG2-CB 4.31Å; D374-M411 PolarHBondContact N-O 3.38Å; D374-M411 VanDerWaalsContact N-O 3.1Å; M411-Y441 WeakPolarHBondContact CA-O 3.47Å; M411-H452 PolarHBondContact O-NE2 2.72Å; M411-F693 HydrophobicContact CB-CE2 4.16Å; M411-F693 HydrophobicContact CE-CE2 4.33Å; M411-R696 HydrophobicContact CE-CB 3.76Å; M411-R696 HydrophobicContact SD-CB 4.22Å; M411-W697 HydrophobicContact CE-CB 4.36Å; M411-W697 HydrophobicContact CE-CE3 4.47Å; M411-I700 HydrophobicContact CE-CD1 3.69Å; M411-I700 HydrophobicContact CG-CD1 4.24Å; M411-I700 HydrophobicContact SD-CD1 3.44Å; M411-I700 WeakPolarHBondContact SD-CD1 3.45Å |
| 412 | L | 92 | Very high | 83.2 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 153.1 | 178.7 | -61.4 | 177.5 | 0 | 0 | 0 | 111.2 | D374 M377 I410 K414 V427 I440 Y441 R442 S443 | D374-L412 HydrophobicContact CB-CD2 4.01Å; M377-L412 HydrophobicContact CB-CD2 3.75Å; M377-L412 HydrophobicContact CG-CD2 4.49Å; M377-L412 HydrophobicContact SD-CD2 3.96Å; I410-L412 HydrophobicContact CG2-CD2 3.74Å; I410-L412 HydrophobicContact CG2-CG 3.89Å; L412-K414 PolarHBondContact O-N 2.96Å; L412-V427 HydrophobicContact CD1-CB 4.1Å; L412-V427 HydrophobicContact CD1-CG1 3.58Å; L412-I440 HydrophobicContact CD1-CG2 4.28Å; L412-I440 HydrophobicContact CG-CG2 4.49Å; L412-Y441 PolarHBondContact N-O 2.8Å; L412-R442 CarbonylContact O-C 3.59Å; L412-R442 VanDerWaalsContact O-CA 3.22Å; L412-R442 WeakPolarHBondContact O-CA 3.45Å; L412-S443 PolarHBondContact O-N 2.86Å |
| 413 | Y | 89.4 | Confident | 82.5 | Confident | 31 Ų | 31 | 44.2 Ų | 44.2 | 12% | 0.122 | 22% | 0.22 | C | C | . | . | trans | -58 | 134.1 | 167.9 | 178.8 | -138.4 | 0 | 0 | 0 | 111.3 | D374 W375 E415 V420 S424 S451 H452 | D374-Y413 PolarHBondContact O-N 3.39Å; W375-Y413 AromaticContact CD1-CD1 3.75Å; W375-Y413 AromaticContact NE1-CD1 3.68Å; W375-Y413 AromaticContact NE1-CE1 3.99Å; Y413-E415 HydrophobicContact CD1-CB 3.79Å; Y413-E415 HydrophobicContact CE1-CB 3.66Å; Y413-E415 PolarHBondContact O-N 3.27Å; Y413-V420 HydrophobicContact CE1-CG2 4.49Å; Y413-S424 WeakPolarHBondContact O-CB 3.47Å; Y413-S424 PolarHBondContact O-OG 3.05Å; Y413-S424 VanDerWaalsContact O-OG 3.07Å; Y413-S451 VanDerWaalsContact CE2-CA 3.48Å; Y413-H452 HydrophobicContact CD2-CB 3.93Å; Y413-H452 VanDerWaalsContact CD2-N 3.31Å; Y413-H452 HydrophobicContact CG-CB 4.44Å | ||
| 414 | K | 83.1 | Confident | 82.2 | Confident | 50 Ų | 50 | 38.1 Ų | 38.1 | 22% | 0.217 | 20% | 0.195 | C | C | . | . | trans | -91.8 | 84.2 | 168.5 | -171 | 174.7 | 167.6 | -168.1 | 0 | 109.5 | L412 R442 S443 R445 | L412-K414 PolarHBondContact O-N 2.96Å; K414-R442 HydrophobicContact CB-CB 3.83Å; K414-R442 HydrophobicContact CG-CB 4.25Å; K414-S443 VanDerWaalsContact CB-O 3.27Å; K414-S443 WeakPolarHBondContact CB-O 3.4Å; K414-S443 PolarHBondContact N-OG 2.93Å; K414-R445 HydrophobicContact CD-CG 3.91Å; K414-R445 VanDerWaalsContact CE-CZ 3.45Å; K414-R445 HydrophobicContact CG-CG 4.39Å | ||
| 415 | E | 78.5 | Confident | 81.8 | Confident | 6 Ų | 6 | 33.8 Ų | 33.8 | 3% | 0.028 | 18% | 0.175 | C | C | . | . | trans | -66.4 | 162.2 | -177.3 | 75.6 | -74.1 | -173.4 | 0 | 0 | 115.2 | Y413 V420 R423 S424 | Y413-E415 HydrophobicContact CD1-CB 3.79Å; Y413-E415 HydrophobicContact CE1-CB 3.66Å; Y413-E415 PolarHBondContact O-N 3.27Å; E415-V420 HydrophobicContact CB-CG2 3.42Å; E415-V420 VanDerWaalsContact CB-CG2 3.42Å; E415-V420 HydrophobicContact CG-CG2 3.91Å; E415-R423 WeakPolarHBondContact OE1-CA 3.21Å; E415-R423 PolarHBondContact OE1-N 2.85Å; E415-R423 VanDerWaalsContact OE1-N 3.12Å; E415-S424 VanDerWaalsContact CD-OG 3.28Å; E415-S424 PolarHBondContact OE1-N 3.29Å; E415-S424 PolarHBondContact OE1-OG 3.33Å; E415-S424 WeakPolarHBondContact OE2-CB 3.26Å; E415-S424 PolarHBondContact OE2-OG 3.22Å | ||
| 416 | S | 70 | Confident | 81.7 | Confident | 49 Ų | 49 | 37.6 Ų | 37.6 | 34% | 0.343 | 19% | 0.19 | S | C | . | . | trans | -88.8 | 120.7 | 156.9 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | L418 A419 V420 | S416-L418 PolarHBondContact O-N 3.48Å; S416-L418 VanDerWaalsContact O-N 3.16Å; S416-A419 PolarHBondContact O-N 3.06Å; S416-V420 PolarHBondContact O-N 3.36Å | ||
| 417 | E | 64.5 | Low | 81.4 | Confident | 102 Ų | 102 | 37.9 Ų | 37.9 | 48% | 0.477 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -17 | 179 | -63.5 | -169.4 | -165.8 | 0 | 0 | 113 | V420 | E417-V420 WeakPolarHBondContact CA-O 3.3Š|
| 418 | L | 60.7 | Low | 81.2 | Confident | 112 Ų | 112 | 39.1 Ų | 39.1 | 59% | 0.586 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -33.7 | 171.1 | -65.5 | 173.3 | 0 | 0 | 0 | 112.3 | S416 | S416-L418 PolarHBondContact O-N 3.48Å; S416-L418 VanDerWaalsContact O-N 3.16Å |
| 419 | A | 63.3 | Low | 80.6 | Confident | 66 Ų | 66 | 47.6 Ų | 47.6 | 55% | 0.545 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -38.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S416 | S416-A419 PolarHBondContact O-N 3.06Š|
| 420 | V | 70.3 | Confident | 79.8 | Confident | 21 Ų | 21 | 49.5 Ų | 49.5 | 13% | 0.127 | 24% | 0.236 | C | C | . | . | trans | -144.7 | 144 | -180 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | W375 Y413 E415 S416 E417 F422 | W375-V420 HydrophobicContact CZ2-CG1 4.33Å; Y413-V420 HydrophobicContact CE1-CG2 4.49Å; E415-V420 HydrophobicContact CB-CG2 3.42Å; E415-V420 VanDerWaalsContact CB-CG2 3.42Å; E415-V420 HydrophobicContact CG-CG2 3.91Å; S416-V420 PolarHBondContact O-N 3.36Å; E417-V420 WeakPolarHBondContact CA-O 3.3Å; V420-F422 HydrophobicContact CB-CD2 3.94Å; V420-F422 HydrophobicContact CB-CE1 4.26Å; V420-F422 HydrophobicContact CB-CE2 3.58Å; V420-F422 HydrophobicContact CB-CG 4.4Å; V420-F422 HydrophobicContact CB-CZ 3.73Å; V420-F422 HydrophobicContact CG1-CE2 3.86Å; V420-F422 HydrophobicContact CG1-CZ 3.84Å; V420-F422 HydrophobicContact CG2-CD2 3.66Å; V420-F422 HydrophobicContact CG2-CE2 3.6Å; V420-F422 HydrophobicContact CG2-CG 4.39Å; V420-F422 HydrophobicContact CG2-CZ 4.27Å | ||
| 421 | K | 71.5 | Confident | 79.3 | Confident | 129 Ų | 129 | 49.5 Ų | 49.5 | 56% | 0.561 | 24% | 0.236 | S | C | * | . | trans | -100.3 | 24.2 | -170.9 | -67.3 | 179.5 | -178.2 | 171 | 0 | 115 | R423 T654 | K421-R423 VanDerWaalsContact C-N 3.31Å; K421-R423 PolarHBondContact O-N 3.02Å; K421-T654 PolarHBondContact O-OG1 3.47Å | ||
| 422 | F | 77.2 | Confident | 78.9 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 5% | 0.048 | 25% | 0.252 | C | S | . | . | trans | -64.1 | -32.7 | -177.4 | -52 | -33.4 | 0 | 0 | 0 | 113.7 | W375 C376 V420 S424 W648 | W375-F422 AromaticContact CD2-CE2 3.96Å; W375-F422 HydrophobicContact CD2-CE2 3.96Å; W375-F422 AromaticContact CE2-CE2 3.68Å; W375-F422 AromaticContact CE3-CE2 3.92Å; W375-F422 HydrophobicContact CE3-CE2 3.92Å; W375-F422 HydrophobicContact CE3-CZ 4.07Å; W375-F422 HydrophobicContact CH2-CE1 4.38Å; W375-F422 AromaticContact CH2-CE2 3.48Å; W375-F422 HydrophobicContact CH2-CE2 3.48Å; W375-F422 VanDerWaalsContact CH2-CE2 3.48Å; W375-F422 AromaticContact CH2-CZ 3.18Å; W375-F422 HydrophobicContact CH2-CZ 3.18Å; W375-F422 AromaticContact CZ2-CE2 3.45Å; W375-F422 HydrophobicContact CZ2-CE2 3.45Å; W375-F422 VanDerWaalsContact CZ2-CE2 3.45Å; W375-F422 AromaticContact CZ2-CZ 3.65Å; W375-F422 HydrophobicContact CZ2-CZ 3.65Å; W375-F422 HydrophobicContact CZ3-CE1 4.36Å; W375-F422 AromaticContact CZ3-CE2 3.68Å; W375-F422 HydrophobicContact CZ3-CE2 3.68Å; W375-F422 AromaticContact CZ3-CZ 3.39Å; W375-F422 HydrophobicContact CZ3-CZ 3.39Å; C376-F422 HydrophobicContact CB-CD1 4.25Å; C376-F422 HydrophobicContact CB-CD2 4.11Å; C376-F422 HydrophobicContact CB-CE1 4.3Å; C376-F422 HydrophobicContact CB-CE2 4.14Å; C376-F422 HydrophobicContact CB-CG 4.2Å; C376-F422 HydrophobicContact CB-CZ 4.26Å; C376-F422 WeakPolarHBondContact SG-CD1 3.39Å; V420-F422 HydrophobicContact CB-CD2 3.94Å; V420-F422 HydrophobicContact CB-CE1 4.26Å; V420-F422 HydrophobicContact CB-CE2 3.58Å; V420-F422 HydrophobicContact CB-CG 4.4Å; V420-F422 HydrophobicContact CB-CZ 3.73Å; V420-F422 HydrophobicContact CG1-CE2 3.86Å; V420-F422 HydrophobicContact CG1-CZ 3.84Å; V420-F422 HydrophobicContact CG2-CD2 3.66Å; V420-F422 HydrophobicContact CG2-CE2 3.6Å; V420-F422 HydrophobicContact CG2-CG 4.39Å; V420-F422 HydrophobicContact CG2-CZ 4.27Å; F422-S424 PolarHBondContact O-N 3.01Å; F422-W648 HydrophobicContact CE1-CZ3 4.4Å | ||
| 423 | R | 77.5 | Confident | 78.5 | Confident | 61 Ų | 61 | 54.8 Ų | 54.8 | 23% | 0.23 | 26% | 0.261 | C | S | . | . | trans | 53.3 | 53.3 | -179.2 | -63.7 | 173.6 | 161.5 | -172.9 | -7.1 | 111.7 | E415 K421 I425 K426 V427 A655 | E415-R423 WeakPolarHBondContact OE1-CA 3.21Å; E415-R423 PolarHBondContact OE1-N 2.85Å; E415-R423 VanDerWaalsContact OE1-N 3.12Å; K421-R423 VanDerWaalsContact C-N 3.31Å; K421-R423 PolarHBondContact O-N 3.02Å; R423-I425 PolarHBondContact O-N 3.38Å; R423-K426 HydrophobicContact CB-CB 4.33Å; R423-K426 HydrophobicContact CB-CD 4.24Å; R423-K426 HydrophobicContact CB-CG 4.18Å; R423-K426 VanDerWaalsContact NH1-NZ 3.14Å; R423-K426 WeakPolarHBondContact O-CA 3.06Å; R423-K426 WeakPolarHBondContact O-CB 3.1Å; R423-K426 PolarHBondContact O-N 3.24Å; R423-V427 PolarHBondContact O-N 3.18Å; R423-A655 HydrophobicContact CB-CB 4.2Å | ||
| 424 | S | 84.3 | Confident | 78.2 | Confident | 7 Ų | 7 | 54.1 Ų | 54.1 | 5% | 0.049 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54 | -23.1 | 177.8 | 70.4 | 0 | 0 | 0 | 0 | 112.9 | Y413 E415 F422 K428 R442 | Y413-S424 WeakPolarHBondContact O-CB 3.47Å; Y413-S424 PolarHBondContact O-OG 3.05Å; Y413-S424 VanDerWaalsContact O-OG 3.07Å; E415-S424 VanDerWaalsContact CD-OG 3.28Å; E415-S424 PolarHBondContact OE1-N 3.29Å; E415-S424 PolarHBondContact OE1-OG 3.33Å; E415-S424 WeakPolarHBondContact OE2-CB 3.26Å; E415-S424 PolarHBondContact OE2-OG 3.22Å; F422-S424 PolarHBondContact O-N 3.01Å; S424-K428 WeakPolarHBondContact O-CB 3.22Å; S424-K428 PolarHBondContact O-N 3.09Å; S424-R442 WeakPolarHBondContact OG-CD 3.23Å; S424-R442 PolarHBondContact OG-NH1 2.96Å |
| 425 | I | 83.3 | Confident | 78.3 | Confident | 32 Ų | 32 | 53.2 Ų | 53.2 | 16% | 0.164 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 171.9 | -172.1 | 56.8 | 0 | 0 | 0 | 112.5 | R423 K428 R429 | R423-I425 PolarHBondContact O-N 3.38Å; I425-K428 HydrophobicContact CD1-CD 4.4Å; I425-R429 WeakPolarHBondContact O-CG 3.44Å; I425-R429 PolarHBondContact O-N 2.58Å |
| 426 | K | 83.6 | Confident | 78.5 | Confident | 87 Ų | 87 | 56 Ų | 56 | 38% | 0.378 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.5 | -46.2 | 175.8 | -69.3 | -168.6 | 174.3 | -172.2 | 0 | 110.5 | R423 K428 R429 W430 A655 | R423-K426 HydrophobicContact CB-CB 4.33Å; R423-K426 HydrophobicContact CB-CD 4.24Å; R423-K426 HydrophobicContact CB-CG 4.18Å; R423-K426 VanDerWaalsContact NH1-NZ 3.14Å; R423-K426 WeakPolarHBondContact O-CA 3.06Å; R423-K426 WeakPolarHBondContact O-CB 3.1Å; R423-K426 PolarHBondContact O-N 3.24Å; K426-K428 VanDerWaalsContact C-N 3.28Å; K426-K428 PolarHBondContact O-N 3.45Å; K426-R429 PolarHBondContact O-N 3.37Å; K426-W430 WeakPolarHBondContact O-CB 3.32Å; K426-W430 PolarHBondContact O-N 3.28Å; K426-A655 HydrophobicContact CB-CB 4.37Å; K426-A655 HydrophobicContact CD-CB 4.15Å |
| 427 | V | 84.8 | Confident | 79.3 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53.9 | -47.4 | 173.4 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | M377 P379 L412 R423 R429 W430 L431 | M377-V427 WeakPolarHBondContact O-CG2 3Å; P379-V427 HydrophobicContact CG-CB 4.32Å; P379-V427 HydrophobicContact CG-CG1 3.68Å; P379-V427 HydrophobicContact CG-CG2 4.28Å; L412-V427 HydrophobicContact CD1-CB 4.1Å; L412-V427 HydrophobicContact CD1-CG1 3.58Å; R423-V427 PolarHBondContact O-N 3.18Å; V427-R429 PolarHBondContact O-N 3.34Å; V427-W430 PolarHBondContact O-N 2.86Å; V427-L431 HydrophobicContact CG1-CD1 3.98Å; V427-L431 PolarHBondContact O-N 3.06Å |
| 428 | K | 85.8 | Confident | 80.5 | Confident | 41 Ų | 41 | 49.5 Ų | 49.5 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.3 | -46.3 | 175.2 | 168.5 | 176.3 | 177.1 | -150.6 | 0 | 112.5 | S424 I425 K426 R432 I440 R442 | S424-K428 WeakPolarHBondContact O-CB 3.22Å; S424-K428 PolarHBondContact O-N 3.09Å; I425-K428 HydrophobicContact CD1-CD 4.4Å; K426-K428 VanDerWaalsContact C-N 3.28Å; K426-K428 PolarHBondContact O-N 3.45Å; K428-R432 VanDerWaalsContact O-CB 3.24Å; K428-R432 WeakPolarHBondContact O-CB 3.13Å; K428-R432 VanDerWaalsContact O-CG 3.22Å; K428-R432 WeakPolarHBondContact O-CG 3.34Å; K428-R432 PolarHBondContact O-N 3.36Å; K428-I440 HydrophobicContact CB-CB 4.43Å; K428-I440 HydrophobicContact CB-CG2 3.86Å; K428-I440 HydrophobicContact CD-CG2 4.3Å; K428-I440 WeakPolarHBondContact CE-O 3.47Å; K428-I440 HydrophobicContact CG-CB 3.99Å; K428-I440 HydrophobicContact CG-CG2 3.86Å; K428-R442 HydrophobicContact CD-CG 4.23Å |
| 429 | R | 83.4 | Confident | 81.9 | Confident | 178 Ų | 178 | 45.9 Ų | 45.9 | 67% | 0.672 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -64.7 | -47.2 | 180 | -77.2 | 175.5 | 175.5 | 165.2 | -0.7 | 110.6 | I425 K426 V427 R432 S433 | I425-R429 WeakPolarHBondContact O-CG 3.44Å; I425-R429 PolarHBondContact O-N 2.58Å; K426-R429 PolarHBondContact O-N 3.37Å; V427-R429 PolarHBondContact O-N 3.34Å; R429-R432 PolarHBondContact O-N 3.2Å; R429-S433 PolarHBondContact O-N 3.14Å; R429-S433 VanDerWaalsContact O-N 3.07Å |
| 430 | W | 81.9 | Confident | 83.2 | Confident | 43 Ų | 43 | 42.9 Ų | 42.9 | 16% | 0.163 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.1 | -62.4 | 177.2 | 180 | -88.9 | 0 | 0 | 0 | 111.6 | T380 D395 K426 V427 R432 S433 I621 E624 L625 L628 | T380-W430 HydrophobicContact CG2-CZ2 4.43Å; D395-W430 PolarHBondContact OD2-NE1 3.23Å; K426-W430 WeakPolarHBondContact O-CB 3.32Å; K426-W430 PolarHBondContact O-N 3.28Å; V427-W430 PolarHBondContact O-N 2.86Å; W430-R432 VanDerWaalsContact C-N 3.31Å; W430-R432 PolarHBondContact O-N 3.43Å; W430-S433 WeakPolarHBondContact O-CB 3.27Å; W430-S433 PolarHBondContact O-N 3.22Å; W430-S433 PolarHBondContact O-OG 2.68Å; W430-I621 HydrophobicContact CZ3-CG2 4.3Å; W430-E624 HydrophobicContact CH2-CB 4.43Å; W430-E624 WeakPolarHBondContact CZ3-OE2 3.33Å; W430-L625 HydrophobicContact CH2-CD2 3.91Å; W430-L625 HydrophobicContact CH2-CG 4.23Å; W430-L625 HydrophobicContact CZ2-CD2 3.47Å; W430-L625 VanDerWaalsContact CZ2-CD2 3.47Å; W430-L625 HydrophobicContact CZ2-CG 4.2Å; W430-L628 HydrophobicContact CH2-CD1 4.19Å; W430-L628 HydrophobicContact CZ2-CD1 4.17Å |
| 431 | L | 86 | Confident | 84.1 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.6 | -34.1 | -174.5 | -72.4 | 175 | 0 | 0 | 0 | 112.8 | M377 P379 D395 L398 I410 V427 S433 L434 I438 I440 | M377-L431 HydrophobicContact CE-CD1 4.08Å; M377-L431 HydrophobicContact SD-CD1 4.12Å; P379-L431 HydrophobicContact CB-CD2 3.94Å; P379-L431 HydrophobicContact CB-CG 4.21Å; P379-L431 HydrophobicContact CG-CD1 4.16Å; P379-L431 HydrophobicContact CG-CD2 4.28Å; P379-L431 HydrophobicContact CG-CG 3.99Å; D395-L431 HydrophobicContact CB-CD2 3.83Å; L398-L431 HydrophobicContact CD1-CD2 4.42Å; I410-L431 HydrophobicContact CD1-CD1 3.74Å; V427-L431 HydrophobicContact CG1-CD1 3.98Å; V427-L431 PolarHBondContact O-N 3.06Å; L431-S433 VanDerWaalsContact C-N 3.31Å; L431-S433 PolarHBondContact O-N 3.41Å; L431-L434 HydrophobicContact CD2-CD1 3.86Å; L431-L434 WeakPolarHBondContact O-CB 3.47Å; L431-L434 PolarHBondContact O-N 2.82Å; L431-I438 HydrophobicContact CB-CG2 4.21Å; L431-I438 WeakPolarHBondContact O-CD1 3.42Å; L431-I440 HydrophobicContact CB-CD1 3.34Å; L431-I440 HydrophobicContact CD1-CD1 3.75Å; L431-I440 HydrophobicContact CG-CD1 4.18Å |
| 432 | R | 85.7 | Confident | 84.9 | Confident | 86 Ų | 86 | 38.2 Ų | 38.2 | 33% | 0.325 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -68.3 | -28.4 | 174.6 | -78.1 | -178.1 | 58.3 | 148.5 | -6.4 | 113.5 | K428 R429 W430 L434 I440 | K428-R432 VanDerWaalsContact O-CB 3.24Å; K428-R432 WeakPolarHBondContact O-CB 3.13Å; K428-R432 VanDerWaalsContact O-CG 3.22Å; K428-R432 WeakPolarHBondContact O-CG 3.34Å; K428-R432 PolarHBondContact O-N 3.36Å; R429-R432 PolarHBondContact O-N 3.2Å; W430-R432 VanDerWaalsContact C-N 3.31Å; W430-R432 PolarHBondContact O-N 3.43Å; R432-L434 PolarHBondContact O-N 3.38Å; R432-I440 HydrophobicContact CG-CB 4.29Å; R432-I440 HydrophobicContact CG-CD1 4.31Å; R432-I440 HydrophobicContact CG-CG1 4.11Å |
| 433 | S | 83.7 | Confident | 85.1 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 22% | 0.217 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.9 | -23.4 | 177.5 | 75.1 | 0 | 0 | 0 | 0 | 112.4 | R429 W430 L431 I621 | R429-S433 PolarHBondContact O-N 3.14Å; R429-S433 VanDerWaalsContact O-N 3.07Å; W430-S433 WeakPolarHBondContact O-CB 3.27Å; W430-S433 PolarHBondContact O-N 3.22Å; W430-S433 PolarHBondContact O-OG 2.68Å; L431-S433 VanDerWaalsContact C-N 3.31Å; L431-S433 PolarHBondContact O-N 3.41Å; S433-I621 WeakPolarHBondContact OG-CD1 3.34Å |
| 434 | L | 84 | Confident | 84.9 | Confident | 17 Ų | 17 | 36.1 Ų | 36.1 | 9% | 0.089 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.4 | -42.5 | -175.8 | -57.8 | 176 | 0 | 0 | 0 | 112.5 | D395 H399 L431 R432 I438 L625 | D395-L434 HydrophobicContact CB-CD1 3.85Å; H399-L434 HydrophobicContact CB-CB 4.3Å; H399-L434 HydrophobicContact CB-CD1 4.34Å; H399-L434 PolarHBondContact CD2-O 3.13Å; H399-L434 PolarHBondContact NE2-O 2.64Å; L431-L434 HydrophobicContact CD2-CD1 3.86Å; L431-L434 WeakPolarHBondContact O-CB 3.47Å; L431-L434 PolarHBondContact O-N 2.82Å; R432-L434 PolarHBondContact O-N 3.38Å; L434-I438 HydrophobicContact CB-CD1 4.01Å; L434-L625 HydrophobicContact CD2-CD1 3.96Å |
| 435 | H | 84.3 | Confident | 84.1 | Confident | 31 Ų | 31 | 42.2 Ų | 42.2 | 14% | 0.144 | 19% | 0.188 | C | C | . | . | trans | -162.1 | 150.4 | -177.5 | -159.8 | -98.8 | 0 | 0 | 0 | 113.5 | A402 N437 I438 | A402-H435 HydrophobicContact CB-CB 3.75Å; A402-H435 PolarHBondContact O-CE1 3.46Å; A402-H435 PolarHBondContact O-ND1 3.18Å; H435-N437 VanDerWaalsContact C-N 3.25Å; H435-N437 PolarHBondContact CE1-ND2 2.86Å; H435-N437 WeakPolarHBondContact ND1-CB 3.27Å; H435-N437 PolarHBondContact ND1-N 2.99Å; H435-N437 VanDerWaalsContact ND1-N 3.13Å; H435-N437 PolarHBondContact O-N 2.83Å; H435-I438 HydrophobicContact CB-CD1 4.04Å; H435-I438 HydrophobicContact CB-CG1 4.23Å; H435-I438 PolarHBondContact O-N 3.41Å; H435-I438 VanDerWaalsContact O-N 3.13Å | ||
| 436 | S | 82.7 | Confident | 83 | Confident | 65 Ų | 65 | 41.8 Ų | 41.8 | 46% | 0.455 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.9 | 178.2 | 57.6 | 0 | 0 | 0 | 0 | 114.2 | I438 Y439 | S436-I438 PolarHBondContact O-N 2.78Å; S436-Y439 PolarHBondContact O-OH 3.33Å |
| 437 | N | 86.7 | Confident | 81.7 | Confident | 9 Ų | 9 | 44.1 Ų | 44.1 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 2.3 | 175.7 | -70.6 | -27.3 | 0 | 0 | 0 | 114.1 | A402 I408 H435 Y439 | A402-N437 HydrophobicContact CB-CB 4.13Å; A402-N437 PolarHBondContact O-ND2 2.81Å; I408-N437 PolarHBondContact N-O 2.8Å; H435-N437 VanDerWaalsContact C-N 3.25Å; H435-N437 PolarHBondContact CE1-ND2 2.86Å; H435-N437 WeakPolarHBondContact ND1-CB 3.27Å; H435-N437 PolarHBondContact ND1-N 2.99Å; H435-N437 VanDerWaalsContact ND1-N 3.13Å; H435-N437 PolarHBondContact O-N 2.83Å; N437-Y439 WeakPolarHBondContact O-CD2 3.3Å; N437-Y439 WeakPolarHBondContact O-CE2 3.46Å |
| 438 | I | 89.4 | Confident | 80.5 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 111.3 | 178.4 | -58.9 | 172 | 0 | 0 | 0 | 109.9 | A402 I408 L431 L434 H435 S436 I440 | A402-I438 HydrophobicContact CB-CD1 4.04Å; A402-I438 HydrophobicContact CB-CG1 3.8Å; I408-I438 HydrophobicContact CB-CB 4.5Å; I408-I438 HydrophobicContact CB-CG1 4.08Å; I408-I438 HydrophobicContact CB-CG2 4.46Å; I408-I438 HydrophobicContact CG1-CG1 4.11Å; L431-I438 HydrophobicContact CB-CG2 4.21Å; L431-I438 WeakPolarHBondContact O-CD1 3.42Å; L434-I438 HydrophobicContact CB-CD1 4.01Å; H435-I438 HydrophobicContact CB-CD1 4.04Å; H435-I438 HydrophobicContact CB-CG1 4.23Å; H435-I438 PolarHBondContact O-N 3.41Å; H435-I438 VanDerWaalsContact O-N 3.13Å; S436-I438 PolarHBondContact O-N 2.78Å; I438-I440 HydrophobicContact CG2-CD1 4.17Å; I438-I440 HydrophobicContact CG2-CG1 4.14Å |
| 439 | Y | 90 | Very high | 79.8 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 14% | 0.137 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.4 | -177.3 | -56 | -87.9 | 0 | 0 | 0 | 110.4 | I408 Y409 I410 S436 N437 V721 P722 | I408-Y439 PolarHBondContact O-N 2.83Å; Y409-Y439 CarbonylContact C-O 3.58Å; Y409-Y439 WeakPolarHBondContact CA-O 3.17Å; Y409-Y439 AromaticContact CD1-CD2 3.88Å; Y409-Y439 HydrophobicContact CD1-CD2 3.88Å; Y409-Y439 HydrophobicContact CD1-CG 4.11Å; Y409-Y439 AromaticContact CE1-CD2 3.58Å; Y409-Y439 HydrophobicContact CE1-CD2 3.58Å; Y409-Y439 HydrophobicContact CE1-CE2 4.18Å; Y409-Y439 HydrophobicContact CE1-CG 4.03Å; I410-Y439 PolarHBondContact N-O 2.86Å; S436-Y439 PolarHBondContact O-OH 3.33Å; N437-Y439 WeakPolarHBondContact O-CD2 3.3Å; N437-Y439 WeakPolarHBondContact O-CE2 3.46Å; Y439-V721 HydrophobicContact CD1-CG1 4.16Å; Y439-P722 VanDerWaalsContact CE1-CD 3.43Å; Y439-P722 HydrophobicContact CE1-CG 4.13Å; Y439-P722 HydrophobicContact CE2-CG 4.02Å |
| 440 | I | 91.5 | Very high | 79.8 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 125.3 | -177.1 | -52.2 | -172.1 | 0 | 0 | 0 | 110.9 | I410 L412 K428 L431 R432 I438 | I410-I440 HydrophobicContact CB-CD1 4.44Å; I410-I440 HydrophobicContact CB-CG1 4.03Å; I410-I440 HydrophobicContact CB-CG2 4.3Å; I410-I440 HydrophobicContact CD1-CD1 4.04Å; I410-I440 HydrophobicContact CD1-CG1 4.3Å; I410-I440 HydrophobicContact CG1-CG1 4.34Å; I410-I440 WeakPolarHBondContact O-CA 3.49Å; L412-I440 HydrophobicContact CD1-CG2 4.28Å; L412-I440 HydrophobicContact CG-CG2 4.49Å; K428-I440 HydrophobicContact CB-CB 4.43Å; K428-I440 HydrophobicContact CB-CG2 3.86Å; K428-I440 HydrophobicContact CD-CG2 4.3Å; K428-I440 WeakPolarHBondContact CE-O 3.47Å; K428-I440 HydrophobicContact CG-CB 3.99Å; K428-I440 HydrophobicContact CG-CG2 3.86Å; L431-I440 HydrophobicContact CB-CD1 3.34Å; L431-I440 HydrophobicContact CD1-CD1 3.75Å; L431-I440 HydrophobicContact CG-CD1 4.18Å; R432-I440 HydrophobicContact CG-CB 4.29Å; R432-I440 HydrophobicContact CG-CD1 4.31Å; R432-I440 HydrophobicContact CG-CG1 4.11Å; I438-I440 HydrophobicContact CG2-CD1 4.17Å; I438-I440 HydrophobicContact CG2-CG1 4.14Å |
| 441 | Y | 89.8 | Confident | 79.9 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 147.5 | 162.6 | -72.6 | -38.7 | 0 | 0 | 0 | 111 | I410 M411 L412 W697 I700 R701 K704 Q718 V721 | I410-Y441 PolarHBondContact O-N 3.35Å; M411-Y441 WeakPolarHBondContact CA-O 3.47Å; L412-Y441 PolarHBondContact N-O 2.8Å; Y441-W697 AromaticContact CD2-CD2 3.82Å; Y441-W697 HydrophobicContact CD2-CD2 3.82Å; Y441-W697 AromaticContact CD2-CE2 3.93Å; Y441-W697 AromaticContact CD2-CE3 3.62Å; Y441-W697 HydrophobicContact CD2-CE3 3.62Å; Y441-W697 AromaticContact CD2-CH2 3.61Å; Y441-W697 HydrophobicContact CD2-CH2 3.61Å; Y441-W697 AromaticContact CD2-CZ2 3.83Å; Y441-W697 HydrophobicContact CD2-CZ2 3.83Å; Y441-W697 AromaticContact CD2-CZ3 3.51Å; Y441-W697 HydrophobicContact CD2-CZ3 3.51Å; Y441-W697 AromaticContact CE2-CD2 3.94Å; Y441-W697 HydrophobicContact CE2-CD2 3.94Å; Y441-W697 AromaticContact CE2-CE2 3.63Å; Y441-W697 HydrophobicContact CE2-CE3 4.19Å; Y441-W697 AromaticContact CE2-CH2 3.87Å; Y441-W697 HydrophobicContact CE2-CH2 3.87Å; Y441-W697 AromaticContact CE2-CZ2 3.6Å; Y441-W697 HydrophobicContact CE2-CZ2 3.6Å; Y441-W697 HydrophobicContact CE2-CZ3 4.16Å; Y441-W697 HydrophobicContact CG-CH2 4.22Å; Y441-W697 HydrophobicContact CG-CZ3 4.12Å; Y441-I700 HydrophobicContact CD1-CG2 4.13Å; Y441-I700 HydrophobicContact CD2-CB 4.18Å; Y441-I700 HydrophobicContact CD2-CG2 3.64Å; Y441-I700 HydrophobicContact CE1-CG2 4.44Å; Y441-I700 HydrophobicContact CE2-CB 4.48Å; Y441-I700 HydrophobicContact CE2-CG2 4.02Å; Y441-I700 HydrophobicContact CG-CG2 3.69Å; Y441-R701 HydrophobicContact CE2-CB 4.01Å; Y441-K704 HydrophobicContact CD1-CD 4.15Å; Y441-K704 HydrophobicContact CE1-CD 3.65Å; Y441-Q718 PolarHBondContact OH-OE1 2.94Å; Y441-V721 HydrophobicContact CE2-CG1 4.27Å; Y441-V721 WeakPolarHBondContact OH-CG1 3.4Å |
| 442 | R | 87.1 | Confident | 80.1 | Confident | 48 Ų | 48 | 46 Ų | 46 | 18% | 0.181 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 146.2 | 159 | -54.8 | -166.6 | -71.5 | 166.9 | -4.6 | 107.4 | L412 K414 S424 K428 | L412-R442 CarbonylContact O-C 3.59Å; L412-R442 VanDerWaalsContact O-CA 3.22Å; L412-R442 WeakPolarHBondContact O-CA 3.45Å; K414-R442 HydrophobicContact CB-CB 3.83Å; K414-R442 HydrophobicContact CG-CB 4.25Å; S424-R442 WeakPolarHBondContact OG-CD 3.23Å; S424-R442 PolarHBondContact OG-NH1 2.96Å; K428-R442 HydrophobicContact CD-CG 4.23Å |
| 443 | S | 80.8 | Confident | 80.4 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -55.5 | 155.6 | -178.1 | 68.2 | 0 | 0 | 0 | 0 | 111.3 | L412 K414 | L412-S443 PolarHBondContact O-N 2.86Å; K414-S443 VanDerWaalsContact CB-O 3.27Å; K414-S443 WeakPolarHBondContact CB-O 3.4Å; K414-S443 PolarHBondContact N-OG 2.93Å |
| 444 | P | 74.5 | Confident | 81 | Confident | 26 Ų | 26 | 41.1 Ų | 41.1 | 17% | 0.169 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -55.2 | 141.3 | 170.7 | -22.1 | 33.2 | 0 | 0 | 0 | 110.5 | S446 I700 | P444-S446 PolarHBondContact O-N 2.86Å; P444-I700 HydrophobicContact CG-CD1 4.38Å; P444-I700 HydrophobicContact CG-CG1 3.96Å |
| 445 | R | 67.1 | Low | 81.6 | Confident | 136 Ų | 136 | 40.5 Ų | 40.5 | 51% | 0.513 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 123.7 | 169.2 | -103.5 | -177.6 | 175.2 | 138.6 | 1.5 | 108.4 | K414 | K414-R445 HydrophobicContact CD-CG 3.91Å; K414-R445 VanDerWaalsContact CE-CZ 3.45Å; K414-R445 HydrophobicContact CG-CG 4.39Å |
| 446 | S | 59.9 | Low | 82.2 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 15% | 0.154 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -65.5 | 142.9 | 163.4 | 178 | 0 | 0 | 0 | 0 | 108.9 | P444 R448 W450 | P444-S446 PolarHBondContact O-N 2.86Å; S446-R448 PolarHBondContact OG-N 3.47Å; S446-R448 VanDerWaalsContact OG-N 3.08Å; S446-W450 PolarHBondContact OG-N 2.94Å |
| 447 | T | 57 | Low | 83 | Confident | 136 Ų | 136 | 36.1 Ų | 36.1 | 83% | 0.834 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -76.1 | -10.2 | 169.8 | 51.5 | 0 | 0 | 0 | 0 | 112.2 | ||
| 448 | R | 59.5 | Low | 83.6 | Confident | 174 Ų | 174 | 35.8 Ų | 35.8 | 66% | 0.657 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -136.7 | 46.5 | -169.3 | -66.9 | -175.8 | -178.1 | 178.6 | -1.7 | 112.5 | S446 W450 | S446-R448 PolarHBondContact OG-N 3.47Å; S446-R448 VanDerWaalsContact OG-N 3.08Å; R448-W450 HydrophobicContact CB-CZ2 4.07Å; R448-W450 PolarHBondContact O-N 2.93Å |
| 449 | L | 70.9 | Confident | 83.9 | Confident | 116 Ų | 116 | 35.5 Ų | 35.5 | 61% | 0.607 | 17% | 0.166 | S | C | * | . | S | Bend | trans | 63.5 | -2 | 169 | -61.2 | 160.7 | 0 | 0 | 0 | 117.5 | I1168 | L449-I1168 HydrophobicContact CB-CD1 3.78Å; L449-I1168 HydrophobicContact CD1-CD1 3.24Å; L449-I1168 HydrophobicContact CG-CD1 4.06Å |
| 450 | W | 82.9 | Confident | 84.1 | Confident | 20 Ų | 20 | 33.9 Ų | 33.9 | 8% | 0.076 | 16% | 0.16 | C | C | . | . | trans | -64.1 | 152.7 | 176.9 | -43 | 136 | 0 | 0 | 0 | 114.9 | S446 R448 W762 R1001 R1007 D1008 V1167 | S446-W450 PolarHBondContact OG-N 2.94Å; R448-W450 HydrophobicContact CB-CZ2 4.07Å; R448-W450 PolarHBondContact O-N 2.93Å; W450-W762 HydrophobicContact CB-CH2 4.47Å; W450-W762 HydrophobicContact CB-CZ2 3.63Å; W450-W762 AromaticContact CD1-CD1 3.83Å; W450-W762 AromaticContact CD1-NE1 3.51Å; W450-W762 AromaticContact CG-NE1 4Å; W450-R1001 HydrophobicContact CE3-CG 4.3Å; W450-R1001 HydrophobicContact CZ3-CG 4.08Å; W450-R1007 HydrophobicContact CD2-CB 3.72Å; W450-R1007 HydrophobicContact CD2-CG 3.92Å; W450-R1007 HydrophobicContact CE3-CB 3.71Å; W450-R1007 HydrophobicContact CE3-CG 3.88Å; W450-R1007 HydrophobicContact CG-CB 4.21Å; W450-R1007 HydrophobicContact CH2-CB 4.46Å; W450-R1007 HydrophobicContact CH2-CG 3.71Å; W450-R1007 HydrophobicContact CZ2-CB 4.45Å; W450-R1007 HydrophobicContact CZ2-CG 3.7Å; W450-R1007 HydrophobicContact CZ3-CB 4.1Å; W450-R1007 HydrophobicContact CZ3-CG 3.79Å; W450-D1008 WeakPolarHBondContact CA-OD1 3.35Å; W450-V1167 HydrophobicContact CH2-CG1 4Å; W450-V1167 HydrophobicContact CH2-CG2 3.95Å | ||
| 451 | S | 84.7 | Confident | 84.2 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | trans | -110.8 | 153.5 | -173.7 | 90.9 | 0 | 0 | 0 | 0 | 114.2 | Y413 W762 D1008 S1009 | Y413-S451 VanDerWaalsContact CE2-CA 3.48Å; S451-W762 WeakPolarHBondContact O-CH2 3.47Å; S451-W762 WeakPolarHBondContact O-CZ2 3.36Å; S451-D1008 PolarHBondContact N-OD1 3.29Å; S451-D1008 WeakPolarHBondContact O-CA 3.26Å; S451-D1008 VanDerWaalsContact OG-CG 3.22Å; S451-D1008 PolarHBondContact OG-OD2 3.33Å; S451-S1009 PolarHBondContact O-N 3.15Å | ||
| 452 | H | 89.9 | Confident | 84.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -88 | 107.2 | 165.3 | 165.2 | 83.6 | 0 | 0 | 0 | 107 | D374 W375 M411 Y413 E454 R696 S1009 | D374-H452 PolarHBondContact O-CD2 3.34Å; W375-H452 VanDerWaalsContact CD1-O 3.32Å; M411-H452 PolarHBondContact O-NE2 2.72Å; Y413-H452 HydrophobicContact CD2-CB 3.93Å; Y413-H452 VanDerWaalsContact CD2-N 3.31Å; Y413-H452 HydrophobicContact CG-CB 4.44Å; H452-E454 IonicContact CE1-OE2 3.86Å; H452-E454 PolarHBondContact CE1-OE2 3.48Å; H452-E454 IonicContact ND1-OE2 3.6Å; H452-R696 PolarHBondContact CE1-NH1 3.46Å; H452-R696 VanDerWaalsContact CE1-NH1 3.34Å; H452-R696 PolarHBondContact ND1-NH1 2.92Å; H452-S1009 WeakPolarHBondContact CA-OG 3.25Å |
| 453 | H | 92.9 | Very high | 84.9 | Confident | 14 Ų | 14 | 31.3 Ų | 31.3 | 7% | 0.065 | 15% | 0.15 | C | C | . | . | trans | -114.1 | 12.9 | -169.8 | -153.4 | -100.8 | 0 | 0 | 0 | 113.4 | W375 K455 S995 D1008 S1009 E1010 | W375-H453 AromaticContact CD1-CD2 3.64Å; W375-H453 AromaticContact CG-CD2 3.83Å; W375-H453 AromaticContact NE1-CD2 3.96Å; H453-K455 PolarHBondContact CD2-NZ 2.88Å; H453-K455 PolarHBondContact CE1-NZ 3.46Å; H453-K455 PolarHBondContact ND1-NZ 3.47Å; H453-K455 VanDerWaalsContact ND1-NZ 3.17Å; H453-K455 PolarHBondContact NE2-NZ 3.26Å; H453-K455 PolarHBondContact O-NZ 3.48Å; H453-S995 PolarHBondContact ND1-O 2.8Å; H453-S995 WeakPolarHBondContact O-CB 3.24Å; H453-S995 PolarHBondContact O-OG 3.12Å; H453-D1008 HydrophobicContact CB-CB 4.47Å; H453-S1009 CarbonylContact C-O 3.54Å; H453-S1009 WeakPolarHBondContact CA-O 3.49Å; H453-S1009 WeakPolarHBondContact CB-O 2.78Å; H453-S1009 PolarHBondContact N-O 3.49Å; H453-E1010 IonicContact CG-OE1 2.69Å; H453-E1010 IonicContact CG-OE2 3.47Å; H453-E1010 IonicContact ND1-OE1 3.98Å; H453-E1010 IonicContact ND1-OE2 2.78Å; H453-E1010 PolarHBondContact ND1-OE2 3.34Å | ||
| 454 | E | 95.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -77.7 | 133.4 | 179.9 | -56.1 | 173.3 | -174.9 | 0 | 0 | 111.2 | T373 D374 H452 H692 R696 S1009 L1011 | T373-E454 CarbonylContact C-O 3.53Å; T373-E454 VanDerWaalsContact C-O 3.31Å; T373-E454 VanDerWaalsContact OG1-C 3.22Å; T373-E454 WeakPolarHBondContact OG1-CB 3.47Å; T373-E454 PolarHBondContact OG1-O 3.47Å; D374-E454 WeakPolarHBondContact CA-O 3.43Å; D374-E454 PolarHBondContact N-O 3.25Å; H452-E454 IonicContact CE1-OE2 3.86Å; H452-E454 PolarHBondContact CE1-OE2 3.48Å; H452-E454 IonicContact ND1-OE2 3.6Å; E454-H692 VanDerWaalsContact CD-NE2 3.28Å; E454-H692 IonicContact OE1-CE1 3.94Å; E454-H692 PolarHBondContact OE1-CE1 3.41Å; E454-H692 IonicContact OE1-NE2 2.64Å; E454-H692 PolarHBondContact OE1-NE2 2.99Å; E454-H692 VanDerWaalsContact OE1-NE2 3.1Å; E454-H692 IonicContact OE2-CD2 2.76Å; E454-H692 IonicContact OE2-NE2 3.64Å; E454-H692 PolarHBondContact OE2-NE2 2.98Å; E454-H692 VanDerWaalsContact OE2-NE2 3.12Å; E454-R696 IonicContact OE1-CZ 3.07Å; E454-R696 IonicContact OE1-NH1 3.43Å; E454-R696 PolarHBondContact OE1-NH1 3.41Å; E454-R696 IonicContact OE2-CZ 2.83Å; E454-R696 IonicContact OE2-NH1 2.72Å; E454-R696 PolarHBondContact OE2-NH1 2.91Å; E454-S1009 WeakPolarHBondContact CG-O 3.41Å; E454-S1009 PolarHBondContact N-O 3.09Å; E454-S1009 WeakPolarHBondContact OE1-CB 3.38Å; E454-S1009 PolarHBondContact OE1-OG 3.43Å; E454-L1011 HydrophobicContact CB-CD1 4.03Å; E454-L1011 HydrophobicContact CB-CG 4.14Å; E454-L1011 HydrophobicContact CG-CD1 4.2Å; E454-L1011 HydrophobicContact CG-CG 3.85Å | ||
| 455 | K | 96.8 | Very high | 86.8 | Confident | 3 Ų | 3 | 30 Ų | 30 | 1% | 0.013 | 14% | 0.141 | C | C | . | . | trans | -129.4 | 108.2 | 179.9 | -61.7 | 152.4 | -174.3 | 60.4 | 0 | 108.9 | T373 H453 G468 D470 | T373-K455 WeakPolarHBondContact O-CA 3.49Å; H453-K455 PolarHBondContact CD2-NZ 2.88Å; H453-K455 PolarHBondContact CE1-NZ 3.46Å; H453-K455 PolarHBondContact ND1-NZ 3.47Å; H453-K455 VanDerWaalsContact ND1-NZ 3.17Å; H453-K455 PolarHBondContact NE2-NZ 3.26Å; H453-K455 PolarHBondContact O-NZ 3.48Å; K455-G468 WeakPolarHBondContact CD-O 3.05Å; K455-D470 VanDerWaalsContact CE-CG 3.41Å; K455-D470 VanDerWaalsContact CE-OD1 3.25Å; K455-D470 WeakPolarHBondContact CE-OD1 3.31Å; K455-D470 WeakPolarHBondContact CE-OD2 3.34Å | ||
| 456 | M | 97.8 | Very high | 88.3 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.015 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 153.1 | -177.6 | 69 | 111.1 | 117 | 0 | 0 | 112.4 | I372 T373 A458 F465 I689 F693 L1011 | I372-M456 WeakPolarHBondContact CA-O 3.45Å; T373-M456 HydrophobicContact CG2-CE 4.27Å; T373-M456 HydrophobicContact CG2-CG 3.83Å; T373-M456 HydrophobicContact CG2-SD 4.34Å; T373-M456 PolarHBondContact N-O 2.48Å; T373-M456 PolarHBondContact O-N 2.93Å; T373-M456 WeakPolarHBondContact OG1-CG 3.24Å; T373-M456 PolarHBondContact OG1-N 2.84Å; M456-A458 HydrophobicContact SD-CB 4.27Å; M456-F465 CarbonylContact C-O 3.49Å; M456-F465 WeakPolarHBondContact CA-O 3.49Å; M456-F465 WeakPolarHBondContact CB-O 3.34Å; M456-I689 HydrophobicContact CE-CG2 3.52Å; M456-I689 HydrophobicContact SD-CG2 4.28Å; M456-F693 HydrophobicContact CE-CB 3.66Å; M456-F693 HydrophobicContact CE-CD2 4.06Å; M456-F693 HydrophobicContact CE-CG 4.3Å; M456-F693 HydrophobicContact SD-CD2 4.45Å; M456-L1011 HydrophobicContact CE-CD1 4.17Å; M456-L1011 HydrophobicContact CG-CD1 4.22Å |
| 457 | V | 98.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.012 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 118.2 | 166.9 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | V359 I363 V370 F371 I372 V459 V464 F465 L471 | V359-V457 HydrophobicContact CG1-CG1 4.4Å; V359-V457 HydrophobicContact CG1-CG2 4.18Å; I363-V457 HydrophobicContact CD1-CG1 4.33Å; I363-V457 HydrophobicContact CG1-CG1 4.34Å; V370-V457 HydrophobicContact CG1-CG1 4.04Å; F371-V457 CarbonylContact O-C 3.47Å; F371-V457 VanDerWaalsContact O-CA 3.29Å; F371-V457 WeakPolarHBondContact O-CA 3.42Å; I372-V457 HydrophobicContact CG1-CG1 4.31Å; I372-V457 HydrophobicContact CG1-CG2 4.31Å; V457-V459 HydrophobicContact CG1-CG2 4.32Å; V457-V464 CarbonylContact O-C 3.49Å; V457-V464 WeakPolarHBondContact O-CA 3.44Å; V457-F465 HydrophobicContact CB-CB 4.17Å; V457-F465 HydrophobicContact CB-CD2 4.18Å; V457-F465 HydrophobicContact CG1-CD2 4.49Å; V457-F465 PolarHBondContact N-O 3.07Å; V457-F465 PolarHBondContact O-N 3.27Å; V457-L471 HydrophobicContact CG2-CD1 3.88Å |
| 458 | A | 98.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.008 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 129.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | V370 F371 M456 I463 V464 | V370-A458 CarbonylContact C-O 3.36Å; V370-A458 WeakPolarHBondContact CA-O 3.35Å; F371-A458 HydrophobicContact CB-CB 4.04Å; F371-A458 HydrophobicContact CD2-CB 4.21Å; F371-A458 HydrophobicContact CG-CB 4.47Å; F371-A458 PolarHBondContact N-O 3.49Å; F371-A458 PolarHBondContact O-N 2.93Å; M456-A458 HydrophobicContact SD-CB 4.27Å; A458-I463 CarbonylContact C-O 3.49Å; A458-I463 WeakPolarHBondContact CA-O 3.41Å; A458-V464 HydrophobicContact CB-CG2 3.69Å |
| 459 | V | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 125.5 | 174.9 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | A362 I363 A366 V370 V457 Q461 S462 I463 W733 | A362-V459 HydrophobicContact CB-CG2 4.15Å; I363-V459 HydrophobicContact CG1-CG2 4.3Å; A366-V459 HydrophobicContact CB-CG1 3.39Å; V370-V459 HydrophobicContact CG1-CG2 4.44Å; V370-V459 HydrophobicContact CG2-CG2 4.37Å; V457-V459 HydrophobicContact CG1-CG2 4.32Å; V459-Q461 PolarHBondContact O-N 3.47Å; V459-S462 PolarHBondContact O-N 3.12Å; V459-I463 HydrophobicContact CB-CG2 3.61Å; V459-I463 HydrophobicContact CG1-CG2 4.49Å; V459-I463 HydrophobicContact CG2-CG2 4.38Å; V459-I463 PolarHBondContact N-O 2.72Å; V459-I463 PolarHBondContact O-N 2.73Å; V459-W733 HydrophobicContact CB-CZ2 4.19Å; V459-W733 HydrophobicContact CG1-CH2 4.43Å; V459-W733 HydrophobicContact CG1-CZ2 3.56Å |
| 460 | D | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 1% | 0.011 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 26.9 | -179.9 | -55.8 | -40.7 | 0 | 0 | 0 | 114.3 | Q367 H368 E369 S462 W733 | Q367-D460 PolarHBondContact N-OD1 3.23Å; Q367-D460 PolarHBondContact N-OD2 3.12Å; H368-D460 WeakPolarHBondContact CA-OD1 3.34Å; H368-D460 WeakPolarHBondContact CB-OD1 3.43Å; H368-D460 PolarHBondContact N-OD1 3.13Å; E369-D460 PolarHBondContact N-OD1 2.88Å; E369-D460 PolarHBondContact O-N 3.46Å; D460-S462 PolarHBondContact O-N 2.68Å; D460-S462 PolarHBondContact O-OG 3.41Å; D460-W733 PolarHBondContact OD2-NE1 3.32Å |
| 461 | Q | 93.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 1.5 Ų | 1.5 | 1% | 0.009 | 1% | 0.008 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 16.8 | -172 | -48.4 | -174.2 | 36.6 | 0 | 0 | 114.7 | E369 F371 V459 S690 I694 L725 S727 | E369-Q461 WeakPolarHBondContact OE1-CG 3.46Å; E369-Q461 PolarHBondContact OE1-NE2 2.87Å; F371-Q461 HydrophobicContact CE2-CG 3.64Å; F371-Q461 HydrophobicContact CZ-CG 3.95Å; V459-Q461 PolarHBondContact O-N 3.47Å; Q461-S690 WeakPolarHBondContact CA-OG 3.36Å; Q461-I694 VanDerWaalsContact OE1-CD1 3.22Å; Q461-L725 PolarHBondContact NE2-O 3.35Å; Q461-S727 WeakPolarHBondContact CB-OG 3.25Å; Q461-S727 WeakPolarHBondContact CG-OG 3.42Å; Q461-S727 PolarHBondContact NE2-OG 3.09Å; Q461-S727 PolarHBondContact OE1-OG 3.23Å |
| 462 | S | 92.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.008 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -36.7 | -168.7 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | V459 D460 V682 G683 A686 P729 C730 | V459-S462 PolarHBondContact O-N 3.12Å; D460-S462 PolarHBondContact O-N 2.68Å; D460-S462 PolarHBondContact O-OG 3.41Å; S462-V682 WeakPolarHBondContact O-CA 3.34Å; S462-V682 WeakPolarHBondContact O-CG2 3.49Å; S462-G683 PolarHBondContact O-N 2.93Å; S462-A686 VanDerWaalsContact O-CB 3.3Å; S462-A686 WeakPolarHBondContact O-CB 3.46Å; S462-P729 WeakPolarHBondContact OG-CA 3.35Å; S462-C730 PolarHBondContact OG-N 2.92Å; S462-C730 PolarHBondContact OG-SG 3.44Å |
| 463 | I | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 1.9 Ų | 1.9 | 0% | 0 | 1% | 0.009 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 137.7 | 177.2 | -172.4 | 170.9 | 0 | 0 | 0 | 109.3 | A458 V459 F465 V680 F681 W733 L738 I741 | A458-I463 CarbonylContact C-O 3.49Å; A458-I463 WeakPolarHBondContact CA-O 3.41Å; V459-I463 HydrophobicContact CB-CG2 3.61Å; V459-I463 HydrophobicContact CG1-CG2 4.49Å; V459-I463 HydrophobicContact CG2-CG2 4.38Å; V459-I463 PolarHBondContact N-O 2.72Å; V459-I463 PolarHBondContact O-N 2.73Å; I463-F465 HydrophobicContact CD1-CE2 4.41Å; I463-F465 HydrophobicContact CG1-CE2 4.42Å; I463-V680 HydrophobicContact CD1-CG2 3.61Å; I463-V680 HydrophobicContact CG1-CG2 3.52Å; I463-F681 WeakPolarHBondContact CA-O 3.42Å; I463-W733 HydrophobicContact CB-CD2 4.17Å; I463-W733 HydrophobicContact CB-CE3 3.98Å; I463-W733 HydrophobicContact CB-CZ3 4.45Å; I463-W733 HydrophobicContact CD1-CE3 3.8Å; I463-W733 HydrophobicContact CD1-CZ3 3.75Å; I463-W733 HydrophobicContact CG2-CD2 3.71Å; I463-W733 HydrophobicContact CG2-CE3 3.69Å; I463-W733 HydrophobicContact CG2-CG 4.4Å; I463-W733 HydrophobicContact CG2-CH2 4.02Å; I463-W733 HydrophobicContact CG2-CZ2 4.04Å; I463-W733 HydrophobicContact CG2-CZ3 3.85Å; I463-L738 HydrophobicContact CD1-CD2 3.64Å; I463-L738 HydrophobicContact CG1-CD2 4.2Å; I463-I741 HydrophobicContact CD1-CD1 3.41Å; I463-I741 VanDerWaalsContact CD1-CD1 3.41Å; I463-I741 HydrophobicContact CD1-CG1 4.32Å |
| 464 | V | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 1.2 Ų | 1.2 | 0% | 0 | 1% | 0.007 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 131.5 | -177.7 | 165.6 | 0 | 0 | 0 | 0 | 109.8 | V457 A458 L466 V680 F681 A686 I689 | V457-V464 CarbonylContact O-C 3.49Å; V457-V464 WeakPolarHBondContact O-CA 3.44Å; A458-V464 HydrophobicContact CB-CG2 3.69Å; V464-L466 HydrophobicContact CG1-CB 4.25Å; V464-V680 CarbonylContact O-C 3.55Å; V464-V680 VanDerWaalsContact O-CA 3.3Å; V464-V680 WeakPolarHBondContact O-CA 3.42Å; V464-F681 HydrophobicContact CB-CE1 4.41Å; V464-F681 HydrophobicContact CB-CE2 4.12Å; V464-F681 HydrophobicContact CB-CZ 4.02Å; V464-F681 HydrophobicContact CG1-CE1 4Å; V464-F681 HydrophobicContact CG1-CE2 4.26Å; V464-F681 HydrophobicContact CG1-CZ 3.68Å; V464-F681 PolarHBondContact N-O 2.91Å; V464-F681 PolarHBondContact O-N 3.26Å; V464-A686 HydrophobicContact CB-CB 3.99Å; V464-A686 HydrophobicContact CG2-CB 3.72Å; V464-A686 WeakPolarHBondContact CG2-O 3.43Å; V464-I689 HydrophobicContact CG1-CB 4.06Å; V464-I689 HydrophobicContact CG1-CG1 4.31Å; V464-I689 HydrophobicContact CG1-CG2 3.74Å; V464-I689 HydrophobicContact CG2-CB 4.19Å; V464-I689 HydrophobicContact CG2-CG2 4.28Å |
| 465 | F | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 1.4 Ų | 1.4 | 0% | 0 | 1% | 0.007 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 133.3 | 164.3 | -60.7 | -99.3 | 0 | 0 | 0 | 108.6 | F349 Y355 A358 V359 A362 M456 V457 I463 C679 V680 I741 | F349-F465 HydrophobicContact CE2-CD1 4.45Å; F349-F465 HydrophobicContact CE2-CE1 4.42Å; Y355-F465 HydrophobicContact CD2-CD1 4.4Å; Y355-F465 HydrophobicContact CE2-CB 3.85Å; Y355-F465 HydrophobicContact CE2-CD1 4.07Å; Y355-F465 HydrophobicContact CE2-CG 4.46Å; Y355-F465 WeakPolarHBondContact OH-CB 3.42Å; A358-F465 VanDerWaalsContact C-CZ 3.47Å; A358-F465 HydrophobicContact CB-CE1 3.63Å; A358-F465 HydrophobicContact CB-CZ 4.19Å; A358-F465 WeakPolarHBondContact O-CZ 3.35Å; V359-F465 HydrophobicContact CB-CE1 4.49Å; V359-F465 HydrophobicContact CG2-CB 4.14Å; V359-F465 HydrophobicContact CG2-CD1 3.46Å; V359-F465 VanDerWaalsContact CG2-CD1 3.46Å; V359-F465 HydrophobicContact CG2-CD2 4.09Å; V359-F465 HydrophobicContact CG2-CE1 3.81Å; V359-F465 HydrophobicContact CG2-CE2 4.41Å; V359-F465 HydrophobicContact CG2-CG 3.62Å; V359-F465 HydrophobicContact CG2-CZ 4.27Å; A362-F465 HydrophobicContact CB-CE2 3.39Å; A362-F465 HydrophobicContact CB-CZ 3.57Å; M456-F465 CarbonylContact C-O 3.49Å; M456-F465 WeakPolarHBondContact CA-O 3.49Å; M456-F465 WeakPolarHBondContact CB-O 3.34Å; V457-F465 HydrophobicContact CB-CB 4.17Å; V457-F465 HydrophobicContact CB-CD2 4.18Å; V457-F465 HydrophobicContact CG1-CD2 4.49Å; V457-F465 PolarHBondContact N-O 3.07Å; V457-F465 PolarHBondContact O-N 3.27Å; I463-F465 HydrophobicContact CD1-CE2 4.41Å; I463-F465 HydrophobicContact CG1-CE2 4.42Å; F465-C679 VanDerWaalsContact CA-O 3.27Å; F465-C679 WeakPolarHBondContact CA-O 3.29Å; F465-V680 HydrophobicContact CD1-CB 3.66Å; F465-V680 HydrophobicContact CD1-CG2 3.79Å; F465-V680 HydrophobicContact CD2-CG2 4.12Å; F465-V680 HydrophobicContact CE1-CB 3.62Å; F465-V680 HydrophobicContact CE1-CG1 4.33Å; F465-V680 HydrophobicContact CE1-CG2 3.53Å; F465-V680 HydrophobicContact CE2-CG2 3.87Å; F465-V680 HydrophobicContact CG-CB 4.28Å; F465-V680 HydrophobicContact CG-CG2 4.07Å; F465-V680 HydrophobicContact CZ-CB 4.2Å; F465-V680 HydrophobicContact CZ-CG2 3.57Å; F465-I741 HydrophobicContact CE1-CD1 4.27Å; F465-I741 HydrophobicContact CZ-CD1 3.7Å |
| 466 | L | 98.3 | Very high | 95 | Very high | 1 Ų | 1 | 2.3 Ų | 2.3 | 1% | 0.005 | 1% | 0.01 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 146.1 | -177 | -177 | 148.1 | 0 | 0 | 0 | 109.8 | V464 G678 C679 F681 I689 L1011 I1013 | V464-L466 HydrophobicContact CG1-CB 4.25Å; L466-G678 WeakPolarHBondContact O-CA 3.37Å; L466-C679 PolarHBondContact N-O 3.45Å; L466-C679 PolarHBondContact O-N 3.46Å; L466-C679 PolarHBondContact O-SG 3.49Å; L466-F681 HydrophobicContact CB-CE1 4.11Å; L466-I689 HydrophobicContact CD1-CD1 3.75Å; L466-I689 HydrophobicContact CD1-CG1 4.18Å; L466-I689 HydrophobicContact CD1-CG2 4.44Å; L466-L1011 HydrophobicContact CD1-CB 4.08Å; L466-I1013 HydrophobicContact CD1-CG2 4.18Å; L466-I1013 HydrophobicContact CD2-CG1 4.36Å; L466-I1013 HydrophobicContact CD2-CG2 4.38Å |
| 467 | G | 91.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.01 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162 | -160.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I469 G994 | G467-I469 VanDerWaalsContact C-N 3.32Å; G467-G994 CarbonylContact C-O 3.53Å |
| 468 | G | 80.4 | Confident | 94.7 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.017 | C | C | . | . | S | Bend | trans | -86.6 | 6.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | K455 R475 V677 H980 G994 | K455-G468 WeakPolarHBondContact CD-O 3.05Å; G468-R475 PolarHBondContact O-NH2 2.85Å; G468-V677 PolarHBondContact N-O 3.13Å; G468-H980 PolarHBondContact O-CE1 3.23Å; G468-H980 PolarHBondContact O-ND1 3.49Å; G468-H980 VanDerWaalsContact O-ND1 3.08Å; G468-G994 PolarHBondContact N-O 3.35Å |
| 469 | I | 94.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 5.3 Ų | 5.3 | 1% | 0.01 | 3% | 0.027 | C | C | . | . | trans | -93.5 | 114.2 | -166.9 | -47 | -171.8 | 0 | 0 | 0 | 111.5 | Y355 M356 G467 D676 | Y355-I469 HydrophobicContact CD1-CB 4.23Å; Y355-I469 HydrophobicContact CD1-CD1 4.09Å; Y355-I469 HydrophobicContact CD1-CG2 4.08Å; Y355-I469 HydrophobicContact CD2-CD1 4.09Å; Y355-I469 HydrophobicContact CE1-CB 4.08Å; Y355-I469 HydrophobicContact CE1-CG2 4.22Å; Y355-I469 HydrophobicContact CG-CD1 3.79Å; M356-I469 HydrophobicContact CE-CG2 4.45Å; G467-I469 VanDerWaalsContact C-N 3.32Å; I469-D676 HydrophobicContact CD1-CB 3.85Å; I469-D676 HydrophobicContact CG1-CB 3.84Å | ||
| 470 | D | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 7.5 Ų | 7.5 | 1% | 0.005 | 4% | 0.039 | C | C | . | . | trans | -79.7 | 141.9 | 172.2 | -65.3 | -91.8 | 0 | 0 | 0 | 110.5 | D374 W375 C376 K455 C472 R475 H980 | D374-D470 WeakPolarHBondContact OD1-CA 3.5Å; W375-D470 WeakPolarHBondContact CB-OD1 3.47Å; C376-D470 PolarHBondContact N-OD1 2.74Å; C376-D470 WeakPolarHBondContact O-CB 3.18Å; K455-D470 VanDerWaalsContact CE-CG 3.41Å; K455-D470 VanDerWaalsContact CE-OD1 3.25Å; K455-D470 WeakPolarHBondContact CE-OD1 3.31Å; K455-D470 WeakPolarHBondContact CE-OD2 3.34Å; D470-C472 HydrophobicContact CB-CB 3.99Å; D470-C472 PolarHBondContact O-N 2.72Å; D470-R475 IonicContact OD2-CZ 2.75Å; D470-R475 IonicContact OD2-NH1 3.73Å; D470-R475 PolarHBondContact OD2-NH1 3.26Å; D470-R475 IonicContact OD2-NH2 3.07Å; D470-H980 IonicContact OD2-CE1 2.83Å | ||
| 471 | L | 96.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 7.5 Ų | 7.5 | 1% | 0.01 | 4% | 0.039 | C | C | . | . | S | Bend | trans | -80.3 | 66 | 175.2 | -62.5 | -178.1 | 0 | 0 | 0 | 110.7 | Y355 I372 D374 M377 H378 L383 L394 V457 | Y355-L471 HydrophobicContact CE1-CD2 4.4Å; I372-L471 HydrophobicContact CG2-CD1 4.35Å; D374-L471 WeakPolarHBondContact OD2-CB 2.95Å; D374-L471 PolarHBondContact OD2-N 3.13Å; M377-L471 HydrophobicContact CG-CB 4.4Å; H378-L471 PolarHBondContact N-O 2.89Å; L383-L471 HydrophobicContact CD2-CD2 4.21Å; L394-L471 HydrophobicContact CD1-CD1 4.32Å; L394-L471 HydrophobicContact CD2-CB 3.87Å; L394-L471 HydrophobicContact CD2-CD1 4.12Å; V457-L471 HydrophobicContact CG2-CD1 3.88Å |
| 472 | C | 94.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.007 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -142.3 | 164.9 | -163.7 | 111.3 | 0 | 0 | 0 | 0 | 111.9 | C376 H378 D470 R475 | C376-C472 HydrophobicContact CB-CB 4.49Å; C376-C472 WeakPolarHBondContact O-CB 3.28Å; H378-C472 VanDerWaalsContact ND1-CB 3.3Å; H378-C472 WeakPolarHBondContact ND1-CB 3.13Å; D470-C472 HydrophobicContact CB-CB 3.99Å; D470-C472 PolarHBondContact O-N 2.72Å; C472-R475 VanDerWaalsContact SG-CG 3.52Å |
| 473 | F | 93.7 | Very high | 94.5 | Very high | 7 Ų | 7 | 11.1 Ų | 11.1 | 3% | 0.031 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 146.3 | -177.6 | -70.5 | -39.8 | 0 | 0 | 0 | 113.6 | H378 T380 V381 R475 Q643 D644 P653 P659 | H378-F473 HydrophobicContact CB-CD1 4.31Å; H378-F473 HydrophobicContact CB-CD2 3.83Å; H378-F473 HydrophobicContact CB-CE1 4.33Å; H378-F473 HydrophobicContact CB-CE2 3.86Å; H378-F473 HydrophobicContact CB-CG 4.07Å; H378-F473 HydrophobicContact CB-CZ 4.13Å; H378-F473 AromaticContact CD2-CD2 3.43Å; H378-F473 VanDerWaalsContact CD2-CD2 3.43Å; H378-F473 WeakPolarHBondContact CD2-CD2 3.36Å; H378-F473 AromaticContact CD2-CE2 3.63Å; H378-F473 AromaticContact CG-CD2 3.46Å; H378-F473 VanDerWaalsContact CG-CD2 3.46Å; H378-F473 AromaticContact CG-CE2 3.83Å; H378-F473 AromaticContact CG-CG 3.93Å; H378-F473 AromaticContact ND1-CD2 3.95Å; H378-F473 PolarHBondContact ND1-N 3.03Å; H378-F473 AromaticContact NE2-CD2 3.93Å; T380-F473 WeakPolarHBondContact OG1-CZ 3.33Å; V381-F473 HydrophobicContact CB-CD1 4.11Å; V381-F473 HydrophobicContact CB-CE1 4.08Å; V381-F473 HydrophobicContact CG2-CD1 4.12Å; V381-F473 HydrophobicContact CG2-CE1 4.47Å; F473-R475 PolarHBondContact O-N 2.98Å; F473-Q643 HydrophobicContact CD2-CB 3.77Å; F473-Q643 HydrophobicContact CE2-CB 3.89Å; F473-Q643 HydrophobicContact CG-CB 4.4Å; F473-D644 WeakPolarHBondContact CA-OD1 3.36Å; F473-D644 HydrophobicContact CD1-CB 3.75Å; F473-D644 HydrophobicContact CE1-CB 4.33Å; F473-D644 HydrophobicContact CG-CB 4.39Å; F473-P653 HydrophobicContact CB-CB 4.21Å; F473-P653 HydrophobicContact CB-CG 4.06Å; F473-P653 HydrophobicContact CD2-CB 4.05Å; F473-P659 HydrophobicContact CE2-CB 4.45Å; F473-P659 HydrophobicContact CZ-CB 3.94Å |
| 474 | G | 94 | Very high | 94.3 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.01 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D644 | G474-D644 PolarHBondContact N-OD1 2.9Š|
| 475 | R | 95.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 12.5 Ų | 12.5 | 1% | 0.011 | 6% | 0.059 | C | C | . | . | trans | -90.2 | -18.5 | -174 | -54.5 | -59.9 | -65.6 | -82.7 | -11.7 | 114.3 | M356 G468 D470 C472 F473 D477 W674 D676 H980 | M356-R475 HydrophobicContact CE-CB 3.73Å; G468-R475 PolarHBondContact O-NH2 2.85Å; D470-R475 IonicContact OD2-CZ 2.75Å; D470-R475 IonicContact OD2-NH1 3.73Å; D470-R475 PolarHBondContact OD2-NH1 3.26Å; D470-R475 IonicContact OD2-NH2 3.07Å; C472-R475 VanDerWaalsContact SG-CG 3.52Å; F473-R475 PolarHBondContact O-N 2.98Å; R475-D477 PolarHBondContact O-N 3.19Å; R475-D477 VanDerWaalsContact O-N 3.13Å; R475-W674 VanDerWaalsContact CZ-CE3 3.47Å; R475-W674 VanDerWaalsContact NE-CZ3 3.29Å; R475-D676 IonicContact CZ-OD1 2.75Å; R475-D676 IonicContact CZ-OD2 3.83Å; R475-D676 VanDerWaalsContact CZ-OD2 3.29Å; R475-D676 IonicContact NE-OD2 3.05Å; R475-D676 PolarHBondContact NE-OD2 2.65Å; R475-D676 IonicContact NH2-OD1 3.76Å; R475-D676 PolarHBondContact NH2-OD1 3.17Å; R475-D676 IonicContact NH2-OD2 3.84Å; R475-D676 PolarHBondContact NH2-OD2 3.13Å; R475-H980 PolarHBondContact NH2-CE1 3.31Å; R475-H980 PolarHBondContact NH2-ND1 3.41Å | ||
| 476 | W | 95.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 13.1 Ų | 13.1 | 8% | 0.083 | 6% | 0.063 | C | C | . | . | trans | -71.8 | 107.2 | 171.3 | -168.4 | 104.1 | 0 | 0 | 0 | 107.6 | A353 M356 R385 T478 T639 W640 | A353-W476 HydrophobicContact CB-CD2 3.92Å; A353-W476 VanDerWaalsContact CB-CE2 3.47Å; A353-W476 HydrophobicContact CB-CE3 4.27Å; A353-W476 HydrophobicContact CB-CH2 3.95Å; A353-W476 HydrophobicContact CB-CZ2 3.49Å; A353-W476 VanDerWaalsContact CB-CZ2 3.49Å; A353-W476 HydrophobicContact CB-CZ3 4.32Å; M356-W476 HydrophobicContact CE-CB 4.13Å; M356-W476 HydrophobicContact SD-CB 3.75Å; M356-W476 VanDerWaalsContact SD-CD1 3.56Å; M356-W476 HydrophobicContact SD-CG 4.07Å; R385-W476 HydrophobicContact CB-CH2 3.98Å; R385-W476 HydrophobicContact CB-CZ2 3.61Å; R385-W476 HydrophobicContact CG-CD2 4.22Å; R385-W476 HydrophobicContact CG-CH2 4.33Å; R385-W476 HydrophobicContact CG-CZ2 3.82Å; W476-T478 HydrophobicContact CE3-CG2 4.43Å; W476-T478 HydrophobicContact CH2-CG2 3.69Å; W476-T478 HydrophobicContact CZ3-CG2 3.62Å; W476-T639 HydrophobicContact CH2-CG2 4.41Å; W476-T639 HydrophobicContact CZ3-CG2 3.96Å; W476-W640 HydrophobicContact CE3-CZ2 4.19Å; W476-W640 HydrophobicContact CZ3-CZ2 4.38Å; W476-W640 PolarHBondContact O-NE1 3.06Å | ||
| 477 | D | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.075 | C | C | . | . | trans | -133.8 | 162.9 | 177 | -139.7 | -33.7 | 0 | 0 | 0 | 111.2 | D351 G352 A353 R475 H481 R671 P673 W674 | D351-D477 HydrophobicContact CB-CB 4.49Å; D351-D477 WeakPolarHBondContact CB-O 3.34Å; G352-D477 PolarHBondContact N-O 3.46Å; A353-D477 WeakPolarHBondContact CB-O 3.21Å; A353-D477 PolarHBondContact N-O 3.22Å; R475-D477 PolarHBondContact O-N 3.19Å; R475-D477 VanDerWaalsContact O-N 3.13Å; D477-H481 IonicContact OD1-ND1 2.94Å; D477-H481 IonicContact OD2-ND1 3.59Å; D477-R671 IonicContact OD1-CZ 3.91Å; D477-R671 IonicContact OD1-NH2 3.77Å; D477-R671 PolarHBondContact OD1-NH2 2.86Å; D477-R671 IonicContact OD2-CZ 3.12Å; D477-R671 IonicContact OD2-NH1 3.34Å; D477-R671 PolarHBondContact OD2-NH1 3.41Å; D477-R671 IonicContact OD2-NH2 3.1Å; D477-R671 PolarHBondContact OD2-NH2 3.04Å; D477-P673 VanDerWaalsContact OD2-CA 3.24Å; D477-P673 WeakPolarHBondContact OD2-CA 3.41Å; D477-P673 WeakPolarHBondContact OD2-CB 3.49Å; D477-W674 VanDerWaalsContact CB-O 3.3Å; D477-W674 WeakPolarHBondContact CB-O 3.33Å; D477-W674 PolarHBondContact OD2-N 2.79Å | ||
| 478 | T | 94.7 | Very high | 91.4 | Very high | 27 Ų | 27 | 26.4 Ų | 26.4 | 17% | 0.166 | 12% | 0.121 | C | C | . | . | trans | -124.1 | 161.9 | 176.4 | 61.6 | 0 | 0 | 0 | 0 | 108.6 | D351 A353 W476 N480 H481 | D351-T478 VanDerWaalsContact OD2-C 3.28Å; A353-T478 HydrophobicContact CB-CG2 3.85Å; W476-T478 HydrophobicContact CE3-CG2 4.43Å; W476-T478 HydrophobicContact CH2-CG2 3.69Å; W476-T478 HydrophobicContact CZ3-CG2 3.62Å; T478-N480 PolarHBondContact O-N 3.44Å; T478-H481 PolarHBondContact O-N 3.47Å | ||
| 479 | N | 92.1 | Very high | 90.9 | Very high | 42 Ų | 42 | 34.6 Ų | 34.6 | 23% | 0.225 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -9.7 | 174.5 | 69.3 | -23.7 | 0 | 0 | 0 | 116.1 | D351 E1049 L1054 Y1139 | D351-N479 WeakPolarHBondContact OD2-CA 3.35Å; D351-N479 PolarHBondContact OD2-N 3.42Å; N479-E1049 HydrophobicContact CB-CG 4.27Å; N479-L1054 HydrophobicContact CB-CD1 4.22Å; N479-Y1139 VanDerWaalsContact O-CE2 3.3Å; N479-Y1139 WeakPolarHBondContact O-CE2 3.46Å; N479-Y1139 PolarHBondContact O-OH 3.31Å |
| 480 | N | 92.5 | Very high | 89.5 | Confident | 47 Ų | 47 | 35.3 Ų | 35.3 | 25% | 0.251 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -13.2 | 172.1 | -63.6 | -56.2 | 0 | 0 | 0 | 113.8 | T478 R482 N963 Y1139 | T478-N480 PolarHBondContact O-N 3.44Å; N480-R482 HydrophobicContact CB-CG 3.95Å; N480-R482 PolarHBondContact O-N 3.39Å; N480-N963 PolarHBondContact O-ND2 3.42Å; N480-Y1139 VanDerWaalsContact CA-OH 3.32Å; N480-Y1139 WeakPolarHBondContact CA-OH 3.39Å; N480-Y1139 PolarHBondContact O-OH 3.21Å |
| 481 | H | 95.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | 41.6 | 44.1 | 178.6 | -67.4 | -64.5 | 0 | 0 | 0 | 114.1 | D351 D477 T478 P673 W674 N963 I977 E1049 Y1139 | D351-H481 IonicContact OD1-CE1 3.18Å; D351-H481 PolarHBondContact OD1-CE1 2.75Å; D351-H481 IonicContact OD1-NE2 3.62Å; D351-H481 IonicContact OD2-CE1 3.43Å; D351-H481 IonicContact OD2-NE2 3.1Å; D477-H481 IonicContact OD1-ND1 2.94Å; D477-H481 IonicContact OD2-ND1 3.59Å; T478-H481 PolarHBondContact O-N 3.47Å; H481-P673 HydrophobicContact CB-CB 3.91Å; H481-P673 HydrophobicContact CB-CG 4.44Å; H481-W674 PolarHBondContact CE1-O 3.24Å; H481-N963 PolarHBondContact O-ND2 2.87Å; H481-I977 HydrophobicContact CB-CD1 3.69Å; H481-I977 HydrophobicContact CB-CG1 3.93Å; H481-E1049 IonicContact CD2-OE1 3.97Å; H481-E1049 IonicContact CE1-OE1 3.5Å; H481-E1049 IonicContact NE2-OE1 3.11Å; H481-E1049 PolarHBondContact NE2-OE1 2.72Å; H481-Y1139 AromaticContact CD2-CD2 3.99Å; H481-Y1139 AromaticContact CD2-CE2 3.7Å | ||
| 482 | R | 95.3 | Very high | 86.5 | Confident | 78 Ų | 78 | 42.2 Ų | 42.2 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | trans | -61.7 | 137.4 | -170.7 | -64.2 | -174 | -69.7 | 164.1 | 3.4 | 111.2 | N480 Q484 T639 W640 R671 | N480-R482 HydrophobicContact CB-CG 3.95Å; N480-R482 PolarHBondContact O-N 3.39Å; R482-Q484 WeakPolarHBondContact CB-O 3.45Å; R482-T639 PolarHBondContact NH2-OG1 3.22Å; R482-W640 HydrophobicContact CB-CH2 4.2Å; R482-R671 PolarHBondContact O-NE 3.16Å; R482-R671 PolarHBondContact O-NH2 3.3Å | ||
| 483 | L | 96.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -91.2 | -19.9 | -179.2 | -52.8 | -174.8 | 0 | 0 | 0 | 112.4 | Y645 P670 R671 P673 N963 D965 W967 E975 | L483-Y645 PolarHBondContact O-OH 3.28Å; L483-P670 HydrophobicContact CB-CB 4Å; L483-P670 HydrophobicContact CD1-CB 4.29Å; L483-R671 PolarHBondContact O-N 3.47Å; L483-R671 VanDerWaalsContact O-N 3.16Å; L483-P673 VanDerWaalsContact CD2-CD 3.48Å; L483-P673 HydrophobicContact CD2-CG 3.51Å; L483-N963 HydrophobicContact CD2-CB 4.42Å; L483-D965 HydrophobicContact CB-CB 3.71Å; L483-D965 HydrophobicContact CD1-CB 4.16Å; L483-D965 HydrophobicContact CG-CB 3.93Å; L483-D965 PolarHBondContact N-OD2 2.93Å; L483-W967 HydrophobicContact CB-CH2 3.72Å; L483-W967 HydrophobicContact CB-CZ3 4.26Å; L483-E975 HydrophobicContact CD1-CB 3.98Å; L483-E975 HydrophobicContact CD2-CB 3.89Å |
| 484 | Q | 91.9 | Very high | 84 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 13% | 0.126 | 25% | 0.247 | C | C | . | . | trans | -125.5 | 168.7 | 172.2 | 65.2 | 74.9 | 31.8 | 0 | 0 | 111.2 | R482 V486 D965 W967 | R482-Q484 WeakPolarHBondContact CB-O 3.45Å; Q484-V486 VanDerWaalsContact OE1-N 3.16Å; Q484-D965 PolarHBondContact N-OD2 3.18Å; Q484-W967 HydrophobicContact CB-CD2 4.22Å; Q484-W967 HydrophobicContact CB-CH2 4.3Å; Q484-W967 HydrophobicContact CB-CZ2 3.87Å; Q484-W967 HydrophobicContact CG-CD2 4.31Å; Q484-W967 HydrophobicContact CG-CE3 4.49Å | ||
| 485 | D | 90.7 | Very high | 82.7 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | trans | -147.3 | 5.9 | -167.7 | 82.8 | -36.5 | 0 | 0 | 0 | 116.8 | H487 C638 T639 W640 Y645 R666 | D485-H487 PolarHBondContact O-CD2 3.5Å; D485-H487 PolarHBondContact O-N 3.28Å; D485-C638 WeakPolarHBondContact O-CA 3.21Å; D485-C638 WeakPolarHBondContact OD2-CB 3.33Å; D485-T639 PolarHBondContact O-N 2.97Å; D485-T639 PolarHBondContact OD2-N 3.4Å; D485-W640 HydrophobicContact CB-CD2 4.42Å; D485-W640 HydrophobicContact CB-CE3 3.15Å; D485-W640 HydrophobicContact CB-CZ3 3.36Å; D485-W640 PolarHBondContact OD2-N 2.99Å; D485-Y645 HydrophobicContact CB-CD2 4.39Å; D485-Y645 HydrophobicContact CB-CE2 4.37Å; D485-R666 VanDerWaalsContact CG-NH1 3.29Å; D485-R666 IonicContact OD1-CZ 3.83Å; D485-R666 IonicContact OD1-NH1 3.73Å; D485-R666 PolarHBondContact OD1-NH1 3.08Å; D485-R666 IonicContact OD2-NH1 2.6Å; D485-R666 PolarHBondContact OD2-NH1 3.32Å; D485-R666 VanDerWaalsContact OD2-NH1 3.07Å | ||
| 486 | V | 83.2 | Confident | 81.3 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -72.4 | 127.8 | -179.6 | -176.2 | 0 | 0 | 0 | 0 | 108 | Q484 A490 V492 V495 | Q484-V486 VanDerWaalsContact OE1-N 3.16Å; V486-A490 HydrophobicContact CG1-CB 4.17Å; V486-A490 WeakPolarHBondContact CG1-O 3.29Å; V486-V492 HydrophobicContact CB-CG2 4.03Å; V486-V492 HydrophobicContact CG1-CG2 4.01Å; V486-V492 HydrophobicContact CG2-CB 4.21Å; V486-V492 HydrophobicContact CG2-CG1 3.97Å; V486-V492 HydrophobicContact CG2-CG2 3.68Å; V486-V495 HydrophobicContact CG1-CG2 4.2Å |
| 487 | H | 80.2 | Confident | 80 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 27% | 0.269 | 27% | 0.268 | S | S | . | . | trans | -69 | 142.2 | 179.7 | -61.2 | 178.3 | 0 | 0 | 0 | 108.9 | D485 I489 A490 Q636 R637 T639 | D485-H487 PolarHBondContact O-CD2 3.5Å; D485-H487 PolarHBondContact O-N 3.28Å; H487-I489 PolarHBondContact O-N 2.88Å; H487-A490 PolarHBondContact O-N 3.2Å; H487-Q636 PolarHBondContact ND1-O 3.32Å; H487-R637 PolarHBondContact N-O 3.35Å; H487-T639 PolarHBondContact NE2-OG1 3.49Å | ||
| 488 | K | 72.2 | Confident | 78.8 | Confident | 222 Ų | 222 | 55.8 Ų | 55.8 | 97% | 0.965 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -23.4 | -176.5 | -67.1 | -174.4 | 176.4 | -174.6 | 0 | 114.9 | ||
| 489 | I | 70.2 | Confident | 77.5 | Confident | 173 Ų | 173 | 54.7 Ų | 54.7 | 89% | 0.887 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -23.3 | -179.2 | -56.1 | 168.6 | 0 | 0 | 0 | 111.8 | H487 | H487-I489 PolarHBondContact O-N 2.88Š|
| 490 | A | 64.9 | Low | 76.5 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 13% | 0.132 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -99.9 | 141.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V486 H487 V495 R637 | V486-A490 HydrophobicContact CG1-CB 4.17Å; V486-A490 WeakPolarHBondContact CG1-O 3.29Å; H487-A490 PolarHBondContact O-N 3.2Å; A490-V495 HydrophobicContact CB-CG2 4.46Å; A490-R637 HydrophobicContact CB-CB 3.81Å; A490-R637 HydrophobicContact CB-CG 4.09Å |
| 491 | K | 67.6 | Low | 75.4 | Confident | 132 Ų | 132 | 61.9 Ų | 61.9 | 57% | 0.574 | 29% | 0.287 | S | S | * | . | trans | -83.5 | 140.6 | 167.9 | -61.1 | -178.7 | -178.5 | 177.1 | 0 | 109.6 | Q493 E494 V495 | K491-Q493 PolarHBondContact O-N 3.4Å; K491-E494 HydrophobicContact CB-CB 4.5Å; K491-E494 HydrophobicContact CB-CG 3.94Å; K491-E494 PolarHBondContact N-OE2 3.21Å; K491-E494 WeakPolarHBondContact O-CA 3.4Å; K491-E494 VanDerWaalsContact O-CB 3.29Å; K491-E494 WeakPolarHBondContact O-CB 3.27Å; K491-E494 PolarHBondContact O-N 2.76Å; K491-V495 PolarHBondContact O-N 2.99Å | ||
| 492 | V | 61.4 | Low | 74 | Confident | 16 Ų | 16 | 62.1 Ų | 62.1 | 10% | 0.097 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.2 | -34.3 | -179.9 | -169.4 | 0 | 0 | 0 | 0 | 111 | V486 E494 V495 N496 R666 T667 P968 | V486-V492 HydrophobicContact CB-CG2 4.03Å; V486-V492 HydrophobicContact CG1-CG2 4.01Å; V486-V492 HydrophobicContact CG2-CB 4.21Å; V486-V492 HydrophobicContact CG2-CG1 3.97Å; V486-V492 HydrophobicContact CG2-CG2 3.68Å; V492-E494 VanDerWaalsContact C-N 3.26Å; V492-E494 PolarHBondContact O-N 2.96Å; V492-V495 PolarHBondContact O-N 3.1Å; V492-N496 PolarHBondContact O-N 2.88Å; V492-R666 HydrophobicContact CG1-CG 4.08Å; V492-T667 HydrophobicContact CB-CG2 3.97Å; V492-T667 HydrophobicContact CG1-CG2 3.18Å; V492-P968 HydrophobicContact CG2-CB 4.37Å; V492-P968 HydrophobicContact CG2-CG 3.81Å |
| 493 | Q | 64 | Low | 72.5 | Confident | 136 Ų | 136 | 63.5 Ų | 63.5 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63 | -31.4 | 174.7 | -61 | 116.3 | -9.6 | 0 | 0 | 112.8 | K491 A497 | K491-Q493 PolarHBondContact O-N 3.4Å; Q493-A497 WeakPolarHBondContact O-CB 3.46Å; Q493-A497 PolarHBondContact O-N 3.12Å |
| 494 | E | 69.4 | Low | 71.1 | Confident | 82 Ų | 82 | 66.5 Ų | 66.5 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -71.7 | -39.9 | 176.3 | -64.6 | 162.3 | -178.2 | 0 | 0 | 110.8 | K491 V492 A497 E498 | K491-E494 HydrophobicContact CB-CB 4.5Å; K491-E494 HydrophobicContact CB-CG 3.94Å; K491-E494 PolarHBondContact N-OE2 3.21Å; K491-E494 WeakPolarHBondContact O-CA 3.4Å; K491-E494 VanDerWaalsContact O-CB 3.29Å; K491-E494 WeakPolarHBondContact O-CB 3.27Å; K491-E494 PolarHBondContact O-N 2.76Å; V492-E494 VanDerWaalsContact C-N 3.26Å; V492-E494 PolarHBondContact O-N 2.96Å; E494-A497 PolarHBondContact O-N 3.33Å; E494-E498 WeakPolarHBondContact O-CB 3.29Å; E494-E498 PolarHBondContact O-N 3.01Å |
| 495 | V | 67.3 | Low | 69.6 | Low | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.006 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.4 | -53.9 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | V486 A490 K491 V492 A497 E498 L499 R637 C638 | V486-V495 HydrophobicContact CG1-CG2 4.2Å; A490-V495 HydrophobicContact CB-CG2 4.46Å; K491-V495 PolarHBondContact O-N 2.99Å; V492-V495 PolarHBondContact O-N 3.1Å; V495-A497 VanDerWaalsContact C-N 3.28Å; V495-A497 PolarHBondContact O-N 3.48Å; V495-E498 PolarHBondContact O-N 3.46Å; V495-E498 VanDerWaalsContact O-N 3.14Å; V495-L499 HydrophobicContact CG1-CD1 3.98Å; V495-L499 HydrophobicContact CG1-CG 4.34Å; V495-L499 VanDerWaalsContact O-CG 3.3Å; V495-L499 WeakPolarHBondContact O-CG 3.33Å; V495-L499 PolarHBondContact O-N 3.09Å; V495-R637 HydrophobicContact CG2-CB 3.75Å; V495-C638 HydrophobicContact CG1-CB 4.32Å |
| 496 | N | 66.1 | Low | 67.9 | Low | 29 Ų | 29 | 71.2 Ų | 71.2 | 16% | 0.155 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.2 | -34.7 | 178 | -78.7 | -1.7 | 0 | 0 | 0 | 112.4 | V492 R500 D665 R666 T667 | V492-N496 PolarHBondContact O-N 2.88Å; N496-R500 VanDerWaalsContact O-CB 3.23Å; N496-R500 WeakPolarHBondContact O-CB 3.06Å; N496-R500 WeakPolarHBondContact O-CG 3.21Å; N496-R500 PolarHBondContact O-N 3.38Å; N496-R500 PolarHBondContact O-NE 2.84Å; N496-D665 PolarHBondContact ND2-OD1 3.34Å; N496-R666 WeakPolarHBondContact OD1-CG 3.49Å; N496-T667 VanDerWaalsContact ND2-CG2 3.28Å; N496-T667 WeakPolarHBondContact ND2-CG2 3.16Å |
| 497 | A | 69 | Low | 66.6 | Low | 45 Ų | 45 | 78.6 Ų | 78.6 | 37% | 0.372 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.5 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q493 E494 V495 R500 R501 | Q493-A497 WeakPolarHBondContact O-CB 3.46Å; Q493-A497 PolarHBondContact O-N 3.12Å; E494-A497 PolarHBondContact O-N 3.33Å; V495-A497 VanDerWaalsContact C-N 3.28Å; V495-A497 PolarHBondContact O-N 3.48Å; A497-R500 CarbonylContact O-C 3.57Å; A497-R500 PolarHBondContact O-N 3.48Å; A497-R501 WeakPolarHBondContact O-CB 3.47Å; A497-R501 PolarHBondContact O-N 2.74Å |
| 498 | E | 69.4 | Low | 65.1 | Low | 26 Ų | 26 | 85.1 Ų | 85.1 | 12% | 0.121 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.7 | -49.3 | 175.6 | -171.6 | 62.6 | -132.4 | 0 | 0 | 111.3 | E494 V495 R500 R501 I502 R637 | E494-E498 WeakPolarHBondContact O-CB 3.29Å; E494-E498 PolarHBondContact O-N 3.01Å; V495-E498 PolarHBondContact O-N 3.46Å; V495-E498 VanDerWaalsContact O-N 3.14Å; E498-R500 PolarHBondContact O-N 2.87Å; E498-R501 WeakPolarHBondContact O-CA 3.45Å; E498-R501 VanDerWaalsContact O-CB 3.29Å; E498-R501 WeakPolarHBondContact O-CB 3.37Å; E498-R501 PolarHBondContact O-N 3.31Å; E498-R501 IonicContact OE1-CZ 3.56Å; E498-R501 IonicContact OE1-NE 3.81Å; E498-R501 PolarHBondContact OE1-NE 2.89Å; E498-R501 IonicContact OE1-NH2 3.38Å; E498-R501 PolarHBondContact OE1-NH2 2.94Å; E498-R501 IonicContact OE2-NE 3.13Å; E498-I502 HydrophobicContact CG-CD1 4.24Å; E498-I502 VanDerWaalsContact O-CG1 3.28Å; E498-I502 WeakPolarHBondContact O-CG1 3.31Å; E498-I502 PolarHBondContact O-N 2.96Å; E498-R637 VanDerWaalsContact CB-NH1 3.34Å; E498-R637 VanDerWaalsContact CG-NH1 3.29Å; E498-R637 IonicContact OE2-CZ 3.79Å; E498-R637 IonicContact OE2-NH1 3.4Å; E498-R637 PolarHBondContact OE2-NH1 3.02Å |
| 499 | L | 69.2 | Low | 63.8 | Low | 5 Ų | 5 | 78.6 Ų | 78.6 | 3% | 0.026 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.6 | -33.5 | 177.5 | -58.3 | 179 | 0 | 0 | 0 | 111.1 | V495 I502 R503 A634 A660 D662 | V495-L499 HydrophobicContact CG1-CD1 3.98Å; V495-L499 HydrophobicContact CG1-CG 4.34Å; V495-L499 VanDerWaalsContact O-CG 3.3Å; V495-L499 WeakPolarHBondContact O-CG 3.33Å; V495-L499 PolarHBondContact O-N 3.09Å; L499-I502 HydrophobicContact CD2-CD1 4.24Å; L499-R503 WeakPolarHBondContact O-CG 3.08Å; L499-R503 PolarHBondContact O-N 2.72Å; L499-R503 VanDerWaalsContact O-N 3.07Å; L499-A634 HydrophobicContact CD2-CB 3.95Å; L499-A660 WeakPolarHBondContact CD2-O 3.49Å; L499-D662 VanDerWaalsContact CD1-CG 3.5Å; L499-D662 WeakPolarHBondContact CD1-OD1 3.49Å; L499-D662 WeakPolarHBondContact CD1-OD2 3.46Å |
| 500 | R | 69.1 | Low | 62.4 | Low | 144 Ų | 144 | 80 Ų | 80 | 54% | 0.543 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.2 | -38.1 | 169.6 | -78.2 | -179 | -69.7 | 172.6 | -1.5 | 113 | N496 A497 E498 R503 S504 | N496-R500 VanDerWaalsContact O-CB 3.23Å; N496-R500 WeakPolarHBondContact O-CB 3.06Å; N496-R500 WeakPolarHBondContact O-CG 3.21Å; N496-R500 PolarHBondContact O-N 3.38Å; N496-R500 PolarHBondContact O-NE 2.84Å; A497-R500 CarbonylContact O-C 3.57Å; A497-R500 PolarHBondContact O-N 3.48Å; E498-R500 PolarHBondContact O-N 2.87Å; R500-R503 WeakPolarHBondContact O-CB 3.33Å; R500-R503 PolarHBondContact O-N 2.98Å; R500-S504 PolarHBondContact O-N 3Å |
| 501 | R | 70.6 | Confident | 60.9 | Low | 96 Ų | 96 | 82 Ų | 82 | 36% | 0.362 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.4 | -49 | 174.9 | -169.1 | -169.9 | 74.8 | 78.9 | 17.7 | 109.7 | A497 E498 R503 S504 L505 E630 | A497-R501 WeakPolarHBondContact O-CB 3.47Å; A497-R501 PolarHBondContact O-N 2.74Å; E498-R501 WeakPolarHBondContact O-CA 3.45Å; E498-R501 VanDerWaalsContact O-CB 3.29Å; E498-R501 WeakPolarHBondContact O-CB 3.37Å; E498-R501 PolarHBondContact O-N 3.31Å; E498-R501 IonicContact OE1-CZ 3.56Å; E498-R501 IonicContact OE1-NE 3.81Å; E498-R501 PolarHBondContact OE1-NE 2.89Å; E498-R501 IonicContact OE1-NH2 3.38Å; E498-R501 PolarHBondContact OE1-NH2 2.94Å; E498-R501 IonicContact OE2-NE 3.13Å; R501-R503 VanDerWaalsContact C-N 3.33Å; R501-R503 PolarHBondContact O-N 2.92Å; R501-S504 PolarHBondContact O-N 2.9Å; R501-S504 PolarHBondContact O-OG 3.49Å; R501-L505 HydrophobicContact CG-CD1 4.5Å; R501-L505 PolarHBondContact O-N 3.23Å; R501-E630 IonicContact CZ-OE1 2.71Å; R501-E630 IonicContact NH1-OE1 3.07Å; R501-E630 IonicContact NH2-OE1 2.69Å; R501-E630 PolarHBondContact NH2-OE1 3.42Å |
| 502 | I | 65.9 | Low | 59.1 | Low | 5 Ų | 5 | 81 Ų | 81 | 3% | 0.026 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -54.7 | -46.2 | 173.5 | -65.2 | 169.5 | 0 | 0 | 0 | 110.6 | E498 L499 S504 R506 E630 A660 | E498-I502 HydrophobicContact CG-CD1 4.24Å; E498-I502 VanDerWaalsContact O-CG1 3.28Å; E498-I502 WeakPolarHBondContact O-CG1 3.31Å; E498-I502 PolarHBondContact O-N 2.96Å; L499-I502 HydrophobicContact CD2-CD1 4.24Å; I502-S504 PolarHBondContact O-N 3.43Å; I502-R506 PolarHBondContact O-N 2.8Å; I502-E630 HydrophobicContact CD1-CB 3.76Å; I502-E630 HydrophobicContact CG1-CB 3.85Å; I502-E630 HydrophobicContact CG1-CG 4.45Å; I502-E630 WeakPolarHBondContact CG1-OE2 3.38Å; I502-E630 WeakPolarHBondContact CG2-OE2 3.29Å; I502-A660 HydrophobicContact CG2-CB 4.05Å |
| 503 | R | 64.3 | Low | 57.5 | Low | 107 Ų | 107 | 86.5 Ų | 86.5 | 40% | 0.404 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -57.2 | -45.7 | 172.6 | -74.6 | 173.5 | 179 | 170.2 | 6 | 112.5 | L499 R500 R501 K507 L661 D662 | L499-R503 WeakPolarHBondContact O-CG 3.08Å; L499-R503 PolarHBondContact O-N 2.72Å; L499-R503 VanDerWaalsContact O-N 3.07Å; R500-R503 WeakPolarHBondContact O-CB 3.33Å; R500-R503 PolarHBondContact O-N 2.98Å; R501-R503 VanDerWaalsContact C-N 3.33Å; R501-R503 PolarHBondContact O-N 2.92Å; R503-K507 PolarHBondContact O-N 3.34Å; R503-L661 HydrophobicContact CG-CD1 4.15Å; R503-L661 HydrophobicContact CG-CD2 3.21Å; R503-L661 HydrophobicContact CG-CG 4.27Å; R503-D662 PolarHBondContact NH2-O 3.32Å |
| 504 | S | 66.2 | Low | 55.7 | Low | 62 Ų | 62 | 88.3 Ų | 88.3 | 43% | 0.434 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71.1 | -40.4 | -173.1 | 75.2 | 0 | 0 | 0 | 0 | 113.3 | R500 R501 I502 R506 K507 R508 | R500-S504 PolarHBondContact O-N 3Å; R501-S504 PolarHBondContact O-N 2.9Å; R501-S504 PolarHBondContact O-OG 3.49Å; I502-S504 PolarHBondContact O-N 3.43Å; S504-R506 PolarHBondContact O-N 3.39Å; S504-K507 PolarHBondContact O-N 2.68Å; S504-R508 PolarHBondContact O-N 2.81Å |
| 505 | L | 61.5 | Low | 53.7 | Low | 59 Ų | 59 | 89.4 Ų | 89.4 | 31% | 0.309 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.9 | -37.8 | 177 | -75 | 175.3 | 0 | 0 | 0 | 111.2 | R501 R508 S509 E630 | R501-L505 HydrophobicContact CG-CD1 4.5Å; R501-L505 PolarHBondContact O-N 3.23Å; L505-R508 WeakPolarHBondContact O-CB 3.36Å; L505-R508 PolarHBondContact O-N 2.93Å; L505-S509 PolarHBondContact O-N 2.76Å; L505-S509 PolarHBondContact O-OG 3.24Å; L505-E630 WeakPolarHBondContact CD1-OE1 3.38Å |
| 506 | R | 54.8 | Low | 51.7 | Low | 68 Ų | 68 | 98.3 Ų | 98.3 | 26% | 0.257 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.4 | -32.6 | 178.3 | -164.7 | 176.1 | 167.8 | 133.3 | 0.6 | 113.7 | I502 S504 R508 S509 R510 E624 H658 | I502-R506 PolarHBondContact O-N 2.8Å; S504-R506 PolarHBondContact O-N 3.39Å; R506-R508 VanDerWaalsContact C-N 3.26Å; R506-R508 PolarHBondContact O-N 2.85Å; R506-S509 PolarHBondContact O-N 3.31Å; R506-R510 PolarHBondContact O-N 3.36Å; R506-R510 VanDerWaalsContact O-N 3.14Å; R506-E624 IonicContact CZ-OE1 3.67Å; R506-E624 IonicContact NH1-OE1 3.18Å; R506-E624 IonicContact NH2-OE1 3.45Å; R506-E624 PolarHBondContact NH2-OE1 2.99Å; R506-H658 PolarHBondContact NH1-CD2 3.4Å |
| 507 | K | 55.3 | Low | 49.8 | Very low | 169 Ų | 169 | 100.3 Ų | 100.3 | 74% | 0.735 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.2 | -37.4 | 170.2 | -75.5 | -171.5 | 178.3 | -176.6 | 0 | 110.9 | R503 S504 R510 G511 | R503-K507 PolarHBondContact O-N 3.34Å; S504-K507 PolarHBondContact O-N 2.68Å; K507-R510 PolarHBondContact O-N 3.1Å; K507-G511 PolarHBondContact O-N 2.74Å |
| 508 | R | 48.4 | Very low | 47.7 | Very low | 195 Ų | 195 | 107.9 Ų | 107.9 | 74% | 0.736 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.6 | -40.6 | 174.1 | -78.3 | -178.7 | 172.7 | 171.7 | -2.1 | 113.1 | S504 L505 R506 R510 G511 T512 | S504-R508 PolarHBondContact O-N 2.81Å; L505-R508 WeakPolarHBondContact O-CB 3.36Å; L505-R508 PolarHBondContact O-N 2.93Å; R506-R508 VanDerWaalsContact C-N 3.26Å; R506-R508 PolarHBondContact O-N 2.85Å; R508-R510 VanDerWaalsContact C-N 3.27Å; R508-R510 PolarHBondContact O-N 2.78Å; R508-G511 PolarHBondContact O-N 2.86Å; R508-T512 PolarHBondContact O-N 2.8Å; R508-T512 PolarHBondContact O-OG1 2.94Å |
| 509 | S | 44.6 | Very low | 45.5 | Very low | 85 Ų | 85 | 116.2 Ų | 116.2 | 59% | 0.594 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65 | -28.5 | 176.5 | -52.4 | 0 | 0 | 0 | 0 | 113.4 | L505 R506 | L505-S509 PolarHBondContact O-N 2.76Å; L505-S509 PolarHBondContact O-OG 3.24Å; R506-S509 PolarHBondContact O-N 3.31Å |
| 510 | R | 40.6 | Very low | 43.4 | Very low | 201 Ų | 201 | 120.8 Ų | 120.8 | 76% | 0.758 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.7 | -28.3 | 170.4 | -85.8 | -172 | 163.7 | 169.2 | -3.6 | 113.7 | R506 K507 R508 | R506-R510 PolarHBondContact O-N 3.36Å; R506-R510 VanDerWaalsContact O-N 3.14Å; K507-R510 PolarHBondContact O-N 3.1Å; R508-R510 VanDerWaalsContact C-N 3.27Å; R508-R510 PolarHBondContact O-N 2.78Å |
| 511 | G | 33.9 | Very low | 41.4 | Very low | 58 Ų | 58 | 119 Ų | 119 | 60% | 0.598 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -82.7 | -6.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | K507 R508 | K507-G511 PolarHBondContact O-N 2.74Å; R508-G511 PolarHBondContact O-N 2.86Å |
| 512 | T | 30.2 | Very low | 39.2 | Very low | 112 Ų | 112 | 121 Ų | 121 | 69% | 0.687 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 4 | -173.7 | -37.6 | 0 | 0 | 0 | 0 | 113.6 | R508 | R508-T512 PolarHBondContact O-N 2.8Å; R508-T512 PolarHBondContact O-OG1 2.94Å |
| 513 | L | 27.2 | Very low | 37.3 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -91.7 | 103.3 | 168.6 | -87.3 | 131.9 | 0 | 0 | 0 | 109.3 | ||
| 514 | H | 26.1 | Very low | 35.4 | Very low | 173 Ų | 173 | 131 Ų | 131 | 80% | 0.801 | 70% | 0.695 | S | S | * | * | trans | 73.8 | 75.8 | 174.4 | -63.9 | -58.3 | 0 | 0 | 0 | 118 | ||||
| 515 | S | 27 | Very low | 33.4 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 71% | 0.708 | S | S | * | * | trans | -117.2 | 47.4 | 146.1 | 57.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 516 | Q | 25.4 | Very low | 31.6 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | trans | -142.7 | 80.6 | 163 | -72.7 | -163.2 | -1.6 | 0 | 0 | 108.9 | ||||
| 517 | G | 27 | Very low | 30.1 | Very low | 70 Ų | 70 | 143.4 Ų | 143.4 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -161.7 | 102.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 106 | Q519 | G517-Q519 PolarHBondContact O-N 3.47Š|
| 518 | K | 25 | Very low | 28.5 | Very low | 205 Ų | 205 | 143.9 Ų | 143.9 | 89% | 0.891 | 76% | 0.763 | S | S | * | * | trans | -44 | 132.1 | -176.5 | -77.3 | 168.9 | 169.1 | 176.3 | 0 | 111.3 | S520 | K518-S520 PolarHBondContact O-N 3.46Š| ||
| 519 | Q | 23.3 | Very low | 27.3 | Very low | 201 Ų | 201 | 142 Ų | 142 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | trans | -54.6 | 100.9 | 160.8 | -70.1 | 170.3 | -20.2 | 0 | 0 | 108.4 | G517 | G517-Q519 PolarHBondContact O-N 3.47Š| ||
| 520 | S | 25.8 | Very low | 26.3 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -98.5 | 103.9 | 147.5 | 65 | 0 | 0 | 0 | 0 | 106 | K518 D522 | K518-S520 PolarHBondContact O-N 3.46Å; S520-D522 PolarHBondContact O-N 3.42Å | ||
| 521 | S | 25.5 | Very low | 25.5 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -55.3 | 102.9 | 160.1 | 48.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 522 | D | 26.4 | Very low | 25 | Very low | 138 Ų | 138 | 141.1 Ų | 141.1 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -173.9 | 147.1 | 153.4 | -83.4 | -28.9 | 0 | 0 | 0 | 106.2 | S520 | S520-D522 PolarHBondContact O-N 3.42Š| ||
| 523 | F | 24.4 | Very low | 24.6 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 82% | 0.82 | 78% | 0.78 | S | S | * | * | trans | 87.5 | 40.9 | -170.3 | -53.3 | -79.4 | 0 | 0 | 0 | 116.6 | ||||
| 524 | V | 24.3 | Very low | 24.4 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | S | Bend | -95.5 | 129.2 | 129.1 | -176.3 | 0 | 0 | 0 | 0 | 105.2 | |||
| 525 | N | 24.1 | Very low | 24.2 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | 97.8 | 80.9 | -173.2 | -52.6 | -21.8 | 0 | 0 | 0 | 114.6 | ||||
| 526 | L | 24.6 | Very low | 24.1 | Very low | 151 Ų | 151 | 142 Ų | 142 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -136.4 | 92 | 134.9 | -146 | 73.9 | 0 | 0 | 0 | 108 | M528 | L526-M528 PolarHBondContact O-N 3.11Š| ||
| 527 | E | 23.3 | Very low | 24 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | -50.8 | 132.3 | 162.8 | -70.5 | 174.9 | 139.3 | 0 | 0 | 109.8 | H529 | E527-H529 PolarHBondContact O-N 3.2Š| ||
| 528 | M | 21.9 | Very low | 23.7 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | trans | 4.2 | 74.2 | 142.6 | -159.9 | 162.7 | 72.7 | 0 | 0 | 116.2 | L526 T530 | L526-M528 PolarHBondContact O-N 3.11Å; M528-T530 PolarHBondContact O-N 2.93Å | ||
| 529 | H | 23.4 | Very low | 23.6 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -87.4 | 99.1 | 156.8 | -85 | -70.4 | 0 | 0 | 0 | 108.6 | E527 V531 | E527-H529 PolarHBondContact O-N 3.2Å; H529-V531 VanDerWaalsContact C-N 3.35Å; H529-V531 PolarHBondContact O-N 3.03Å | ||
| 530 | T | 23.3 | Very low | 23.4 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -47.9 | 95 | 156.1 | 14.3 | 0 | 0 | 0 | 0 | 109.5 | M528 G532 | M528-T530 PolarHBondContact O-N 2.93Å; T530-G532 PolarHBondContact O-N 3.29Å | ||
| 531 | V | 24.7 | Very low | 23.2 | Very low | 140 Ų | 140 | 136 Ų | 136 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -78.8 | 107.2 | 165.7 | -177.3 | 0 | 0 | 0 | 0 | 106.8 | H529 | H529-V531 VanDerWaalsContact C-N 3.35Å; H529-V531 PolarHBondContact O-N 3.03Å | ||
| 532 | G | 21.4 | Very low | 23 | Very low | 51 Ų | 51 | 136 Ų | 136 | 53% | 0.526 | 77% | 0.774 | S | S | . | * | trans | -66.9 | 155.9 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | T530 | T530-G532 PolarHBondContact O-N 3.29Š| ||
| 533 | S | 22.4 | Very low | 23 | Very low | 119 Ų | 119 | 136.6 Ų | 136.6 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 29.9 | 93.5 | 135.2 | 60.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 534 | E | 23.9 | Very low | 23.2 | Very low | 195 Ų | 195 | 137 Ų | 137 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -100.6 | 99.4 | 140.8 | -77.4 | -175.1 | 168.7 | 0 | 0 | 107.8 | ||||
| 535 | S | 22.4 | Very low | 23.4 | Very low | 97 Ų | 97 | 135.7 Ų | 135.7 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -55.1 | 131.7 | 153.9 | 46.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 536 | D | 23.7 | Very low | 23.6 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 69% | 0.69 | 78% | 0.78 | S | S | * | * | -169.3 | 120 | 125 | -96.6 | -26.2 | 0 | 0 | 0 | 114.1 | |||||
| 537 | Q | 24.1 | Very low | 23.8 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | 70 | 92.3 | 131.1 | -63.8 | 171.8 | 34.9 | 0 | 0 | 119.9 | ||||
| 538 | T | 20.9 | Very low | 24.1 | Very low | 130 Ų | 130 | 133.4 Ų | 133.4 | 80% | 0.798 | 77% | 0.772 | S | S | * | * | 13 | 113.3 | 122.1 | 55.3 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 539 | C | 21.2 | Very low | 24.6 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 95% | 0.946 | 77% | 0.771 | S | S | * | * | trans | -122.3 | 99.1 | 140.5 | -91.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 540 | S | 20.1 | Very low | 25.2 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -81.7 | 128.6 | 160.6 | 57.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 541 | S | 21.6 | Very low | 25.7 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | 172 | 130.4 | 125.9 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 542 | C | 21.2 | Very low | 26 | Very low | 105 Ų | 105 | 141 Ų | 141 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | trans | 49.6 | 107.4 | 150.2 | 58.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 543 | D | 27.3 | Very low | 26.6 | Very low | 151 Ų | 151 | 143.7 Ų | 143.7 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | -155.9 | 97.3 | 129.8 | -121.5 | -12.3 | 0 | 0 | 0 | 111.3 | T545 | D543-T545 PolarHBondContact O-N 3.15Š| |||
| 544 | H | 26.8 | Very low | 27.5 | Very low | 196 Ų | 196 | 142 Ų | 142 | 91% | 0.907 | 75% | 0.747 | S | S | * | * | trans | -77.2 | 90.7 | 170.8 | -77.4 | -80.9 | 0 | 0 | 0 | 109.4 | ||||
| 545 | T | 29.3 | Very low | 28.3 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 64% | 0.644 | 72% | 0.723 | S | S | * | * | trans | -125.6 | 133.2 | 158.6 | 55.3 | 0 | 0 | 0 | 0 | 110.5 | D543 K547 | D543-T545 PolarHBondContact O-N 3.15Å; T545-K547 PolarHBondContact O-N 3.18Å | ||
| 546 | P | 27.8 | Very low | 29 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 85% | 0.851 | 71% | 0.706 | S | S | * | * | trans | -70.5 | 110.9 | -174.7 | -1.7 | 15.2 | 0 | 0 | 0 | 109.8 | ||||
| 547 | K | 29.1 | Very low | 29.8 | Very low | 174 Ų | 174 | 132.8 Ų | 132.8 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | trans | -59.8 | 131.8 | 170.7 | -71.3 | 177.8 | -179.5 | 170.4 | 0 | 109.1 | T545 R549 | T545-K547 PolarHBondContact O-N 3.18Å; K547-R549 PolarHBondContact O-N 3.1Å | ||
| 548 | P | 29.3 | Very low | 30.7 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 64% | 0.643 | 69% | 0.693 | S | S | * | * | trans | -63.9 | 132.1 | -172.2 | 25.2 | -33.6 | 0 | 0 | 0 | 111.3 | H550 R551 | P548-H550 PolarHBondContact O-N 3.39Å; P548-R551 PolarHBondContact O-N 2.81Å; P548-R551 VanDerWaalsContact O-N 3.13Å | ||
| 549 | R | 33.3 | Very low | 31.7 | Very low | 229 Ų | 229 | 132.1 Ų | 132.1 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.8 | -23.6 | -173.9 | -87.4 | 177.1 | 144.5 | 125.8 | -6.3 | 115 | K547 R551 R552 | K547-R549 PolarHBondContact O-N 3.1Å; R549-R551 VanDerWaalsContact C-N 3.31Å; R549-R551 PolarHBondContact O-N 2.81Å; R549-R552 PolarHBondContact O-N 3.41Å |
| 550 | H | 34.9 | Very low | 32.7 | Very low | 161 Ų | 161 | 128 Ų | 128 | 75% | 0.745 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62.5 | -29.7 | 177.4 | -92.5 | -61.6 | 0 | 0 | 0 | 114.9 | P548 T554 | P548-H550 PolarHBondContact O-N 3.39Å; H550-T554 PolarHBondContact O-N 3.21Å; H550-T554 PolarHBondContact O-OG1 3.36Å; H550-T554 VanDerWaalsContact O-OG1 3.13Å |
| 551 | R | 33.6 | Very low | 33.7 | Very low | 178 Ų | 178 | 124.5 Ų | 124.5 | 67% | 0.672 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -75.4 | -24.8 | -178 | -141.3 | 176.8 | -176.8 | -176.9 | -2.2 | 112.9 | P548 R549 N555 | P548-R551 PolarHBondContact O-N 2.81Å; P548-R551 VanDerWaalsContact O-N 3.13Å; R549-R551 VanDerWaalsContact C-N 3.31Å; R549-R551 PolarHBondContact O-N 2.81Å; R551-N555 PolarHBondContact O-N 3.23Å |
| 552 | R | 32.2 | Very low | 34.7 | Very low | 200 Ų | 200 | 123.9 Ų | 123.9 | 76% | 0.755 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.8 | -39 | 176.7 | -75.3 | -173.1 | 178.4 | 179.2 | -0.1 | 111.7 | R549 A556 | R549-R552 PolarHBondContact O-N 3.41Å; R552-A556 WeakPolarHBondContact O-CB 3.4Å; R552-A556 PolarHBondContact O-N 3.18Å |
| 553 | L | 33.7 | Very low | 35.8 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 56% | 0.555 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.3 | -43.2 | 178.5 | -172.9 | 65.6 | 0 | 0 | 0 | 111.6 | N555 A556 I557 | L553-N555 PolarHBondContact O-N 3.16Å; L553-A556 PolarHBondContact O-N 3.45Å; L553-I557 HydrophobicContact CD1-CD1 4.33Å; L553-I557 HydrophobicContact CD1-CG1 4.44Å; L553-I557 HydrophobicContact CD2-CD1 4.49Å; L553-I557 HydrophobicContact CG-CD1 3.89Å; L553-I557 HydrophobicContact CG-CG1 4.42Å; L553-I557 WeakPolarHBondContact O-CB 3.38Å; L553-I557 VanDerWaalsContact O-CG1 3.25Å; L553-I557 WeakPolarHBondContact O-CG1 3.26Å; L553-I557 PolarHBondContact O-N 2.96Å |
| 554 | T | 40.3 | Very low | 36.4 | Very low | 83 Ų | 83 | 119 Ų | 119 | 51% | 0.509 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.8 | -42 | 177.3 | -40 | 0 | 0 | 0 | 0 | 112 | H550 I557 Q558 | H550-T554 PolarHBondContact O-N 3.21Å; H550-T554 PolarHBondContact O-OG1 3.36Å; H550-T554 VanDerWaalsContact O-OG1 3.13Å; T554-I557 PolarHBondContact O-N 3.36Å; T554-Q558 WeakPolarHBondContact O-CB 3.19Å; T554-Q558 PolarHBondContact O-N 2.99Å |
| 555 | N | 40.8 | Very low | 37.2 | Very low | 76 Ų | 76 | 112.6 Ų | 112.6 | 41% | 0.406 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.9 | -31.5 | 175.7 | -72.1 | 6.4 | 0 | 0 | 0 | 112.3 | R551 L553 R559 | R551-N555 PolarHBondContact O-N 3.23Å; L553-N555 PolarHBondContact O-N 3.16Å; N555-R559 WeakPolarHBondContact O-CB 3.41Å; N555-R559 VanDerWaalsContact O-CG 3.28Å; N555-R559 WeakPolarHBondContact O-CG 3.38Å; N555-R559 PolarHBondContact O-N 2.82Å |
| 556 | A | 37.3 | Very low | 37.8 | Very low | 40 Ų | 40 | 109.8 Ų | 109.8 | 33% | 0.331 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69 | -41.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | R552 L553 Q558 R559 A560 | R552-A556 WeakPolarHBondContact O-CB 3.4Å; R552-A556 PolarHBondContact O-N 3.18Å; L553-A556 PolarHBondContact O-N 3.45Å; A556-Q558 VanDerWaalsContact C-N 3.34Å; A556-R559 PolarHBondContact O-N 2.53Å; A556-A560 VanDerWaalsContact O-CB 3.28Å; A556-A560 WeakPolarHBondContact O-CB 3.19Å; A556-A560 PolarHBondContact O-N 3.32Å |
| 557 | I | 41 | Very low | 38.6 | Very low | 112 Ų | 112 | 108.1 Ų | 108.1 | 57% | 0.574 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -63.9 | -41.3 | 173.7 | -68.2 | 166.6 | 0 | 0 | 0 | 110.4 | L553 T554 A560 G561 | L553-I557 HydrophobicContact CD1-CD1 4.33Å; L553-I557 HydrophobicContact CD1-CG1 4.44Å; L553-I557 HydrophobicContact CD2-CD1 4.49Å; L553-I557 HydrophobicContact CG-CD1 3.89Å; L553-I557 HydrophobicContact CG-CG1 4.42Å; L553-I557 WeakPolarHBondContact O-CB 3.38Å; L553-I557 VanDerWaalsContact O-CG1 3.25Å; L553-I557 WeakPolarHBondContact O-CG1 3.26Å; L553-I557 PolarHBondContact O-N 2.96Å; T554-I557 PolarHBondContact O-N 3.36Å; I557-A560 PolarHBondContact O-N 3.1Å; I557-G561 PolarHBondContact O-N 3.36Å |
| 558 | Q | 42.3 | Very low | 39 | Very low | 120 Ų | 120 | 102.1 Ų | 102.1 | 56% | 0.561 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.8 | -45.5 | 176.3 | -169.6 | 159.9 | -9.6 | 0 | 0 | 111.4 | T554 A556 A560 G561 D562 | T554-Q558 WeakPolarHBondContact O-CB 3.19Å; T554-Q558 PolarHBondContact O-N 2.99Å; A556-Q558 VanDerWaalsContact C-N 3.34Å; Q558-A560 VanDerWaalsContact C-N 3.3Å; Q558-A560 PolarHBondContact O-N 2.97Å; Q558-G561 PolarHBondContact O-N 3.15Å; Q558-G561 VanDerWaalsContact O-N 3.17Å; Q558-D562 WeakPolarHBondContact O-CB 3.49Å; Q558-D562 PolarHBondContact O-N 3.3Å |
| 559 | R | 42.8 | Very low | 39.5 | Very low | 151 Ų | 151 | 100.8 Ų | 100.8 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.9 | -34.6 | 172.6 | -76 | -174.5 | -62.2 | -110.5 | 1.6 | 113.2 | N555 A556 A563 | N555-R559 WeakPolarHBondContact O-CB 3.41Å; N555-R559 VanDerWaalsContact O-CG 3.28Å; N555-R559 WeakPolarHBondContact O-CG 3.38Å; N555-R559 PolarHBondContact O-N 2.82Å; A556-R559 PolarHBondContact O-N 2.53Å; R559-A563 WeakPolarHBondContact O-CB 3.31Å; R559-A563 PolarHBondContact O-N 3.36Å |
| 560 | A | 41.7 | Very low | 39.8 | Very low | 55 Ų | 55 | 93.5 Ų | 93.5 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69 | -39.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A556 I557 Q558 A563 M564 | A556-A560 VanDerWaalsContact O-CB 3.28Å; A556-A560 WeakPolarHBondContact O-CB 3.19Å; A556-A560 PolarHBondContact O-N 3.32Å; I557-A560 PolarHBondContact O-N 3.1Å; Q558-A560 VanDerWaalsContact C-N 3.3Å; Q558-A560 PolarHBondContact O-N 2.97Å; A560-A563 PolarHBondContact O-N 3.42Å; A560-M564 WeakPolarHBondContact O-CB 3.4Å; A560-M564 PolarHBondContact O-N 3.45Å |
| 561 | G | 40.5 | Very low | 40 | Very low | 37 Ų | 37 | 91.8 Ų | 91.8 | 38% | 0.381 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I557 Q558 M564 L565 | I557-G561 PolarHBondContact O-N 3.36Å; Q558-G561 PolarHBondContact O-N 3.15Å; Q558-G561 VanDerWaalsContact O-N 3.17Å; G561-M564 PolarHBondContact O-N 2.94Å; G561-L565 WeakPolarHBondContact O-CB 3.35Å; G561-L565 PolarHBondContact O-N 3.01Å |
| 562 | D | 43.5 | Very low | 40.6 | Very low | 93 Ų | 93 | 86.3 Ų | 86.3 | 50% | 0.497 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 176.1 | -62.8 | -24.7 | 0 | 0 | 0 | 111.2 | Q558 L565 S566 | Q558-D562 WeakPolarHBondContact O-CB 3.49Å; Q558-D562 PolarHBondContact O-N 3.3Å; D562-L565 PolarHBondContact O-N 3.4Å; D562-S566 WeakPolarHBondContact O-CB 3.46Å; D562-S566 PolarHBondContact O-N 3.41Å |
| 563 | A | 43.4 | Very low | 41 | Very low | 50 Ų | 50 | 80.1 Ų | 80.1 | 41% | 0.413 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.3 | -42.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R559 A560 L565 S566 I567 | R559-A563 WeakPolarHBondContact O-CB 3.31Å; R559-A563 PolarHBondContact O-N 3.36Å; A560-A563 PolarHBondContact O-N 3.42Å; A563-L565 VanDerWaalsContact C-N 3.33Å; A563-L565 PolarHBondContact O-N 3.44Å; A563-S566 WeakPolarHBondContact O-CB 3.48Å; A563-S566 PolarHBondContact O-N 3.34Å; A563-I567 VanDerWaalsContact O-CG1 3.28Å; A563-I567 WeakPolarHBondContact O-CG1 3.46Å; A563-I567 PolarHBondContact O-N 2.68Å |
| 564 | M | 40 | Very low | 41.6 | Very low | 102 Ų | 102 | 81.2 Ų | 81.2 | 50% | 0.502 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.4 | -46.6 | 171.6 | -102 | 175 | 75.7 | 0 | 0 | 110.6 | A560 G561 S566 I567 M568 | A560-M564 WeakPolarHBondContact O-CB 3.4Å; A560-M564 PolarHBondContact O-N 3.45Å; G561-M564 PolarHBondContact O-N 2.94Å; M564-S566 VanDerWaalsContact C-N 3.31Å; M564-S566 PolarHBondContact O-N 2.87Å; M564-I567 PolarHBondContact O-N 3.35Å; M564-M568 VanDerWaalsContact O-CG 3.24Å; M564-M568 WeakPolarHBondContact O-CG 3.4Å; M564-M568 PolarHBondContact O-N 3.49Å |
| 565 | L | 43.4 | Very low | 41.9 | Very low | 62 Ų | 62 | 85.1 Ų | 85.1 | 33% | 0.325 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 177.2 | -164.9 | 72.2 | 0 | 0 | 0 | 111.2 | G561 D562 A563 I567 M568 Y569 | G561-L565 WeakPolarHBondContact O-CB 3.35Å; G561-L565 PolarHBondContact O-N 3.01Å; D562-L565 PolarHBondContact O-N 3.4Å; A563-L565 VanDerWaalsContact C-N 3.33Å; A563-L565 PolarHBondContact O-N 3.44Å; L565-I567 PolarHBondContact O-N 3.21Å; L565-M568 HydrophobicContact CD1-SD 4.29Å; L565-M568 WeakPolarHBondContact O-CB 3.5Å; L565-M568 PolarHBondContact O-N 3.42Å; L565-Y569 HydrophobicContact CD2-CE2 4.43Å; L565-Y569 HydrophobicContact CG-CD2 4.21Å; L565-Y569 HydrophobicContact CG-CE2 4.08Å; L565-Y569 VanDerWaalsContact O-CD2 3.26Å; L565-Y569 WeakPolarHBondContact O-CD2 3.05Å; L565-Y569 PolarHBondContact O-N 2.95Å |
| 566 | S | 43.5 | Very low | 42.3 | Very low | 47 Ų | 47 | 90.1 Ų | 90.1 | 33% | 0.329 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 175 | -173.1 | 0 | 0 | 0 | 0 | 112.9 | D562 A563 M564 Y569 Q570 | D562-S566 WeakPolarHBondContact O-CB 3.46Å; D562-S566 PolarHBondContact O-N 3.41Å; A563-S566 WeakPolarHBondContact O-CB 3.48Å; A563-S566 PolarHBondContact O-N 3.34Å; M564-S566 VanDerWaalsContact C-N 3.31Å; M564-S566 PolarHBondContact O-N 2.87Å; S566-Y569 PolarHBondContact O-N 3.02Å; S566-Q570 WeakPolarHBondContact O-CG 3.1Å; S566-Q570 PolarHBondContact O-N 2.69Å |
| 567 | I | 44.5 | Very low | 42.8 | Very low | 96 Ų | 96 | 92.4 Ų | 92.4 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 174.4 | -68 | 164 | 0 | 0 | 0 | 109.8 | A563 M564 L565 Y569 Q570 M571 | A563-I567 VanDerWaalsContact O-CG1 3.28Å; A563-I567 WeakPolarHBondContact O-CG1 3.46Å; A563-I567 PolarHBondContact O-N 2.68Å; M564-I567 PolarHBondContact O-N 3.35Å; L565-I567 PolarHBondContact O-N 3.21Å; I567-Y569 VanDerWaalsContact C-N 3.26Å; I567-Y569 PolarHBondContact O-N 3.15Å; I567-Q570 PolarHBondContact O-N 2.66Å; I567-M571 HydrophobicContact CG2-SD 4.15Å; I567-M571 WeakPolarHBondContact O-CG 3.46Å; I567-M571 PolarHBondContact O-N 3.03Å; I567-M571 VanDerWaalsContact O-N 3.1Å |
| 568 | M | 37.2 | Very low | 42.9 | Very low | 47 Ų | 47 | 87.2 Ų | 87.2 | 23% | 0.232 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -55.3 | -41.9 | 173.6 | -68.1 | 176.5 | 77.3 | 0 | 0 | 111.6 | M564 L565 A572 I1160 M1163 | M564-M568 VanDerWaalsContact O-CG 3.24Å; M564-M568 WeakPolarHBondContact O-CG 3.4Å; M564-M568 PolarHBondContact O-N 3.49Å; L565-M568 HydrophobicContact CD1-SD 4.29Å; L565-M568 WeakPolarHBondContact O-CB 3.5Å; L565-M568 PolarHBondContact O-N 3.42Å; M568-A572 PolarHBondContact O-N 2.97Å; M568-I1160 HydrophobicContact CE-CG2 3.99Å; M568-M1163 HydrophobicContact CB-CE 4.25Å; M568-M1163 HydrophobicContact CB-SD 4.32Å; M568-M1163 HydrophobicContact CE-CB 4.02Å; M568-M1163 HydrophobicContact CE-SD 4.29Å; M568-M1163 HydrophobicContact CG-CE 3.23Å; M568-M1163 HydrophobicContact CG-SD 3.57Å; M568-M1163 VanDerWaalsContact CG-SD 3.57Å; M568-M1163 HydrophobicContact SD-CE 4.38Å |
| 569 | Y | 40.5 | Very low | 43.1 | Very low | 72 Ų | 72 | 85.8 Ų | 85.8 | 28% | 0.282 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 177 | -90.6 | -76.2 | 0 | 0 | 0 | 113.5 | L565 S566 I567 M571 A572 | L565-Y569 HydrophobicContact CD2-CE2 4.43Å; L565-Y569 HydrophobicContact CG-CD2 4.21Å; L565-Y569 HydrophobicContact CG-CE2 4.08Å; L565-Y569 VanDerWaalsContact O-CD2 3.26Å; L565-Y569 WeakPolarHBondContact O-CD2 3.05Å; L565-Y569 PolarHBondContact O-N 2.95Å; S566-Y569 PolarHBondContact O-N 3.02Å; I567-Y569 VanDerWaalsContact C-N 3.26Å; I567-Y569 PolarHBondContact O-N 3.15Å; Y569-M571 VanDerWaalsContact C-N 3.26Å; Y569-M571 PolarHBondContact O-N 3.27Å; Y569-A572 PolarHBondContact O-N 3.16Å |
| 570 | Q | 38 | Very low | 43.5 | Very low | 75 Ų | 75 | 87.3 Ų | 87.3 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -34.2 | 176.7 | -78.4 | -74.7 | -41.8 | 0 | 0 | 112.2 | S566 I567 | S566-Q570 WeakPolarHBondContact O-CG 3.1Å; S566-Q570 PolarHBondContact O-N 2.69Å; I567-Q570 PolarHBondContact O-N 2.66Å |
| 571 | M | 40.5 | Very low | 43.7 | Very low | 125 Ų | 125 | 86.1 Ų | 86.1 | 62% | 0.616 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -80.4 | -24.7 | -179.3 | -66.2 | -178.4 | 72.6 | 0 | 0 | 113.6 | I567 Y569 | I567-M571 HydrophobicContact CG2-SD 4.15Å; I567-M571 WeakPolarHBondContact O-CG 3.46Å; I567-M571 PolarHBondContact O-N 3.03Å; I567-M571 VanDerWaalsContact O-N 3.1Å; Y569-M571 VanDerWaalsContact C-N 3.26Å; Y569-M571 PolarHBondContact O-N 3.27Å |
| 572 | A | 46.1 | Very low | 43.8 | Very low | 64 Ų | 64 | 86.3 Ų | 86.3 | 53% | 0.529 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -84.7 | -10.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | M568 Y569 | M568-A572 PolarHBondContact O-N 2.97Å; Y569-A572 PolarHBondContact O-N 3.16Å |
| 573 | L | 39.8 | Very low | 43.8 | Very low | 70 Ų | 70 | 87 Ų | 87 | 37% | 0.366 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -136.8 | 138.8 | -172.5 | -65.9 | 170.8 | 0 | 0 | 0 | 111.9 | S578 V581 | L573-S578 WeakPolarHBondContact O-CB 3.25Å; L573-S578 PolarHBondContact O-OG 3.03Å; L573-V581 HydrophobicContact CD1-CB 4.3Å; L573-V581 HydrophobicContact CD1-CG1 4.15Å; L573-V581 HydrophobicContact CD1-CG2 4.17Å |
| 574 | D | 45.5 | Very low | 43.9 | Very low | 129 Ų | 129 | 86.4 Ų | 86.4 | 69% | 0.69 | 43% | 0.433 | S | S | * | . | trans | -51.1 | 140.6 | 176.5 | 178.6 | 33.9 | 0 | 0 | 0 | 112.3 | K576 E577 S578 | D574-K576 VanDerWaalsContact C-N 3.25Å; D574-K576 PolarHBondContact O-N 3.03Å; D574-E577 CarbonylContact O-C 3.41Å; D574-E577 WeakPolarHBondContact O-CA 3.45Å; D574-E577 WeakPolarHBondContact O-CB 3.34Å; D574-E577 PolarHBondContact O-N 3.09Å; D574-S578 VanDerWaalsContact C-OG 3.28Å; D574-S578 PolarHBondContact O-N 2.94Å; D574-S578 PolarHBondContact O-OG 2.92Å | ||
| 575 | K | 47.6 | Very low | 43.8 | Very low | 165 Ų | 165 | 83.5 Ų | 83.5 | 72% | 0.717 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -52.2 | -36.4 | -161.5 | -160.8 | 176.9 | -175.3 | 178.8 | 0 | 114.4 | S578 L579 | K575-S578 WeakPolarHBondContact CA-OG 3.38Å; K575-S578 PolarHBondContact N-OG 2.64Å; K575-S578 PolarHBondContact O-OG 2.89Å; K575-L579 PolarHBondContact O-N 3.32Å; K575-L579 VanDerWaalsContact O-N 3.11Å |
| 576 | K | 49.3 | Very low | 43.3 | Very low | 180 Ų | 180 | 87 Ų | 87 | 78% | 0.783 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -76.3 | -36.2 | 179.2 | -155.6 | 178.1 | -173.5 | 179.9 | 0 | 111.5 | D574 R580 | D574-K576 VanDerWaalsContact C-N 3.25Å; D574-K576 PolarHBondContact O-N 3.03Å; K576-R580 WeakPolarHBondContact O-CB 3.32Å; K576-R580 PolarHBondContact O-N 2.98Å |
| 577 | E | 47.9 | Very low | 43.2 | Very low | 88 Ų | 88 | 86.9 Ų | 86.9 | 41% | 0.411 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -77.6 | -37.1 | 175.5 | -162.3 | 59.6 | -162.6 | 0 | 0 | 111.3 | D574 L579 R580 V581 | D574-E577 CarbonylContact O-C 3.41Å; D574-E577 WeakPolarHBondContact O-CA 3.45Å; D574-E577 WeakPolarHBondContact O-CB 3.34Å; D574-E577 PolarHBondContact O-N 3.09Å; E577-L579 VanDerWaalsContact C-N 3.34Å; E577-L579 PolarHBondContact O-N 3.23Å; E577-R580 PolarHBondContact O-N 3.05Å; E577-V581 HydrophobicContact CG-CG2 4.15Å; E577-V581 WeakPolarHBondContact O-CB 3.39Å; E577-V581 WeakPolarHBondContact O-CG2 3.4Å; E577-V581 PolarHBondContact O-N 2.85Å |
| 578 | S | 43.5 | Very low | 42.8 | Very low | 4 Ų | 4 | 86.7 Ų | 86.7 | 3% | 0.028 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.7 | -36.6 | 171.1 | 25.7 | 0 | 0 | 0 | 0 | 111.6 | L573 D574 K575 L582 | L573-S578 WeakPolarHBondContact O-CB 3.25Å; L573-S578 PolarHBondContact O-OG 3.03Å; D574-S578 VanDerWaalsContact C-OG 3.28Å; D574-S578 PolarHBondContact O-N 2.94Å; D574-S578 PolarHBondContact O-OG 2.92Å; K575-S578 WeakPolarHBondContact CA-OG 3.38Å; K575-S578 PolarHBondContact N-OG 2.64Å; K575-S578 PolarHBondContact O-OG 2.89Å; S578-L582 WeakPolarHBondContact O-CA 3.43Å; S578-L582 WeakPolarHBondContact O-CB 3.4Å; S578-L582 PolarHBondContact O-N 3.49Å |
| 579 | L | 44.9 | Very low | 42.9 | Very low | 90 Ų | 90 | 87.6 Ų | 87.6 | 47% | 0.471 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.5 | -37.9 | 171.8 | -115.2 | 110.7 | 0 | 0 | 0 | 113.1 | K575 E577 N583 | K575-L579 PolarHBondContact O-N 3.32Å; K575-L579 VanDerWaalsContact O-N 3.11Å; E577-L579 VanDerWaalsContact C-N 3.34Å; E577-L579 PolarHBondContact O-N 3.23Å; L579-N583 VanDerWaalsContact O-CB 3.24Å; L579-N583 WeakPolarHBondContact O-CB 2.95Å; L579-N583 PolarHBondContact O-N 2.8Å |
| 580 | R | 52.1 | Low | 42.7 | Very low | 182 Ų | 182 | 87.6 Ų | 87.6 | 69% | 0.687 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68.5 | -44.2 | 178 | -163.4 | -175.6 | -166.9 | 161.4 | 4.3 | 111.2 | K576 E577 A584 | K576-R580 WeakPolarHBondContact O-CB 3.32Å; K576-R580 PolarHBondContact O-N 2.98Å; E577-R580 PolarHBondContact O-N 3.05Å; R580-A584 WeakPolarHBondContact O-CB 3.47Å; R580-A584 PolarHBondContact O-N 2.78Å |
| 581 | V | 46.5 | Very low | 42.3 | Very low | 30 Ų | 30 | 87 Ų | 87 | 18% | 0.182 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 174.3 | 172.7 | 0 | 0 | 0 | 0 | 109.8 | L573 E577 Q585 | L573-V581 HydrophobicContact CD1-CB 4.3Å; L573-V581 HydrophobicContact CD1-CG1 4.15Å; L573-V581 HydrophobicContact CD1-CG2 4.17Å; E577-V581 HydrophobicContact CG-CG2 4.15Å; E577-V581 WeakPolarHBondContact O-CB 3.39Å; E577-V581 WeakPolarHBondContact O-CG2 3.4Å; E577-V581 PolarHBondContact O-N 2.85Å; V581-Q585 HydrophobicContact CG1-CG 3.98Å; V581-Q585 VanDerWaalsContact CG1-NE2 3.27Å; V581-Q585 WeakPolarHBondContact O-CA 3.44Å; V581-Q585 WeakPolarHBondContact O-CB 3.5Å; V581-Q585 WeakPolarHBondContact O-CG 3.3Å; V581-Q585 PolarHBondContact O-N 2.75Å |
| 582 | L | 41.1 | Very low | 42 | Very low | 41 Ų | 41 | 86.1 Ų | 86.1 | 22% | 0.215 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 176.4 | -163 | 89.3 | 0 | 0 | 0 | 111.8 | S578 Q585 M586 | S578-L582 WeakPolarHBondContact O-CA 3.43Å; S578-L582 WeakPolarHBondContact O-CB 3.4Å; S578-L582 PolarHBondContact O-N 3.49Å; L582-Q585 PolarHBondContact O-N 3.08Å; L582-M586 HydrophobicContact CG-CG 4.18Å; L582-M586 WeakPolarHBondContact O-CB 3.39Å; L582-M586 VanDerWaalsContact O-CG 3.28Å; L582-M586 WeakPolarHBondContact O-CG 3.44Å; L582-M586 PolarHBondContact O-N 3.15Å |
| 583 | N | 44.3 | Very low | 41.6 | Very low | 107 Ų | 107 | 87.1 Ų | 87.1 | 57% | 0.572 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -70.3 | -37.4 | 177.3 | -78.5 | -18.9 | 0 | 0 | 0 | 112.2 | L579 S587 | L579-N583 VanDerWaalsContact O-CB 3.24Å; L579-N583 WeakPolarHBondContact O-CB 2.95Å; L579-N583 PolarHBondContact O-N 2.8Å; N583-S587 PolarHBondContact O-N 3.23Å; N583-S587 VanDerWaalsContact O-N 3.11Å |
| 584 | A | 44.7 | Very low | 41.1 | Very low | 39 Ų | 39 | 90 Ų | 90 | 32% | 0.322 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.3 | -51.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | R580 S587 Y590 | R580-A584 WeakPolarHBondContact O-CB 3.47Å; R580-A584 PolarHBondContact O-N 2.78Å; A584-S587 VanDerWaalsContact O-CB 3.26Å; A584-S587 WeakPolarHBondContact O-CB 3.29Å; A584-S587 PolarHBondContact O-N 3.11Å; A584-S587 VanDerWaalsContact O-N 3.16Å; A584-S587 PolarHBondContact O-OG 2.8Å; A584-Y590 HydrophobicContact CB-CD2 4.17Å; A584-Y590 WeakPolarHBondContact O-CB 3.36Å |
| 585 | Q | 38.8 | Very low | 40.3 | Very low | 41 Ų | 41 | 90.1 Ų | 90.1 | 19% | 0.192 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -67 | -37 | -175.9 | -75.5 | -178.7 | -3.8 | 0 | 0 | 114.6 | V581 L582 S587 Y590 C591 | V581-Q585 HydrophobicContact CG1-CG 3.98Å; V581-Q585 VanDerWaalsContact CG1-NE2 3.27Å; V581-Q585 WeakPolarHBondContact O-CA 3.44Å; V581-Q585 WeakPolarHBondContact O-CB 3.5Å; V581-Q585 WeakPolarHBondContact O-CG 3.3Å; V581-Q585 PolarHBondContact O-N 2.75Å; L582-Q585 PolarHBondContact O-N 3.08Å; Q585-S587 VanDerWaalsContact C-N 3.31Å; Q585-Y590 VanDerWaalsContact CA-CD1 3.46Å; Q585-Y590 HydrophobicContact CB-CD1 4.02Å; Q585-Y590 HydrophobicContact CB-CE1 4.14Å; Q585-Y590 HydrophobicContact CG-CD1 3.64Å; Q585-Y590 HydrophobicContact CG-CE1 3.28Å; Q585-Y590 HydrophobicContact CG-CE2 4.17Å; Q585-Y590 HydrophobicContact CG-CG 4.3Å; Q585-Y590 PolarHBondContact NE2-OH 3.35Å; Q585-C591 PolarHBondContact O-SG 3.26Å |
| 586 | M | 34.1 | Very low | 39.5 | Very low | 136 Ų | 136 | 84.3 Ų | 84.3 | 67% | 0.67 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -83.2 | -8.4 | 175.7 | -67.3 | -141.8 | 79 | 0 | 0 | 112.7 | L582 P588 | L582-M586 HydrophobicContact CG-CG 4.18Å; L582-M586 WeakPolarHBondContact O-CB 3.39Å; L582-M586 VanDerWaalsContact O-CG 3.28Å; L582-M586 WeakPolarHBondContact O-CG 3.44Å; L582-M586 PolarHBondContact O-N 3.15Å; M586-P588 WeakPolarHBondContact O-CD 3.28Å |
| 587 | S | 40.4 | Very low | 38.4 | Very low | 43 Ų | 43 | 78.4 Ų | 78.4 | 30% | 0.301 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -60.6 | 128.5 | 164.4 | 81.4 | 0 | 0 | 0 | 0 | 107.5 | N583 A584 Q585 A589 Y590 C591 | N583-S587 PolarHBondContact O-N 3.23Å; N583-S587 VanDerWaalsContact O-N 3.11Å; A584-S587 VanDerWaalsContact O-CB 3.26Å; A584-S587 WeakPolarHBondContact O-CB 3.29Å; A584-S587 PolarHBondContact O-N 3.11Å; A584-S587 VanDerWaalsContact O-N 3.16Å; A584-S587 PolarHBondContact O-OG 2.8Å; Q585-S587 VanDerWaalsContact C-N 3.31Å; S587-A589 PolarHBondContact O-N 3.24Å; S587-Y590 PolarHBondContact O-N 2.82Å; S587-Y590 WeakPolarHBondContact OG-CB 3.39Å; S587-Y590 PolarHBondContact OG-N 3.3Å; S587-Y590 VanDerWaalsContact OG-N 3.13Å; S587-C591 PolarHBondContact O-N 3.49Å; S587-C591 VanDerWaalsContact O-N 3.16Å |
| 588 | P | 36 | Very low | 37.9 | Very low | 92 Ų | 92 | 82.1 Ų | 82.1 | 60% | 0.597 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -49.9 | -36.4 | 176 | -29.1 | 35.5 | 0 | 0 | 0 | 111.6 | M586 Y590 C591 E592 | M586-P588 WeakPolarHBondContact O-CD 3.28Å; P588-Y590 PolarHBondContact O-N 2.93Å; P588-C591 PolarHBondContact O-N 3.36Å; P588-E592 WeakPolarHBondContact O-CB 3.44Å; P588-E592 WeakPolarHBondContact O-CG 3.44Å; P588-E592 PolarHBondContact O-N 3.31Å |
| 589 | A | 38.4 | Very low | 37.3 | Very low | 67 Ų | 67 | 89.7 Ų | 89.7 | 55% | 0.554 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.5 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | S587 E592 S593 | S587-A589 PolarHBondContact O-N 3.24Å; A589-E592 PolarHBondContact O-N 2.69Å; A589-S593 WeakPolarHBondContact O-CB 3.35Å; A589-S593 PolarHBondContact O-N 2.92Å |
| 590 | Y | 37.5 | Very low | 36.7 | Very low | 72 Ų | 72 | 89.2 Ų | 89.2 | 28% | 0.282 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -76 | -42.3 | 177.3 | -175.1 | -70.7 | 0 | 0 | 0 | 111.9 | A584 Q585 S587 P588 E592 S593 E594 | A584-Y590 HydrophobicContact CB-CD2 4.17Å; A584-Y590 WeakPolarHBondContact O-CB 3.36Å; Q585-Y590 VanDerWaalsContact CA-CD1 3.46Å; Q585-Y590 HydrophobicContact CB-CD1 4.02Å; Q585-Y590 HydrophobicContact CB-CE1 4.14Å; Q585-Y590 HydrophobicContact CG-CD1 3.64Å; Q585-Y590 HydrophobicContact CG-CE1 3.28Å; Q585-Y590 HydrophobicContact CG-CE2 4.17Å; Q585-Y590 HydrophobicContact CG-CG 4.3Å; Q585-Y590 PolarHBondContact NE2-OH 3.35Å; S587-Y590 PolarHBondContact O-N 2.82Å; S587-Y590 WeakPolarHBondContact OG-CB 3.39Å; S587-Y590 PolarHBondContact OG-N 3.3Å; S587-Y590 VanDerWaalsContact OG-N 3.13Å; P588-Y590 PolarHBondContact O-N 2.93Å; Y590-E592 PolarHBondContact O-N 3.08Å; Y590-S593 PolarHBondContact O-N 3.44Å; Y590-S593 PolarHBondContact O-OG 2.87Å; Y590-E594 HydrophobicContact CD1-CB 4.28Å; Y590-E594 HydrophobicContact CD1-CG 4.1Å; Y590-E594 HydrophobicContact CE1-CB 3.89Å; Y590-E594 HydrophobicContact CE1-CG 3.5Å; Y590-E594 HydrophobicContact CE2-CG 4.42Å; Y590-E594 PolarHBondContact O-N 2.87Å |
| 591 | C | 30.2 | Very low | 36 | Very low | 62 Ų | 62 | 85.2 Ų | 85.2 | 42% | 0.419 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -54.9 | -37.4 | 171.4 | -89.3 | 0 | 0 | 0 | 0 | 110.5 | Q585 S587 P588 W595 | Q585-C591 PolarHBondContact O-SG 3.26Å; S587-C591 PolarHBondContact O-N 3.49Å; S587-C591 VanDerWaalsContact O-N 3.16Å; P588-C591 PolarHBondContact O-N 3.36Å; C591-W595 CarbonylContact O-C 3.25Å; C591-W595 VanDerWaalsContact O-CA 3.31Å; C591-W595 WeakPolarHBondContact O-CA 3.23Å; C591-W595 VanDerWaalsContact O-CB 3.22Å; C591-W595 WeakPolarHBondContact O-CB 3.47Å; C591-W595 PolarHBondContact O-N 3.33Å |
| 592 | E | 34.2 | Very low | 35.4 | Very low | 106 Ų | 106 | 87.8 Ų | 87.8 | 50% | 0.495 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -75 | -35.6 | 177.6 | -73.9 | 169.3 | -172.8 | 0 | 0 | 113.5 | P588 A589 Y590 G596 N597 | P588-E592 WeakPolarHBondContact O-CB 3.44Å; P588-E592 WeakPolarHBondContact O-CG 3.44Å; P588-E592 PolarHBondContact O-N 3.31Å; A589-E592 PolarHBondContact O-N 2.69Å; Y590-E592 PolarHBondContact O-N 3.08Å; E592-G596 WeakPolarHBondContact O-CA 3.21Å; E592-G596 PolarHBondContact O-N 2.83Å; E592-N597 HydrophobicContact CG-CB 4.41Å |
| 593 | S | 37.2 | Very low | 34.6 | Very low | 86 Ų | 86 | 92 Ų | 92 | 60% | 0.601 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -76.2 | -38.9 | -179.9 | 73.3 | 0 | 0 | 0 | 0 | 113.6 | A589 Y590 | A589-S593 WeakPolarHBondContact O-CB 3.35Å; A589-S593 PolarHBondContact O-N 2.92Å; Y590-S593 PolarHBondContact O-N 3.44Å; Y590-S593 PolarHBondContact O-OG 2.87Å |
| 594 | E | 29.3 | Very low | 33.7 | Very low | 129 Ų | 129 | 92.3 Ų | 92.3 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -93.2 | -37.3 | -178.5 | -76.5 | -63 | 134.6 | 0 | 0 | 112.8 | Y590 | Y590-E594 HydrophobicContact CD1-CB 4.28Å; Y590-E594 HydrophobicContact CD1-CG 4.1Å; Y590-E594 HydrophobicContact CE1-CB 3.89Å; Y590-E594 HydrophobicContact CE1-CG 3.5Å; Y590-E594 HydrophobicContact CE2-CG 4.42Å; Y590-E594 PolarHBondContact O-N 2.87Å |
| 595 | W | 28.8 | Very low | 32.7 | Very low | 133 Ų | 133 | 95.4 Ų | 95.4 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -108.8 | 14 | -173.5 | -61.6 | 81.3 | 0 | 0 | 0 | 114 | C591 Y598 | C591-W595 CarbonylContact O-C 3.25Å; C591-W595 VanDerWaalsContact O-CA 3.31Å; C591-W595 WeakPolarHBondContact O-CA 3.23Å; C591-W595 VanDerWaalsContact O-CB 3.22Å; C591-W595 WeakPolarHBondContact O-CB 3.47Å; C591-W595 PolarHBondContact O-N 3.33Å; W595-Y598 WeakPolarHBondContact O-CE2 3.38Å |
| 596 | G | 29.9 | Very low | 32.3 | Very low | 43 Ų | 43 | 102 Ų | 102 | 44% | 0.443 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 43 | 93.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E592 Y598 | E592-G596 WeakPolarHBondContact O-CA 3.21Å; E592-G596 PolarHBondContact O-N 2.83Å; G596-Y598 PolarHBondContact O-N 2.89Å |
| 597 | N | 26.7 | Very low | 31.8 | Very low | 56 Ų | 56 | 99.3 Ų | 99.3 | 30% | 0.299 | 53% | 0.525 | S | S | . | . | trans | -29.1 | 102.1 | 176.5 | -174 | -14.6 | 0 | 0 | 0 | 111.6 | E592 E599 N600 | E592-N597 HydrophobicContact CG-CB 4.41Å; N597-E599 PolarHBondContact O-N 3.45Å; N597-E599 VanDerWaalsContact O-N 3.11Å; N597-E599 PolarHBondContact OD1-N 2.65Å; N597-N600 HydrophobicContact CB-CB 3.94Å; N597-N600 PolarHBondContact ND2-ND2 2.99Å; N597-N600 CarbonylContact O-C 3.55Å; N597-N600 WeakPolarHBondContact O-CA 3.34Å; N597-N600 PolarHBondContact O-N 2.71Å; N597-N600 PolarHBondContact OD1-N 2.88Å | ||
| 598 | Y | 36.8 | Very low | 31.4 | Very low | 165 Ų | 165 | 100.3 Ų | 100.3 | 65% | 0.647 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -13.2 | -173.7 | -81.1 | -89.9 | 0 | 0 | 0 | 111.9 | W595 G596 | W595-Y598 WeakPolarHBondContact O-CE2 3.38Å; G596-Y598 PolarHBondContact O-N 2.89Å |
| 599 | E | 32.7 | Very low | 31.8 | Very low | 164 Ų | 164 | 97.9 Ų | 97.9 | 77% | 0.766 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -24.5 | 169.6 | -60.8 | -165.2 | 154.2 | 0 | 0 | 112.1 | N597 D601 T602 | N597-E599 PolarHBondContact O-N 3.45Å; N597-E599 VanDerWaalsContact O-N 3.11Å; N597-E599 PolarHBondContact OD1-N 2.65Å; E599-D601 PolarHBondContact O-N 3.44Å; E599-T602 VanDerWaalsContact O-CG2 3.26Å; E599-T602 WeakPolarHBondContact O-CG2 3.46Å; E599-T602 PolarHBondContact O-OG1 2.75Å |
| 600 | N | 32.2 | Very low | 32 | Very low | 80 Ų | 80 | 98.4 Ų | 98.4 | 43% | 0.428 | 51% | 0.511 | S | S | . | . | trans | -92.4 | 24.1 | 175.5 | -75.9 | -9.5 | 0 | 0 | 0 | 116.4 | N597 T602 N603 | N597-N600 HydrophobicContact CB-CB 3.94Å; N597-N600 PolarHBondContact ND2-ND2 2.99Å; N597-N600 CarbonylContact O-C 3.55Å; N597-N600 WeakPolarHBondContact O-CA 3.34Å; N597-N600 PolarHBondContact O-N 2.71Å; N597-N600 PolarHBondContact OD1-N 2.88Å; N600-T602 VanDerWaalsContact CA-OG1 3.32Å; N600-T602 WeakPolarHBondContact CA-OG1 3.5Å; N600-T602 PolarHBondContact O-N 2.84Å; N600-T602 PolarHBondContact OD1-OG1 3.37Å; N600-T602 VanDerWaalsContact OD1-OG1 3.11Å; N600-N603 PolarHBondContact O-N 3.09Å | ||
| 601 | D | 36 | Very low | 32.1 | Very low | 98 Ų | 98 | 101.6 Ų | 101.6 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 3.5 | 147.3 | -134.8 | 19.4 | 0 | 0 | 0 | 111.2 | E599 K714 | E599-D601 PolarHBondContact O-N 3.44Å; D601-K714 IonicContact OD2-NZ 3.68Å; D601-K714 PolarHBondContact OD2-NZ 2.82Å |
| 602 | T | 33.6 | Very low | 32.2 | Very low | 84 Ų | 84 | 106 Ų | 106 | 52% | 0.515 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -21.9 | 176.2 | 52.1 | 0 | 0 | 0 | 0 | 115.2 | E599 N600 | E599-T602 VanDerWaalsContact O-CG2 3.26Å; E599-T602 WeakPolarHBondContact O-CG2 3.46Å; E599-T602 PolarHBondContact O-OG1 2.75Å; N600-T602 VanDerWaalsContact CA-OG1 3.32Å; N600-T602 WeakPolarHBondContact CA-OG1 3.5Å; N600-T602 PolarHBondContact O-N 2.84Å; N600-T602 PolarHBondContact OD1-OG1 3.37Å; N600-T602 VanDerWaalsContact OD1-OG1 3.11Å |
| 603 | N | 24.5 | Very low | 32 | Very low | 129 Ų | 129 | 107.3 Ų | 107.3 | 69% | 0.69 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -92.3 | 3.9 | -177.7 | -84.5 | -4.1 | 0 | 0 | 0 | 115 | N600 V605 | N600-N603 PolarHBondContact O-N 3.09Å; N603-V605 VanDerWaalsContact C-N 3.29Å; N603-V605 PolarHBondContact O-N 3.17Å |
| 604 | L | 25.9 | Very low | 32 | Very low | 113 Ų | 113 | 107.3 Ų | 107.3 | 59% | 0.592 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -87.9 | 86.1 | 145.7 | -72.5 | 167 | 0 | 0 | 0 | 106.1 | Y606 | L604-Y606 HydrophobicContact CB-CD2 4.13Å; L604-Y606 HydrophobicContact CB-CE2 3.91Å; L604-Y606 WeakPolarHBondContact O-CD2 3.4Å; L604-Y606 PolarHBondContact O-N 3.44Å |
| 605 | V | 24 | Very low | 32.3 | Very low | 105 Ų | 105 | 105.5 Ų | 105.5 | 64% | 0.636 | 54% | 0.539 | S | S | * | . | trans | -53.1 | 97.5 | 149.3 | 178.6 | 0 | 0 | 0 | 0 | 104.2 | N603 D607 | N603-V605 VanDerWaalsContact C-N 3.29Å; N603-V605 PolarHBondContact O-N 3.17Å; V605-D607 WeakPolarHBondContact CG1-OD2 3.33Å; V605-D607 PolarHBondContact O-N 3.26Å | ||
| 606 | Y | 29.3 | Very low | 32.7 | Very low | 179 Ų | 179 | 102.6 Ų | 102.6 | 70% | 0.702 | 54% | 0.543 | S | S | * | . | trans | -71.1 | 71.6 | 171.1 | -75.2 | -89.4 | 0 | 0 | 0 | 106.9 | L604 | L604-Y606 HydrophobicContact CB-CD2 4.13Å; L604-Y606 HydrophobicContact CB-CE2 3.91Å; L604-Y606 WeakPolarHBondContact O-CD2 3.4Å; L604-Y606 PolarHBondContact O-N 3.44Å | ||
| 607 | D | 25.2 | Very low | 33.1 | Very low | 80 Ų | 80 | 103.5 Ų | 103.5 | 43% | 0.428 | 54% | 0.54 | S | S | . | . | trans | -70.2 | 115.7 | 148.2 | -75.8 | -39.8 | 0 | 0 | 0 | 104.8 | V605 | V605-D607 WeakPolarHBondContact CG1-OD2 3.33Å; V605-D607 PolarHBondContact O-N 3.26Å | ||
| 608 | N | 31.9 | Very low | 33.7 | Very low | 64 Ų | 64 | 102.3 Ų | 102.3 | 34% | 0.342 | 53% | 0.534 | S | S | . | . | cis | -171.8 | -176.1 | 13 | -131.2 | -15.5 | 0 | 0 | 0 | 110.2 | S243 | S243-N608 WeakPolarHBondContact CB-OD1 3.42Å; S243-N608 PolarHBondContact OG-OD1 3.4Å | ||
| 609 | P | 43.7 | Very low | 33.9 | Very low | 41 Ų | 41 | 97 Ų | 97 | 27% | 0.266 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -64.7 | 151.5 | 157.6 | 36.4 | -33.3 | 0 | 0 | 0 | 109.1 | L248 | L248-P609 HydrophobicContact CB-CG 4.44Å; L248-P609 HydrophobicContact CD1-CB 3.73Å; L248-P609 HydrophobicContact CD1-CG 3.38Å; L248-P609 HydrophobicContact CD2-CB 4.41Å; L248-P609 HydrophobicContact CG-CB 3.69Å; L248-P609 HydrophobicContact CG-CG 3.6Å |
| 610 | S | 42.9 | Very low | 34.4 | Very low | 77 Ų | 77 | 95 Ų | 95 | 54% | 0.538 | 51% | 0.511 | S | S | . | . | S | Bend | trans | 55.9 | 98.1 | -177.3 | 58 | 0 | 0 | 0 | 0 | 115 | E612 | S610-E612 PolarHBondContact O-N 3.22Š|
| 611 | Y | 39 | Very low | 35 | Very low | 139 Ų | 139 | 92.1 Ų | 92.1 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | S | Bend | trans | 6.7 | 100.5 | 156.9 | -115.1 | -100.1 | 0 | 0 | 0 | 115.5 | N618 | Y611-N618 HydrophobicContact CE1-CB 4.27Å; Y611-N618 VanDerWaalsContact CE1-ND2 3.32Å; Y611-N618 WeakPolarHBondContact CE1-ND2 3.38Å; Y611-N618 VanDerWaalsContact OH-CG 3.26Å; Y611-N618 PolarHBondContact OH-ND2 3.43Å; Y611-N618 PolarHBondContact OH-OD1 3.1Å |
| 612 | E | 32.1 | Very low | 35.5 | Very low | 156 Ų | 156 | 93.4 Ų | 93.4 | 73% | 0.729 | 49% | 0.493 | S | S | * | . | trans | 169.2 | 75.5 | 152.1 | -98.3 | 173.3 | -161.7 | 0 | 0 | 107.6 | S610 | S610-E612 PolarHBondContact O-N 3.22Š| ||
| 613 | D | 29.7 | Very low | 36.2 | Very low | 133 Ų | 133 | 94.3 Ų | 94.3 | 71% | 0.711 | 50% | 0.495 | S | S | * | . | S | Bend | trans | 176.4 | 63.2 | 146.2 | -88.8 | -21.3 | 0 | 0 | 0 | 108.8 | ||
| 614 | D | 37 | Very low | 37.5 | Very low | 86 Ų | 86 | 90.9 Ų | 90.9 | 46% | 0.46 | 47% | 0.474 | S | S | . | . | trans | -155.7 | 42.6 | 150.3 | -139 | -13.8 | 0 | 0 | 0 | 107.4 | A616 T617 N618 | D614-A616 PolarHBondContact O-N 3.26Å; D614-A616 VanDerWaalsContact O-N 3.12Å; D614-T617 VanDerWaalsContact CG-CB 3.45Å; D614-T617 VanDerWaalsContact CG-OG1 3.22Å; D614-T617 PolarHBondContact O-N 3.44Å; D614-T617 VanDerWaalsContact OD1-CB 3.32Å; D614-T617 WeakPolarHBondContact OD1-CB 3.15Å; D614-T617 PolarHBondContact OD1-OG1 3.32Å; D614-T617 WeakPolarHBondContact OD2-CB 3.4Å; D614-T617 PolarHBondContact OD2-OG1 3.06Å; D614-N618 PolarHBondContact O-N 3.14Å | ||
| 615 | V | 35.5 | Very low | 38.6 | Very low | 90 Ų | 90 | 87 Ų | 87 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -54 | -34.9 | -178 | 179.4 | 0 | 0 | 0 | 0 | 109.1 | T619 | V615-T619 WeakPolarHBondContact CG1-OG1 3.17Å; V615-T619 WeakPolarHBondContact O-CA 3.34Å; V615-T619 WeakPolarHBondContact O-CB 3.42Å; V615-T619 PolarHBondContact O-N 3.21Å; V615-T619 PolarHBondContact O-OG1 3.09Å |
| 616 | A | 38.7 | Very low | 39.7 | Very low | 73 Ų | 73 | 85.5 Ų | 85.5 | 60% | 0.603 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -62.9 | -49.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D614 M620 | D614-A616 PolarHBondContact O-N 3.26Å; D614-A616 VanDerWaalsContact O-N 3.12Å; A616-M620 WeakPolarHBondContact O-CB 3.25Å; A616-M620 VanDerWaalsContact O-CG 3.25Å; A616-M620 WeakPolarHBondContact O-CG 3.43Å; A616-M620 PolarHBondContact O-N 2.88Å |
| 617 | T | 38.5 | Very low | 41 | Very low | 62 Ų | 62 | 78.6 Ų | 78.6 | 38% | 0.38 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -74.4 | -41.2 | -177.1 | -50 | 0 | 0 | 0 | 0 | 112.5 | D614 M620 I621 | D614-T617 VanDerWaalsContact CG-CB 3.45Å; D614-T617 VanDerWaalsContact CG-OG1 3.22Å; D614-T617 PolarHBondContact O-N 3.44Å; D614-T617 VanDerWaalsContact OD1-CB 3.32Å; D614-T617 WeakPolarHBondContact OD1-CB 3.15Å; D614-T617 PolarHBondContact OD1-OG1 3.32Å; D614-T617 WeakPolarHBondContact OD2-CB 3.4Å; D614-T617 PolarHBondContact OD2-OG1 3.06Å; T617-M620 PolarHBondContact O-N 3.2Å; T617-I621 HydrophobicContact CG2-CD1 3.97Å; T617-I621 WeakPolarHBondContact O-CB 3.39Å; T617-I621 WeakPolarHBondContact O-CG1 3.33Å; T617-I621 PolarHBondContact O-N 3.34Å |
| 618 | N | 38 | Very low | 42.8 | Very low | 30 Ų | 30 | 74.9 Ų | 74.9 | 16% | 0.16 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -73.6 | -33.6 | 175.8 | -88.5 | -35.1 | 0 | 0 | 0 | 112.7 | Y611 D614 R622 | Y611-N618 HydrophobicContact CE1-CB 4.27Å; Y611-N618 VanDerWaalsContact CE1-ND2 3.32Å; Y611-N618 WeakPolarHBondContact CE1-ND2 3.38Å; Y611-N618 VanDerWaalsContact OH-CG 3.26Å; Y611-N618 PolarHBondContact OH-ND2 3.43Å; Y611-N618 PolarHBondContact OH-OD1 3.1Å; D614-N618 PolarHBondContact O-N 3.14Å; N618-R622 WeakPolarHBondContact O-CB 3.33Å; N618-R622 VanDerWaalsContact O-CG 3.3Å; N618-R622 WeakPolarHBondContact O-CG 3.35Å; N618-R622 PolarHBondContact O-N 3.01Å |
| 619 | T | 42.2 | Very low | 44.5 | Very low | 54 Ų | 54 | 76.6 Ų | 76.6 | 33% | 0.331 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -73 | -37.4 | 171.7 | -53.6 | 0 | 0 | 0 | 0 | 110 | V615 R622 N623 | V615-T619 WeakPolarHBondContact CG1-OG1 3.17Å; V615-T619 WeakPolarHBondContact O-CA 3.34Å; V615-T619 WeakPolarHBondContact O-CB 3.42Å; V615-T619 PolarHBondContact O-N 3.21Å; V615-T619 PolarHBondContact O-OG1 3.09Å; T619-R622 PolarHBondContact O-N 3.04Å; T619-N623 WeakPolarHBondContact O-CA 3.39Å; T619-N623 WeakPolarHBondContact O-CB 3.4Å; T619-N623 PolarHBondContact O-N 2.92Å; T619-N623 PolarHBondContact O-ND2 3.31Å; T619-N623 PolarHBondContact O-OD1 3.43Å |
| 620 | M | 41.6 | Very low | 45.5 | Very low | 122 Ų | 122 | 76.1 Ų | 76.1 | 60% | 0.601 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.2 | -47.6 | 169.2 | -85.9 | -166.2 | 170.7 | 0 | 0 | 111.6 | A616 T617 N623 E624 | A616-M620 WeakPolarHBondContact O-CB 3.25Å; A616-M620 VanDerWaalsContact O-CG 3.25Å; A616-M620 WeakPolarHBondContact O-CG 3.43Å; A616-M620 PolarHBondContact O-N 2.88Å; T617-M620 PolarHBondContact O-N 3.2Å; M620-N623 PolarHBondContact O-N 3.42Å; M620-E624 VanDerWaalsContact O-CB 3.25Å; M620-E624 WeakPolarHBondContact O-CB 3.23Å; M620-E624 WeakPolarHBondContact O-CG 3.29Å; M620-E624 PolarHBondContact O-N 3.37Å |
| 621 | I | 46.3 | Very low | 46.9 | Very low | 20 Ų | 20 | 72.6 Ų | 72.6 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 179.2 | -68.5 | 168.7 | 0 | 0 | 0 | 110.8 | W430 S433 T617 E624 L625 | W430-I621 HydrophobicContact CZ3-CG2 4.3Å; S433-I621 WeakPolarHBondContact OG-CD1 3.34Å; T617-I621 HydrophobicContact CG2-CD1 3.97Å; T617-I621 WeakPolarHBondContact O-CB 3.39Å; T617-I621 WeakPolarHBondContact O-CG1 3.33Å; T617-I621 PolarHBondContact O-N 3.34Å; I621-E624 CarbonylContact O-C 3.59Å; I621-E624 PolarHBondContact O-N 2.94Å; I621-L625 HydrophobicContact CG2-CD1 3.86Å; I621-L625 HydrophobicContact CG2-CG 4.13Å; I621-L625 WeakPolarHBondContact O-CB 3.4Å; I621-L625 WeakPolarHBondContact O-CG 3.43Å; I621-L625 PolarHBondContact O-N 3.24Å |
| 622 | R | 45.6 | Very low | 48.8 | Very low | 125 Ų | 125 | 66.3 Ų | 66.3 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 173.2 | -79.9 | -177.9 | -169.6 | 159.5 | -0.6 | 112 | N618 T619 L625 A626 | N618-R622 WeakPolarHBondContact O-CB 3.33Å; N618-R622 VanDerWaalsContact O-CG 3.3Å; N618-R622 WeakPolarHBondContact O-CG 3.35Å; N618-R622 PolarHBondContact O-N 3.01Å; T619-R622 PolarHBondContact O-N 3.04Å; R622-L625 PolarHBondContact O-N 3.07Å; R622-A626 VanDerWaalsContact O-CB 3.24Å; R622-A626 WeakPolarHBondContact O-CB 3.45Å; R622-A626 PolarHBondContact O-N 2.87Å |
| 623 | N | 47.4 | Very low | 50.9 | Low | 103 Ų | 103 | 62.9 Ų | 62.9 | 55% | 0.551 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.9 | -38.7 | 175.6 | -70.5 | -11.4 | 0 | 0 | 0 | 111 | T619 M620 S627 | T619-N623 WeakPolarHBondContact O-CA 3.39Å; T619-N623 WeakPolarHBondContact O-CB 3.4Å; T619-N623 PolarHBondContact O-N 2.92Å; T619-N623 PolarHBondContact O-ND2 3.31Å; T619-N623 PolarHBondContact O-OD1 3.43Å; M620-N623 PolarHBondContact O-N 3.42Å; N623-S627 WeakPolarHBondContact O-CB 3.37Å; N623-S627 PolarHBondContact O-N 2.99Å |
| 624 | E | 51.9 | Low | 53.2 | Low | 57 Ų | 57 | 56.7 Ų | 56.7 | 27% | 0.266 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 171.7 | -76.8 | -177.3 | 165 | 0 | 0 | 110.4 | W430 R506 M620 I621 A626 S627 L628 | W430-E624 HydrophobicContact CH2-CB 4.43Å; W430-E624 WeakPolarHBondContact CZ3-OE2 3.33Å; R506-E624 IonicContact CZ-OE1 3.67Å; R506-E624 IonicContact NH1-OE1 3.18Å; R506-E624 IonicContact NH2-OE1 3.45Å; R506-E624 PolarHBondContact NH2-OE1 2.99Å; M620-E624 VanDerWaalsContact O-CB 3.25Å; M620-E624 WeakPolarHBondContact O-CB 3.23Å; M620-E624 WeakPolarHBondContact O-CG 3.29Å; M620-E624 PolarHBondContact O-N 3.37Å; I621-E624 CarbonylContact O-C 3.59Å; I621-E624 PolarHBondContact O-N 2.94Å; E624-A626 PolarHBondContact O-N 3.29Å; E624-S627 WeakPolarHBondContact CA-OG 3.43Å; E624-S627 CarbonylContact O-C 3.55Å; E624-S627 WeakPolarHBondContact O-CA 3.08Å; E624-S627 WeakPolarHBondContact O-CB 3.38Å; E624-S627 PolarHBondContact O-N 2.95Å; E624-S627 VanDerWaalsContact O-N 3.08Å; E624-S627 PolarHBondContact O-OG 2.74Å; E624-L628 VanDerWaalsContact O-CG 3.32Å; E624-L628 WeakPolarHBondContact O-CG 3.3Å; E624-L628 PolarHBondContact O-N 2.95Å |
| 625 | L | 50 | Low | 55.3 | Low | 31 Ų | 31 | 52.7 Ų | 52.7 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 176.9 | -75.4 | 175.3 | 0 | 0 | 0 | 112.4 | R393 M396 W430 L434 I621 R622 S627 L628 | R393-L625 VanDerWaalsContact NH2-CD2 3.34Å; M396-L625 HydrophobicContact CE-CD2 3.51Å; M396-L625 HydrophobicContact CE-CG 4.43Å; W430-L625 HydrophobicContact CH2-CD2 3.91Å; W430-L625 HydrophobicContact CH2-CG 4.23Å; W430-L625 HydrophobicContact CZ2-CD2 3.47Å; W430-L625 VanDerWaalsContact CZ2-CD2 3.47Å; W430-L625 HydrophobicContact CZ2-CG 4.2Å; L434-L625 HydrophobicContact CD2-CD1 3.96Å; I621-L625 HydrophobicContact CG2-CD1 3.86Å; I621-L625 HydrophobicContact CG2-CG 4.13Å; I621-L625 WeakPolarHBondContact O-CB 3.4Å; I621-L625 WeakPolarHBondContact O-CG 3.43Å; I621-L625 PolarHBondContact O-N 3.24Å; R622-L625 PolarHBondContact O-N 3.07Å; L625-S627 VanDerWaalsContact C-N 3.25Å; L625-S627 PolarHBondContact O-N 3.25Å; L625-L628 HydrophobicContact CD2-CD1 4.03Å; L625-L628 WeakPolarHBondContact O-CB 3.42Å; L625-L628 PolarHBondContact O-N 2.99Å |
| 626 | A | 47 | Very low | 57.4 | Low | 74 Ų | 74 | 54.8 Ų | 54.8 | 61% | 0.612 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -62.7 | -33.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | R622 E624 L628 | R622-A626 VanDerWaalsContact O-CB 3.24Å; R622-A626 WeakPolarHBondContact O-CB 3.45Å; R622-A626 PolarHBondContact O-N 2.87Å; E624-A626 PolarHBondContact O-N 3.29Å; A626-L628 PolarHBondContact O-N 3.32Å |
| 627 | S | 56.4 | Low | 59.3 | Low | 33 Ų | 33 | 55.4 Ų | 55.4 | 23% | 0.231 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -8.3 | 172.1 | 77.3 | 0 | 0 | 0 | 0 | 114.4 | N623 E624 L625 | N623-S627 WeakPolarHBondContact O-CB 3.37Å; N623-S627 PolarHBondContact O-N 2.99Å; E624-S627 WeakPolarHBondContact CA-OG 3.43Å; E624-S627 CarbonylContact O-C 3.55Å; E624-S627 WeakPolarHBondContact O-CA 3.08Å; E624-S627 WeakPolarHBondContact O-CB 3.38Å; E624-S627 PolarHBondContact O-N 2.95Å; E624-S627 VanDerWaalsContact O-N 3.08Å; E624-S627 PolarHBondContact O-OG 2.74Å; L625-S627 VanDerWaalsContact C-N 3.25Å; L625-S627 PolarHBondContact O-N 3.25Å |
| 628 | L | 64.2 | Low | 61.6 | Low | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -0.2 | 178.6 | -62.5 | 171.3 | 0 | 0 | 0 | 113.6 | T380 N390 W430 E624 L625 A626 E630 L631 H658 P659 | T380-L628 HydrophobicContact CG2-CD1 4.22Å; N390-L628 PolarHBondContact ND2-O 2.89Å; N390-L628 VanDerWaalsContact ND2-O 3.1Å; W430-L628 HydrophobicContact CH2-CD1 4.19Å; W430-L628 HydrophobicContact CZ2-CD1 4.17Å; E624-L628 VanDerWaalsContact O-CG 3.32Å; E624-L628 WeakPolarHBondContact O-CG 3.3Å; E624-L628 PolarHBondContact O-N 2.95Å; L625-L628 HydrophobicContact CD2-CD1 4.03Å; L625-L628 WeakPolarHBondContact O-CB 3.42Å; L625-L628 PolarHBondContact O-N 2.99Å; A626-L628 PolarHBondContact O-N 3.32Å; L628-E630 PolarHBondContact O-N 2.98Å; L628-L631 HydrophobicContact CB-CD1 4.13Å; L628-L631 HydrophobicContact CB-CG 4.41Å; L628-L631 HydrophobicContact CD2-CD1 3.61Å; L628-L631 HydrophobicContact CD2-CG 3.95Å; L628-L631 HydrophobicContact CG-CD1 4.31Å; L628-L631 WeakPolarHBondContact O-CB 3.29Å; L628-L631 PolarHBondContact O-N 3.04Å; L628-L631 VanDerWaalsContact O-N 3.09Å; L628-H658 WeakPolarHBondContact CD2-NE2 3.35Å; L628-P659 HydrophobicContact CD2-CG 3.73Å |
| 629 | E | 65.9 | Low | 64.1 | Low | 99 Ų | 99 | 51.7 Ų | 51.7 | 46% | 0.463 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.3 | -23.4 | 165.5 | -159.5 | 57.2 | -149.8 | 0 | 0 | 111.1 | N390 L631 S632 | N390-E629 PolarHBondContact ND2-OE2 2.78Å; E629-L631 VanDerWaalsContact C-N 3.27Å; E629-L631 PolarHBondContact O-N 3Å; E629-S632 PolarHBondContact O-N 3.27Å; E629-S632 PolarHBondContact O-OG 3.2Å |
| 630 | E | 64.4 | Low | 66.6 | Low | 31 Ų | 31 | 49.1 Ų | 49.1 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.2 | -21.6 | 174.5 | -52.2 | -172.9 | 129.5 | 0 | 0 | 113.1 | R501 I502 L505 L628 Q633 A634 | R501-E630 IonicContact CZ-OE1 2.71Å; R501-E630 IonicContact NH1-OE1 3.07Å; R501-E630 IonicContact NH2-OE1 2.69Å; R501-E630 PolarHBondContact NH2-OE1 3.42Å; I502-E630 HydrophobicContact CD1-CB 3.76Å; I502-E630 HydrophobicContact CG1-CB 3.85Å; I502-E630 HydrophobicContact CG1-CG 4.45Å; I502-E630 WeakPolarHBondContact CG1-OE2 3.38Å; I502-E630 WeakPolarHBondContact CG2-OE2 3.29Å; L505-E630 WeakPolarHBondContact CD1-OE1 3.38Å; L628-E630 PolarHBondContact O-N 2.98Å; E630-Q633 PolarHBondContact O-N 3.21Å; E630-A634 PolarHBondContact O-N 2.87Å; E630-A634 VanDerWaalsContact O-N 3.17Å |
| 631 | L | 74.4 | Confident | 68.7 | Low | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.4 | -43.6 | 175.4 | -76.2 | 179.4 | 0 | 0 | 0 | 111.4 | F382 L628 E629 Q633 A634 G635 I641 P659 A660 | F382-L631 HydrophobicContact CE2-CB 4.01Å; F382-L631 HydrophobicContact CE2-CD1 4.15Å; F382-L631 HydrophobicContact CZ-CB 4Å; L628-L631 HydrophobicContact CB-CD1 4.13Å; L628-L631 HydrophobicContact CB-CG 4.41Å; L628-L631 HydrophobicContact CD2-CD1 3.61Å; L628-L631 HydrophobicContact CD2-CG 3.95Å; L628-L631 HydrophobicContact CG-CD1 4.31Å; L628-L631 WeakPolarHBondContact O-CB 3.29Å; L628-L631 PolarHBondContact O-N 3.04Å; L628-L631 VanDerWaalsContact O-N 3.09Å; E629-L631 VanDerWaalsContact C-N 3.27Å; E629-L631 PolarHBondContact O-N 3Å; L631-Q633 VanDerWaalsContact C-N 3.27Å; L631-Q633 PolarHBondContact O-N 3Å; L631-A634 PolarHBondContact O-N 3.13Å; L631-G635 PolarHBondContact O-N 2.96Å; L631-G635 VanDerWaalsContact O-N 3.13Å; L631-I641 HydrophobicContact CD2-CG2 3.56Å; L631-I641 WeakPolarHBondContact O-CD1 3.33Å; L631-P659 HydrophobicContact CD1-CG 4.4Å; L631-A660 HydrophobicContact CD2-CB 3.37Å; L631-A660 HydrophobicContact CG-CB 4.41Å |
| 632 | S | 77.4 | Confident | 70.7 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.1 | -34.1 | -179 | 63.8 | 0 | 0 | 0 | 0 | 111.4 | E629 G635 | E629-S632 PolarHBondContact O-N 3.27Å; E629-S632 PolarHBondContact O-OG 3.2Å; S632-G635 WeakPolarHBondContact O-CA 3.27Å; S632-G635 PolarHBondContact O-N 2.82Å; S632-G635 VanDerWaalsContact O-N 3.16Å |
| 633 | Q | 76.9 | Confident | 72.7 | Confident | 85 Ų | 85 | 36.9 Ų | 36.9 | 40% | 0.397 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 174.1 | -62.8 | 177.7 | 4.1 | 0 | 0 | 112 | E630 L631 G635 Q636 | E630-Q633 PolarHBondContact O-N 3.21Å; L631-Q633 VanDerWaalsContact C-N 3.27Å; L631-Q633 PolarHBondContact O-N 3Å; Q633-G635 PolarHBondContact O-N 2.82Å; Q633-Q636 WeakPolarHBondContact O-CB 3.49Å; Q633-Q636 PolarHBondContact O-N 2.93Å; Q633-Q636 VanDerWaalsContact O-N 3.15Å |
| 634 | A | 77 | Confident | 74.8 | Confident | 3 Ų | 3 | 32 Ų | 32 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.1 | -35.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L499 E630 L631 Q636 R637 C638 I641 | L499-A634 HydrophobicContact CD2-CB 3.95Å; E630-A634 PolarHBondContact O-N 2.87Å; E630-A634 VanDerWaalsContact O-N 3.17Å; L631-A634 PolarHBondContact O-N 3.13Å; A634-Q636 PolarHBondContact O-N 2.99Å; A634-Q636 VanDerWaalsContact O-N 3.13Å; A634-R637 PolarHBondContact O-N 2.88Å; A634-C638 PolarHBondContact O-N 3.34Å; A634-C638 VanDerWaalsContact O-N 3.16Å; A634-C638 PolarHBondContact O-SG 3.04Å; A634-I641 HydrophobicContact CB-CG1 4.47Å; A634-I641 HydrophobicContact CB-CG2 3.8Å |
| 635 | G | 81.6 | Confident | 76.8 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | L631 S632 Q633 R637 | L631-G635 PolarHBondContact O-N 2.96Å; L631-G635 VanDerWaalsContact O-N 3.13Å; S632-G635 WeakPolarHBondContact O-CA 3.27Å; S632-G635 PolarHBondContact O-N 2.82Å; S632-G635 VanDerWaalsContact O-N 3.16Å; Q633-G635 PolarHBondContact O-N 2.82Å; G635-R637 VanDerWaalsContact C-N 3.31Å |
| 636 | Q | 79.3 | Confident | 78.9 | Confident | 134 Ų | 134 | 28 Ų | 28 | 63% | 0.626 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.8 | 173.6 | -60.8 | -177.8 | 0.3 | 0 | 0 | 113.3 | H487 Q633 A634 | H487-Q636 PolarHBondContact ND1-O 3.32Å; Q633-Q636 WeakPolarHBondContact O-CB 3.49Å; Q633-Q636 PolarHBondContact O-N 2.93Å; Q633-Q636 VanDerWaalsContact O-N 3.15Å; A634-Q636 PolarHBondContact O-N 2.99Å; A634-Q636 VanDerWaalsContact O-N 3.13Å |
| 637 | R | 79.9 | Confident | 81.2 | Confident | 85 Ų | 85 | 24.6 Ų | 24.6 | 32% | 0.321 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -24.2 | -175.1 | -59.3 | -179.6 | 179.3 | 138.9 | 1 | 113.2 | H487 A490 V495 E498 A634 G635 | H487-R637 PolarHBondContact N-O 3.35Å; A490-R637 HydrophobicContact CB-CB 3.81Å; A490-R637 HydrophobicContact CB-CG 4.09Å; V495-R637 HydrophobicContact CG2-CB 3.75Å; E498-R637 VanDerWaalsContact CB-NH1 3.34Å; E498-R637 VanDerWaalsContact CG-NH1 3.29Å; E498-R637 IonicContact OE2-CZ 3.79Å; E498-R637 IonicContact OE2-NH1 3.4Å; E498-R637 PolarHBondContact OE2-NH1 3.02Å; A634-R637 PolarHBondContact O-N 2.88Å; G635-R637 VanDerWaalsContact C-N 3.31Å |
| 638 | C | 86.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | B | Isolated β-bridge | trans | -140.8 | 157.9 | -178.5 | 65.6 | 0 | 0 | 0 | 0 | 111.9 | D485 V495 A634 | D485-C638 WeakPolarHBondContact O-CA 3.21Å; D485-C638 WeakPolarHBondContact OD2-CB 3.33Å; V495-C638 HydrophobicContact CG1-CB 4.32Å; A634-C638 PolarHBondContact O-N 3.34Å; A634-C638 VanDerWaalsContact O-N 3.16Å; A634-C638 PolarHBondContact O-SG 3.04Å |
| 639 | T | 90.7 | Very high | 84.2 | Confident | 14 Ų | 14 | 25 Ų | 25 | 9% | 0.086 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -87.4 | -43.9 | -176.7 | -49.8 | 0 | 0 | 0 | 0 | 112.3 | R385 W476 R482 D485 H487 | R385-T639 VanDerWaalsContact CD-O 3.29Å; R385-T639 WeakPolarHBondContact CD-O 3.38Å; R385-T639 PolarHBondContact NE-O 3.04Å; W476-T639 HydrophobicContact CH2-CG2 4.41Å; W476-T639 HydrophobicContact CZ3-CG2 3.96Å; R482-T639 PolarHBondContact NH2-OG1 3.22Å; D485-T639 PolarHBondContact O-N 2.97Å; D485-T639 PolarHBondContact OD2-N 3.4Å; H487-T639 PolarHBondContact NE2-OG1 3.49Å |
| 640 | W | 93.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -103 | 114.3 | 175.2 | -64.9 | -103.4 | 0 | 0 | 0 | 108.8 | R385 W476 R482 D485 D644 Y645 R666 R671 | R385-W640 VanDerWaalsContact NH1-CD2 3.33Å; R385-W640 VanDerWaalsContact NH1-CG 3.27Å; W476-W640 HydrophobicContact CE3-CZ2 4.19Å; W476-W640 HydrophobicContact CZ3-CZ2 4.38Å; W476-W640 PolarHBondContact O-NE1 3.06Å; R482-W640 HydrophobicContact CB-CH2 4.2Å; D485-W640 HydrophobicContact CB-CD2 4.42Å; D485-W640 HydrophobicContact CB-CE3 3.15Å; D485-W640 HydrophobicContact CB-CZ3 3.36Å; D485-W640 PolarHBondContact OD2-N 2.99Å; W640-D644 HydrophobicContact CB-CB 4.15Å; W640-D644 VanDerWaalsContact CD1-O 3.31Å; W640-Y645 HydrophobicContact CB-CD2 4.31Å; W640-R666 PolarHBondContact O-NH1 2.88Å; W640-R666 PolarHBondContact O-NH2 3.42Å; W640-R671 VanDerWaalsContact CZ2-NE 3.29Å |
| 641 | I | 87.2 | Confident | 86.5 | Confident | 6 Ų | 6 | 24.8 Ų | 24.8 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | trans | -92.3 | 126 | -172.9 | -58 | 156.1 | 0 | 0 | 0 | 109.9 | F382 V387 L631 A634 Q643 D644 | F382-I641 HydrophobicContact CD2-CD1 3.97Å; F382-I641 HydrophobicContact CE2-CD1 3.83Å; F382-I641 HydrophobicContact CZ-CD1 4.49Å; V387-I641 HydrophobicContact CB-CD1 4.01Å; V387-I641 HydrophobicContact CG1-CD1 3.95Å; V387-I641 HydrophobicContact CG2-CD1 3.81Å; L631-I641 HydrophobicContact CD2-CG2 3.56Å; L631-I641 WeakPolarHBondContact O-CD1 3.33Å; A634-I641 HydrophobicContact CB-CG1 4.47Å; A634-I641 HydrophobicContact CB-CG2 3.8Å; I641-Q643 PolarHBondContact O-N 2.81Å; I641-D644 VanDerWaalsContact O-CB 3.23Å; I641-D644 WeakPolarHBondContact O-CB 3.46Å; I641-D644 PolarHBondContact O-N 3.46Å | ||
| 642 | G | 86.9 | Confident | 87 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | 61.8 | -126.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D644 Y645 P659 A660 L661 D662 | G642-D644 PolarHBondContact O-N 3.42Å; G642-Y645 PolarHBondContact O-N 3.18Å; G642-P659 CarbonylContact C-O 3.13Å; G642-P659 WeakPolarHBondContact CA-O 3.33Å; G642-A660 WeakPolarHBondContact CA-O 3.15Å; G642-L661 CarbonylContact C-O 3.53Å; G642-D662 WeakPolarHBondContact CA-OD1 3.33Å; G642-D662 PolarHBondContact N-OD1 2.69Å; G642-D662 VanDerWaalsContact O-OD1 3.11Å |
| 643 | Q | 88.4 | Confident | 87.4 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | G | 310 helix | trans | -63.6 | -14.4 | -179.2 | -64.2 | -168.2 | 49 | 0 | 0 | 113.5 | F473 I641 Y645 V646 T654 E657 H658 P659 L661 L663 | F473-Q643 HydrophobicContact CD2-CB 3.77Å; F473-Q643 HydrophobicContact CE2-CB 3.89Å; F473-Q643 HydrophobicContact CG-CB 4.4Å; I641-Q643 PolarHBondContact O-N 2.81Å; Q643-Y645 PolarHBondContact O-N 3.27Å; Q643-V646 WeakPolarHBondContact O-CB 3.33Å; Q643-T654 PolarHBondContact NE2-O 3.42Å; Q643-T654 PolarHBondContact OE1-O 3.03Å; Q643-E657 PolarHBondContact NE2-O 3.45Å; Q643-H658 PolarHBondContact NE2-O 2.94Å; Q643-P659 PolarHBondContact N-O 2.88Å; Q643-L661 WeakPolarHBondContact CG-O 3.49Å; Q643-L661 PolarHBondContact N-O 2.89Å; Q643-L663 HydrophobicContact CB-CD1 4.26Å; Q643-L663 HydrophobicContact CB-CG 4.39Å; Q643-L663 HydrophobicContact CG-CD1 4.01Å; Q643-L663 HydrophobicContact CG-CD2 3.98Å; Q643-L663 HydrophobicContact CG-CG 3.88Å |
| 644 | D | 92.6 | Very high | 87.3 | Confident | 2 Ų | 2 | 23.4 Ų | 23.4 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -68.6 | -25.4 | 173.8 | -149.4 | -3.6 | 0 | 0 | 0 | 111.8 | R385 F473 G474 W640 I641 G642 V646 | R385-D644 IonicContact CZ-OD2 2.82Å; R385-D644 IonicContact NH2-OD1 3.83Å; R385-D644 PolarHBondContact NH2-OD1 3.25Å; R385-D644 IonicContact NH2-OD2 2.8Å; R385-D644 PolarHBondContact NH2-OD2 3.18Å; F473-D644 WeakPolarHBondContact CA-OD1 3.36Å; F473-D644 HydrophobicContact CD1-CB 3.75Å; F473-D644 HydrophobicContact CE1-CB 4.33Å; F473-D644 HydrophobicContact CG-CB 4.39Å; G474-D644 PolarHBondContact N-OD1 2.9Å; W640-D644 HydrophobicContact CB-CB 4.15Å; W640-D644 VanDerWaalsContact CD1-O 3.31Å; I641-D644 VanDerWaalsContact O-CB 3.23Å; I641-D644 WeakPolarHBondContact O-CB 3.46Å; I641-D644 PolarHBondContact O-N 3.46Å; G642-D644 PolarHBondContact O-N 3.42Å; D644-V646 PolarHBondContact O-N 3.36Å |
| 645 | Y | 93.6 | Very high | 87 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -85.8 | 95.6 | 167.4 | -169 | -82.8 | 0 | 0 | 0 | 108.5 | L483 D485 W640 G642 Q643 V664 R666 V669 R671 | L483-Y645 PolarHBondContact O-OH 3.28Å; D485-Y645 HydrophobicContact CB-CD2 4.39Å; D485-Y645 HydrophobicContact CB-CE2 4.37Å; W640-Y645 HydrophobicContact CB-CD2 4.31Å; G642-Y645 PolarHBondContact O-N 3.18Å; Q643-Y645 PolarHBondContact O-N 3.27Å; Y645-V664 HydrophobicContact CD1-CG2 3.87Å; Y645-V664 HydrophobicContact CE1-CG2 3.97Å; Y645-R666 HydrophobicContact CD1-CB 3.72Å; Y645-R666 HydrophobicContact CD2-CB 4.44Å; Y645-R666 HydrophobicContact CE1-CB 3.46Å; Y645-R666 VanDerWaalsContact CE1-CB 3.46Å; Y645-R666 HydrophobicContact CE2-CB 4.22Å; Y645-R666 HydrophobicContact CG-CB 4.22Å; Y645-V669 WeakPolarHBondContact CE1-O 3.34Å; Y645-V669 PolarHBondContact OH-O 3.26Å; Y645-R671 HydrophobicContact CD1-CB 4.32Å; Y645-R671 HydrophobicContact CD2-CB 4.16Å; Y645-R671 HydrophobicContact CE1-CB 4.08Å; Y645-R671 HydrophobicContact CE2-CB 3.91Å; Y645-R671 HydrophobicContact CE2-CG 4.23Å; Y645-R671 HydrophobicContact CG-CB 4.35Å; Y645-R671 PolarHBondContact OH-N 3.43Å |
| 646 | V | 93.8 | Very high | 86.4 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | trans | -141.2 | 146.3 | -171.2 | 63.2 | 0 | 0 | 0 | 0 | 113.1 | Q643 D644 V651 P653 L663 M672 | Q643-V646 WeakPolarHBondContact O-CB 3.33Å; D644-V646 PolarHBondContact O-N 3.36Å; V646-V651 HydrophobicContact CG2-CG1 4.3Å; V646-V651 WeakPolarHBondContact CG2-O 3.4Å; V646-P653 HydrophobicContact CB-CG 4.29Å; V646-P653 HydrophobicContact CG1-CG 4Å; V646-P653 HydrophobicContact CG2-CG 3.94Å; V646-L663 HydrophobicContact CG2-CD1 4.49Å; V646-M672 PolarHBondContact O-N 2.94Å | ||
| 647 | N | 95.4 | Very high | 86 | Confident | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.016 | 15% | 0.147 | C | C | . | . | trans | -117 | 107 | 167.2 | -171.3 | -38.5 | 0 | 0 | 0 | 108.6 | S649 L650 V651 V669 P670 M672 E975 | N647-S649 VanDerWaalsContact C-N 3.25Å; N647-S649 PolarHBondContact O-N 3.04Å; N647-S649 WeakPolarHBondContact OD1-CB 3.24Å; N647-S649 PolarHBondContact OD1-N 3.12Å; N647-L650 HydrophobicContact CB-CD1 4.13Å; N647-L650 HydrophobicContact CB-CG 4.31Å; N647-L650 PolarHBondContact O-N 3.31Å; N647-V651 PolarHBondContact O-N 3.3Å; N647-V651 VanDerWaalsContact O-O 3.1Å; N647-V669 HydrophobicContact CB-CG1 4.46Å; N647-P670 WeakPolarHBondContact CB-O 3.19Å; N647-P670 PolarHBondContact ND2-O 2.96Å; N647-M672 HydrophobicContact CB-CB 4.4Å; N647-E975 PolarHBondContact ND2-OE2 3.23Å | ||
| 648 | W | 91.4 | Very high | 85.8 | Confident | 13 Ų | 13 | 26.1 Ų | 26.1 | 5% | 0.049 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -25.6 | -171.2 | -70.9 | 70.2 | 0 | 0 | 0 | 113.1 | F422 L650 V651 E652 P653 M672 W674 A910 | F422-W648 HydrophobicContact CE1-CZ3 4.4Å; W648-L650 PolarHBondContact O-N 3.1Å; W648-V651 WeakPolarHBondContact CA-O 3.49Å; W648-E652 HydrophobicContact CE3-CB 4.43Å; W648-E652 HydrophobicContact CE3-CG 4Å; W648-E652 HydrophobicContact CZ3-CB 4.48Å; W648-E652 HydrophobicContact CZ3-CG 4.31Å; W648-P653 HydrophobicContact CH2-CG 4.26Å; W648-P653 HydrophobicContact CZ2-CG 3.84Å; W648-M672 HydrophobicContact CB-CE 3.6Å; W648-M672 HydrophobicContact CB-SD 4.33Å; W648-M672 HydrophobicContact CG-CE 3.85Å; W648-W674 AromaticContact CD1-CE2 3.98Å; W648-W674 AromaticContact CD1-CZ2 3.76Å; W648-W674 AromaticContact CD1-NE1 3.57Å; W648-W674 AromaticContact CD2-CZ2 3.94Å; W648-W674 HydrophobicContact CD2-CZ2 3.94Å; W648-W674 AromaticContact CE2-CZ2 3.84Å; W648-W674 AromaticContact CG-CZ2 3.9Å; W648-W674 HydrophobicContact CG-CZ2 3.9Å; W648-W674 AromaticContact NE1-CE2 3.93Å; W648-W674 AromaticContact NE1-CZ2 3.7Å; W648-W674 AromaticContact NE1-NE1 3.71Å; W648-A910 HydrophobicContact CB-CB 4.17Å |
| 649 | S | 90.9 | Very high | 85.5 | Confident | 31 Ų | 31 | 27 Ų | 27 | 22% | 0.217 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -23.1 | 174.1 | -51.7 | 0 | 0 | 0 | 0 | 112.3 | N647 K912 G913 | N647-S649 VanDerWaalsContact C-N 3.25Å; N647-S649 PolarHBondContact O-N 3.04Å; N647-S649 WeakPolarHBondContact OD1-CB 3.24Å; N647-S649 PolarHBondContact OD1-N 3.12Å; S649-K912 WeakPolarHBondContact O-CA 3.44Å; S649-G913 PolarHBondContact O-N 3.34Å |
| 650 | L | 91.7 | Very high | 84.8 | Confident | 89 Ų | 89 | 26.4 Ų | 26.4 | 47% | 0.466 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -45.3 | 178.7 | -56.9 | 179.4 | 0 | 0 | 0 | 112 | N647 W648 V664 V669 K912 | N647-L650 HydrophobicContact CB-CD1 4.13Å; N647-L650 HydrophobicContact CB-CG 4.31Å; N647-L650 PolarHBondContact O-N 3.31Å; W648-L650 PolarHBondContact O-N 3.1Å; L650-V664 HydrophobicContact CB-CG1 4.44Å; L650-V664 HydrophobicContact CD1-CG1 4.34Å; L650-V669 HydrophobicContact CD1-CG1 3.48Å; L650-V669 VanDerWaalsContact CD1-CG1 3.48Å; L650-K912 WeakPolarHBondContact O-CE 3.37Å |
| 651 | V | 88.5 | Confident | 84.1 | Confident | 38 Ų | 38 | 27.4 Ų | 27.4 | 23% | 0.23 | 14% | 0.144 | C | C | . | . | trans | -155.7 | 136.7 | -173.6 | 64.5 | 0 | 0 | 0 | 0 | 111.8 | V646 N647 W648 L663 V664 | V646-V651 HydrophobicContact CG2-CG1 4.3Å; V646-V651 WeakPolarHBondContact CG2-O 3.4Å; N647-V651 PolarHBondContact O-N 3.3Å; N647-V651 VanDerWaalsContact O-O 3.1Å; W648-V651 WeakPolarHBondContact CA-O 3.49Å; V651-L663 HydrophobicContact CB-CB 4.43Å; V651-L663 HydrophobicContact CG1-CB 3.48Å; V651-L663 VanDerWaalsContact CG1-CB 3.48Å; V651-L663 HydrophobicContact CG1-CD1 4.35Å; V651-L663 HydrophobicContact CG2-CB 4.09Å; V651-L663 HydrophobicContact CG2-CD1 4.2Å; V651-V664 HydrophobicContact CG1-CG1 3.56Å | ||
| 652 | E | 84.2 | Confident | 83.9 | Confident | 43 Ų | 43 | 27.8 Ų | 27.8 | 20% | 0.201 | 15% | 0.146 | C | C | . | . | trans | -89.4 | 140.8 | 174.2 | -65.1 | 177.6 | -173.1 | 0 | 0 | 111.1 | W648 | W648-E652 HydrophobicContact CE3-CB 4.43Å; W648-E652 HydrophobicContact CE3-CG 4Å; W648-E652 HydrophobicContact CZ3-CB 4.48Å; W648-E652 HydrophobicContact CZ3-CG 4.31Å | ||
| 653 | P | 85.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -55.8 | 143.8 | 167.6 | -22.9 | 34.2 | 0 | 0 | 0 | 112.4 | F473 V646 W648 L663 | F473-P653 HydrophobicContact CB-CB 4.21Å; F473-P653 HydrophobicContact CB-CG 4.06Å; F473-P653 HydrophobicContact CD2-CB 4.05Å; V646-P653 HydrophobicContact CB-CG 4.29Å; V646-P653 HydrophobicContact CG1-CG 4Å; V646-P653 HydrophobicContact CG2-CG 3.94Å; W648-P653 HydrophobicContact CH2-CG 4.26Å; W648-P653 HydrophobicContact CZ2-CG 3.84Å; P653-L663 HydrophobicContact CB-CD1 4.48Å | ||
| 654 | T | 75.3 | Confident | 83.9 | Confident | 22 Ų | 22 | 30.5 Ų | 30.5 | 14% | 0.135 | 16% | 0.162 | C | C | . | . | trans | -146.6 | 141.5 | -178.5 | -174.3 | 0 | 0 | 0 | 0 | 113.2 | K421 Q643 K656 E657 | K421-T654 PolarHBondContact O-OG1 3.47Å; Q643-T654 PolarHBondContact NE2-O 3.42Å; Q643-T654 PolarHBondContact OE1-O 3.03Å; T654-K656 HydrophobicContact CG2-CB 3.9Å; T654-K656 PolarHBondContact O-N 2.92Å; T654-K656 PolarHBondContact OG1-N 3.05Å; T654-E657 HydrophobicContact CG2-CB 4.21Å; T654-E657 HydrophobicContact CG2-CG 3.8Å; T654-E657 PolarHBondContact O-N 3.24Å | ||
| 655 | A | 70.6 | Confident | 83.6 | Confident | 37 Ų | 37 | 33.9 Ų | 33.9 | 31% | 0.306 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114 | R423 K426 | R423-A655 HydrophobicContact CB-CB 4.2Å; K426-A655 HydrophobicContact CB-CB 4.37Å; K426-A655 HydrophobicContact CD-CB 4.15Å |
| 656 | K | 68.8 | Low | 83.4 | Confident | 143 Ų | 143 | 34 Ų | 34 | 62% | 0.622 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -43.3 | 168.1 | -165.6 | -176.7 | 172.9 | -174.2 | 0 | 111.1 | T654 | T654-K656 HydrophobicContact CG2-CB 3.9Å; T654-K656 PolarHBondContact O-N 2.92Å; T654-K656 PolarHBondContact OG1-N 3.05Å |
| 657 | E | 70.8 | Confident | 82.9 | Confident | 76 Ų | 76 | 35.8 Ų | 35.8 | 36% | 0.355 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -86.3 | 155.9 | -174.6 | -61.4 | -50.7 | 138.2 | 0 | 0 | 109.6 | Q643 T654 L663 | Q643-E657 PolarHBondContact NE2-O 3.45Å; T654-E657 HydrophobicContact CG2-CB 4.21Å; T654-E657 HydrophobicContact CG2-CG 3.8Å; T654-E657 PolarHBondContact O-N 3.24Å; E657-L663 HydrophobicContact CB-CD2 4.13Å; E657-L663 HydrophobicContact CG-CD2 4Å |
| 658 | H | 75.2 | Confident | 82.4 | Confident | 25 Ų | 25 | 37.6 Ų | 37.6 | 12% | 0.116 | 20% | 0.204 | C | C | . | . | trans | -71.9 | 140.8 | 176.8 | 178.3 | -93.5 | 0 | 0 | 0 | 109.8 | R506 L628 Q643 A660 L661 | R506-H658 PolarHBondContact NH1-CD2 3.4Å; L628-H658 WeakPolarHBondContact CD2-NE2 3.35Å; Q643-H658 PolarHBondContact NE2-O 2.94Å; H658-A660 VanDerWaalsContact CE1-CB 3.45Å; H658-A660 WeakPolarHBondContact CE1-CB 3.27Å; H658-A660 VanDerWaalsContact ND1-CB 3.29Å; H658-A660 WeakPolarHBondContact ND1-CB 3.4Å; H658-A660 PolarHBondContact ND1-N 3.26Å; H658-A660 PolarHBondContact O-N 2.67Å; H658-L661 HydrophobicContact CB-CD1 3.94Å; H658-L661 HydrophobicContact CB-CD2 4.28Å; H658-L661 HydrophobicContact CB-CG 3.74Å; H658-L661 WeakPolarHBondContact O-CB 3.45Å; H658-L661 WeakPolarHBondContact O-CG 3.48Å; H658-L661 PolarHBondContact O-N 3.01Å | ||
| 659 | P | 80.1 | Confident | 82.5 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 13% | 0.13 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -29.2 | -175.3 | 22.3 | -36.3 | 0 | 0 | 0 | 113.5 | T380 F473 L628 L631 G642 Q643 L661 | T380-P659 HydrophobicContact CG2-CG 4.23Å; T380-P659 WeakPolarHBondContact OG1-CB 3.45Å; F473-P659 HydrophobicContact CE2-CB 4.45Å; F473-P659 HydrophobicContact CZ-CB 3.94Å; L628-P659 HydrophobicContact CD2-CG 3.73Å; L631-P659 HydrophobicContact CD1-CG 4.4Å; G642-P659 CarbonylContact C-O 3.13Å; G642-P659 WeakPolarHBondContact CA-O 3.33Å; Q643-P659 PolarHBondContact N-O 2.88Å; P659-L661 PolarHBondContact O-N 3.05Å |
| 660 | A | 76.7 | Confident | 82.8 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -1.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L499 I502 L631 G642 H658 | L499-A660 WeakPolarHBondContact CD2-O 3.49Å; I502-A660 HydrophobicContact CG2-CB 4.05Å; L631-A660 HydrophobicContact CD2-CB 3.37Å; L631-A660 HydrophobicContact CG-CB 4.41Å; G642-A660 WeakPolarHBondContact CA-O 3.15Å; H658-A660 VanDerWaalsContact CE1-CB 3.45Å; H658-A660 WeakPolarHBondContact CE1-CB 3.27Å; H658-A660 VanDerWaalsContact ND1-CB 3.29Å; H658-A660 WeakPolarHBondContact ND1-CB 3.4Å; H658-A660 PolarHBondContact ND1-N 3.26Å; H658-A660 PolarHBondContact O-N 2.67Å |
| 661 | L | 77.3 | Confident | 82.9 | Confident | 21 Ų | 21 | 33.6 Ų | 33.6 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | trans | -94.7 | 121 | -174.6 | -53.5 | -166.7 | 0 | 0 | 0 | 110.4 | R503 G642 Q643 H658 P659 L663 | R503-L661 HydrophobicContact CG-CD1 4.15Å; R503-L661 HydrophobicContact CG-CD2 3.21Å; R503-L661 HydrophobicContact CG-CG 4.27Å; G642-L661 CarbonylContact C-O 3.53Å; Q643-L661 WeakPolarHBondContact CG-O 3.49Å; Q643-L661 PolarHBondContact N-O 2.89Å; H658-L661 HydrophobicContact CB-CD1 3.94Å; H658-L661 HydrophobicContact CB-CD2 4.28Å; H658-L661 HydrophobicContact CB-CG 3.74Å; H658-L661 WeakPolarHBondContact O-CB 3.45Å; H658-L661 WeakPolarHBondContact O-CG 3.48Å; H658-L661 PolarHBondContact O-N 3.01Å; P659-L661 PolarHBondContact O-N 3.05Å; L661-L663 PolarHBondContact O-N 2.79Å | ||
| 662 | D | 84.5 | Confident | 83.3 | Confident | 14 Ų | 14 | 32 Ų | 32 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | trans | -62.2 | 134.5 | 165.5 | -59.9 | -13.1 | 0 | 0 | 0 | 109.5 | L499 R503 G642 V664 R666 | L499-D662 VanDerWaalsContact CD1-CG 3.5Å; L499-D662 WeakPolarHBondContact CD1-OD1 3.49Å; L499-D662 WeakPolarHBondContact CD1-OD2 3.46Å; R503-D662 PolarHBondContact NH2-O 3.32Å; G642-D662 WeakPolarHBondContact CA-OD1 3.33Å; G642-D662 PolarHBondContact N-OD1 2.69Å; G642-D662 VanDerWaalsContact O-OD1 3.11Å; D662-V664 WeakPolarHBondContact CB-O 3.44Å; D662-R666 VanDerWaalsContact CG-NH2 3.35Å; D662-R666 IonicContact OD1-CZ 3.83Å; D662-R666 IonicContact OD1-NE 2.74Å; D662-R666 IonicContact OD1-NH2 3.21Å; D662-R666 PolarHBondContact OD1-NH2 3.07Å; D662-R666 IonicContact OD2-CZ 2.76Å; D662-R666 IonicContact OD2-NE 2.84Å; D662-R666 PolarHBondContact OD2-NE 3.33Å; D662-R666 IonicContact OD2-NH2 3.81Å; D662-R666 PolarHBondContact OD2-NH2 2.76Å | ||
| 663 | L | 86.5 | Confident | 83.9 | Confident | 42 Ų | 42 | 30 Ų | 30 | 22% | 0.22 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -90.4 | -16.6 | 176.6 | -57.1 | 177.7 | 0 | 0 | 0 | 112.1 | Q643 V646 V651 P653 E657 L661 | Q643-L663 HydrophobicContact CB-CD1 4.26Å; Q643-L663 HydrophobicContact CB-CG 4.39Å; Q643-L663 HydrophobicContact CG-CD1 4.01Å; Q643-L663 HydrophobicContact CG-CD2 3.98Å; Q643-L663 HydrophobicContact CG-CG 3.88Å; V646-L663 HydrophobicContact CG2-CD1 4.49Å; V651-L663 HydrophobicContact CB-CB 4.43Å; V651-L663 HydrophobicContact CG1-CB 3.48Å; V651-L663 VanDerWaalsContact CG1-CB 3.48Å; V651-L663 HydrophobicContact CG1-CD1 4.35Å; V651-L663 HydrophobicContact CG2-CB 4.09Å; V651-L663 HydrophobicContact CG2-CD1 4.2Å; P653-L663 HydrophobicContact CB-CD1 4.48Å; E657-L663 HydrophobicContact CB-CD2 4.13Å; E657-L663 HydrophobicContact CG-CD2 4Å; L661-L663 PolarHBondContact O-N 2.79Å |
| 664 | V | 88.9 | Confident | 84.5 | Confident | 19 Ų | 19 | 30.5 Ų | 30.5 | 12% | 0.115 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -130.4 | 157.5 | 176.2 | -62.2 | 0 | 0 | 0 | 0 | 109.2 | Y645 L650 V651 D662 R666 V669 | Y645-V664 HydrophobicContact CD1-CG2 3.87Å; Y645-V664 HydrophobicContact CE1-CG2 3.97Å; L650-V664 HydrophobicContact CB-CG1 4.44Å; L650-V664 HydrophobicContact CD1-CG1 4.34Å; V651-V664 HydrophobicContact CG1-CG1 3.56Å; D662-V664 WeakPolarHBondContact CB-O 3.44Å; V664-R666 PolarHBondContact O-N 3.22Å; V664-V669 HydrophobicContact CB-CB 3.95Å; V664-V669 HydrophobicContact CB-CG1 3.79Å; V664-V669 HydrophobicContact CB-CG2 4.32Å; V664-V669 HydrophobicContact CG1-CG1 4.12Å; V664-V669 HydrophobicContact CG2-CB 4.18Å; V664-V669 HydrophobicContact CG2-CG1 4.02Å |
| 665 | D | 86.5 | Confident | 85.5 | Confident | 73 Ų | 73 | 29.4 Ų | 29.4 | 39% | 0.39 | 16% | 0.159 | S | C | . | . | trans | -78.1 | 104.6 | 176.7 | -171 | -1.5 | 0 | 0 | 0 | 110.9 | N496 T667 C668 V669 | N496-D665 PolarHBondContact ND2-OD1 3.34Å; D665-T667 PolarHBondContact O-N 2.95Å; D665-T667 PolarHBondContact OD1-N 2.91Å; D665-T667 VanDerWaalsContact OD1-N 3.13Å; D665-T667 PolarHBondContact OD1-OG1 3.24Å; D665-T667 PolarHBondContact OD2-OG1 2.78Å; D665-T667 VanDerWaalsContact OD2-OG1 3.1Å; D665-C668 PolarHBondContact O-N 3.48Å; D665-V669 WeakPolarHBondContact O-CB 3.48Å; D665-V669 PolarHBondContact O-N 3.23Å | ||
| 666 | R | 89.1 | Confident | 86.8 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -14.8 | -179.8 | 67 | 168.9 | 68.9 | -139.1 | 1.9 | 114.4 | D485 V492 N496 W640 Y645 D662 V664 C668 W967 | D485-R666 VanDerWaalsContact CG-NH1 3.29Å; D485-R666 IonicContact OD1-CZ 3.83Å; D485-R666 IonicContact OD1-NH1 3.73Å; D485-R666 PolarHBondContact OD1-NH1 3.08Å; D485-R666 IonicContact OD2-NH1 2.6Å; D485-R666 PolarHBondContact OD2-NH1 3.32Å; D485-R666 VanDerWaalsContact OD2-NH1 3.07Å; V492-R666 HydrophobicContact CG1-CG 4.08Å; N496-R666 WeakPolarHBondContact OD1-CG 3.49Å; W640-R666 PolarHBondContact O-NH1 2.88Å; W640-R666 PolarHBondContact O-NH2 3.42Å; Y645-R666 HydrophobicContact CD1-CB 3.72Å; Y645-R666 HydrophobicContact CD2-CB 4.44Å; Y645-R666 HydrophobicContact CE1-CB 3.46Å; Y645-R666 VanDerWaalsContact CE1-CB 3.46Å; Y645-R666 HydrophobicContact CE2-CB 4.22Å; Y645-R666 HydrophobicContact CG-CB 4.22Å; D662-R666 VanDerWaalsContact CG-NH2 3.35Å; D662-R666 IonicContact OD1-CZ 3.83Å; D662-R666 IonicContact OD1-NE 2.74Å; D662-R666 IonicContact OD1-NH2 3.21Å; D662-R666 PolarHBondContact OD1-NH2 3.07Å; D662-R666 IonicContact OD2-CZ 2.76Å; D662-R666 IonicContact OD2-NE 2.84Å; D662-R666 PolarHBondContact OD2-NE 3.33Å; D662-R666 IonicContact OD2-NH2 3.81Å; D662-R666 PolarHBondContact OD2-NH2 2.76Å; V664-R666 PolarHBondContact O-N 3.22Å; R666-C668 VanDerWaalsContact C-N 3.29Å; R666-W967 PolarHBondContact O-NE1 3.18Å |
| 667 | T | 82.5 | Confident | 88.2 | Confident | 39 Ų | 39 | 21 Ų | 21 | 24% | 0.239 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -22.3 | 175.5 | 64.7 | 0 | 0 | 0 | 0 | 112.8 | V492 N496 D665 W967 | V492-T667 HydrophobicContact CB-CG2 3.97Å; V492-T667 HydrophobicContact CG1-CG2 3.18Å; N496-T667 VanDerWaalsContact ND2-CG2 3.28Å; N496-T667 WeakPolarHBondContact ND2-CG2 3.16Å; D665-T667 PolarHBondContact O-N 2.95Å; D665-T667 PolarHBondContact OD1-N 2.91Å; D665-T667 VanDerWaalsContact OD1-N 3.13Å; D665-T667 PolarHBondContact OD1-OG1 3.24Å; D665-T667 PolarHBondContact OD2-OG1 2.78Å; D665-T667 VanDerWaalsContact OD2-OG1 3.1Å; T667-W967 PolarHBondContact O-NE1 3.15Å |
| 668 | C | 86.3 | Confident | 89.5 | Confident | 42 Ų | 42 | 17.4 Ų | 17.4 | 28% | 0.284 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -142 | -13.7 | -172.3 | 63.2 | 0 | 0 | 0 | 0 | 114.4 | D665 R666 R973 | D665-C668 PolarHBondContact O-N 3.48Å; R666-C668 VanDerWaalsContact C-N 3.29Å; C668-R973 VanDerWaalsContact O-CD 3.3Å; C668-R973 WeakPolarHBondContact O-CD 3.21Å; C668-R973 PolarHBondContact O-NE 2.8Å; C668-R973 PolarHBondContact O-NH1 3.37Å |
| 669 | V | 92.7 | Very high | 90.5 | Very high | 30 Ų | 30 | 16.2 Ų | 16.2 | 18% | 0.182 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -104.7 | 116 | 179.2 | -177.6 | 0 | 0 | 0 | 0 | 108.5 | Y645 N647 L650 V664 D665 R671 | Y645-V669 WeakPolarHBondContact CE1-O 3.34Å; Y645-V669 PolarHBondContact OH-O 3.26Å; N647-V669 HydrophobicContact CB-CG1 4.46Å; L650-V669 HydrophobicContact CD1-CG1 3.48Å; L650-V669 VanDerWaalsContact CD1-CG1 3.48Å; V664-V669 HydrophobicContact CB-CB 3.95Å; V664-V669 HydrophobicContact CB-CG1 3.79Å; V664-V669 HydrophobicContact CB-CG2 4.32Å; V664-V669 HydrophobicContact CG1-CG1 4.12Å; V664-V669 HydrophobicContact CG2-CB 4.18Å; V664-V669 HydrophobicContact CG2-CG1 4.02Å; D665-V669 WeakPolarHBondContact O-CB 3.48Å; D665-V669 PolarHBondContact O-N 3.23Å; V669-R671 PolarHBondContact O-N 2.91Å |
| 670 | P | 96.1 | Very high | 91.4 | Very high | 17 Ų | 17 | 15.2 Ų | 15.2 | 11% | 0.11 | 9% | 0.087 | C | C | . | . | trans | -58.8 | 136.4 | 171.2 | 25.7 | -33 | 0 | 0 | 0 | 109.5 | L483 N647 W967 E975 | L483-P670 HydrophobicContact CB-CB 4Å; L483-P670 HydrophobicContact CD1-CB 4.29Å; N647-P670 WeakPolarHBondContact CB-O 3.19Å; N647-P670 PolarHBondContact ND2-O 2.96Å; P670-W967 HydrophobicContact CB-CH2 3.83Å; P670-W967 HydrophobicContact CB-CZ2 4.28Å; P670-E975 HydrophobicContact CB-CB 3.92Å; P670-E975 HydrophobicContact CB-CG 4.43Å; P670-E975 HydrophobicContact CG-CB 4.04Å; P670-E975 HydrophobicContact CG-CG 4.41Å | ||
| 671 | R | 95.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | trans | -63.6 | 157.6 | 161 | 76.2 | 170.9 | -168.6 | 90.6 | 11 | 108.4 | D477 R482 L483 W640 Y645 V669 P673 | D477-R671 IonicContact OD1-CZ 3.91Å; D477-R671 IonicContact OD1-NH2 3.77Å; D477-R671 PolarHBondContact OD1-NH2 2.86Å; D477-R671 IonicContact OD2-CZ 3.12Å; D477-R671 IonicContact OD2-NH1 3.34Å; D477-R671 PolarHBondContact OD2-NH1 3.41Å; D477-R671 IonicContact OD2-NH2 3.1Å; D477-R671 PolarHBondContact OD2-NH2 3.04Å; R482-R671 PolarHBondContact O-NE 3.16Å; R482-R671 PolarHBondContact O-NH2 3.3Å; L483-R671 PolarHBondContact O-N 3.47Å; L483-R671 VanDerWaalsContact O-N 3.16Å; W640-R671 VanDerWaalsContact CZ2-NE 3.29Å; Y645-R671 HydrophobicContact CD1-CB 4.32Å; Y645-R671 HydrophobicContact CD2-CB 4.16Å; Y645-R671 HydrophobicContact CE1-CB 4.08Å; Y645-R671 HydrophobicContact CE2-CB 3.91Å; Y645-R671 HydrophobicContact CE2-CG 4.23Å; Y645-R671 HydrophobicContact CG-CB 4.35Å; Y645-R671 PolarHBondContact OH-N 3.43Å; V669-R671 PolarHBondContact O-N 2.91Å; R671-P673 WeakPolarHBondContact O-CD 3.34Å | ||
| 672 | M | 96.3 | Very high | 93.3 | Very high | 5 Ų | 5 | 14.6 Ų | 14.6 | 3% | 0.025 | 8% | 0.084 | C | C | . | . | trans | -88.2 | 115.6 | 171.5 | -169.7 | -179.7 | 75 | 0 | 0 | 109.1 | V646 N647 W648 W674 A910 Y978 | V646-M672 PolarHBondContact O-N 2.94Å; N647-M672 HydrophobicContact CB-CB 4.4Å; W648-M672 HydrophobicContact CB-CE 3.6Å; W648-M672 HydrophobicContact CB-SD 4.33Å; W648-M672 HydrophobicContact CG-CE 3.85Å; M672-W674 VanDerWaalsContact CE-CE2 3.48Å; M672-W674 HydrophobicContact CE-CZ2 3.67Å; M672-W674 VanDerWaalsContact O-CD1 3.26Å; M672-A910 HydrophobicContact CE-CB 3.52Å; M672-A910 HydrophobicContact SD-CB 4.06Å; M672-Y978 HydrophobicContact CE-CD1 4.26Å; M672-Y978 HydrophobicContact CE-CG 4.07Å | ||
| 673 | P | 97.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -69.7 | 150.8 | 172.5 | 24.7 | -30 | 0 | 0 | 0 | 112.5 | D477 H481 L483 R671 L976 I977 Y978 | D477-P673 VanDerWaalsContact OD2-CA 3.24Å; D477-P673 WeakPolarHBondContact OD2-CA 3.41Å; D477-P673 WeakPolarHBondContact OD2-CB 3.49Å; H481-P673 HydrophobicContact CB-CB 3.91Å; H481-P673 HydrophobicContact CB-CG 4.44Å; L483-P673 VanDerWaalsContact CD2-CD 3.48Å; L483-P673 HydrophobicContact CD2-CG 3.51Å; R671-P673 WeakPolarHBondContact O-CD 3.34Å; P673-L976 WeakPolarHBondContact CD-O 3.48Å; P673-I977 HydrophobicContact CB-CG1 4.06Å; P673-I977 HydrophobicContact CB-CG2 4.36Å; P673-I977 HydrophobicContact CG-CB 4.16Å; P673-I977 HydrophobicContact CG-CG1 3.56Å; P673-Y978 WeakPolarHBondContact O-CB 3.32Å; P673-Y978 PolarHBondContact O-N 2.83Å | ||
| 674 | W | 97.1 | Very high | 93.6 | Very high | 11 Ų | 11 | 16.1 Ų | 16.1 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.6 | -179.6 | -74.5 | 62 | 0 | 0 | 0 | 109.4 | R475 D477 H481 W648 M672 A910 Y978 H980 | R475-W674 VanDerWaalsContact CZ-CE3 3.47Å; R475-W674 VanDerWaalsContact NE-CZ3 3.29Å; D477-W674 VanDerWaalsContact CB-O 3.3Å; D477-W674 WeakPolarHBondContact CB-O 3.33Å; D477-W674 PolarHBondContact OD2-N 2.79Å; H481-W674 PolarHBondContact CE1-O 3.24Å; W648-W674 AromaticContact CD1-CE2 3.98Å; W648-W674 AromaticContact CD1-CZ2 3.76Å; W648-W674 AromaticContact CD1-NE1 3.57Å; W648-W674 AromaticContact CD2-CZ2 3.94Å; W648-W674 HydrophobicContact CD2-CZ2 3.94Å; W648-W674 AromaticContact CE2-CZ2 3.84Å; W648-W674 AromaticContact CG-CZ2 3.9Å; W648-W674 HydrophobicContact CG-CZ2 3.9Å; W648-W674 AromaticContact NE1-CE2 3.93Å; W648-W674 AromaticContact NE1-CZ2 3.7Å; W648-W674 AromaticContact NE1-NE1 3.71Å; M672-W674 VanDerWaalsContact CE-CE2 3.48Å; M672-W674 HydrophobicContact CE-CZ2 3.67Å; M672-W674 VanDerWaalsContact O-CD1 3.26Å; W674-A910 HydrophobicContact CZ2-CB 4.3Å; W674-Y978 WeakPolarHBondContact CA-O 3.01Å; W674-Y978 AromaticContact CD2-CD1 3.77Å; W674-Y978 HydrophobicContact CD2-CD1 3.77Å; W674-Y978 AromaticContact CE2-CD1 3.83Å; W674-Y978 AromaticContact CE3-CD1 3.63Å; W674-Y978 HydrophobicContact CE3-CD1 3.63Å; W674-Y978 HydrophobicContact CE3-CE1 4.21Å; W674-Y978 AromaticContact CH2-CD1 3.68Å; W674-Y978 HydrophobicContact CH2-CD1 3.68Å; W674-Y978 AromaticContact CH2-CE1 3.68Å; W674-Y978 HydrophobicContact CH2-CE1 3.68Å; W674-Y978 AromaticContact CZ2-CD1 3.79Å; W674-Y978 HydrophobicContact CZ2-CD1 3.79Å; W674-Y978 HydrophobicContact CZ2-CE1 4.15Å; W674-Y978 AromaticContact CZ3-CD1 3.62Å; W674-Y978 HydrophobicContact CZ3-CD1 3.62Å; W674-Y978 AromaticContact CZ3-CE1 3.73Å; W674-Y978 HydrophobicContact CZ3-CE1 3.73Å; W674-H980 HydrophobicContact CE3-CB 3.49Å; W674-H980 VanDerWaalsContact CE3-CB 3.49Å; W674-H980 AromaticContact CE3-CG 3.72Å; W674-H980 HydrophobicContact CZ3-CB 3.71Å; W674-H980 AromaticContact CZ3-CD2 3.41Å; W674-H980 VanDerWaalsContact CZ3-CD2 3.41Å; W674-H980 WeakPolarHBondContact CZ3-CD2 3.3Å; W674-H980 AromaticContact CZ3-CG 3.43Å; W674-H980 VanDerWaalsContact CZ3-CG 3.43Å; W674-H980 AromaticContact CZ3-ND1 3.99Å; W674-H980 AromaticContact CZ3-NE2 3.96Å |
| 675 | H | 97.5 | Very high | 94 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 115.7 | 167.1 | 177.7 | 75.8 | 0 | 0 | 0 | 108.7 | I350 D351 E827 L961 I977 Y978 H980 S981 E1049 F1050 | I350-H675 VanDerWaalsContact CG2-CE1 3.45Å; I350-H675 WeakPolarHBondContact CG2-CE1 3.23Å; D351-H675 IonicContact OD1-CG 2.88Å; D351-H675 IonicContact OD1-ND1 3.77Å; D351-H675 PolarHBondContact OD1-ND1 3.05Å; H675-E827 IonicContact CD2-OE2 3.42Å; H675-E827 IonicContact NE2-OE1 3.06Å; H675-E827 PolarHBondContact NE2-OE1 3.3Å; H675-E827 IonicContact NE2-OE2 3.12Å; H675-E827 PolarHBondContact NE2-OE2 2.94Å; H675-E827 VanDerWaalsContact NE2-OE2 3.09Å; H675-L961 HydrophobicContact CB-CD1 4.11Å; H675-I977 HydrophobicContact CB-CG2 3.81Å; H675-Y978 PolarHBondContact N-O 2.63Å; H675-H980 PolarHBondContact O-N 2.78Å; H675-S981 PolarHBondContact CD2-OG 3.07Å; H675-S981 PolarHBondContact NE2-OG 3.14Å; H675-S981 PolarHBondContact O-N 3.37Å; H675-S981 PolarHBondContact O-OG 2.86Å; H675-E1049 IonicContact CE1-OE1 2.89Å; H675-E1049 IonicContact ND1-OE1 3.03Å; H675-E1049 PolarHBondContact ND1-OE1 2.65Å; H675-F1050 AromaticContact CD2-CZ 3.96Å; H675-F1050 AromaticContact CE1-CE1 3.5Å; H675-F1050 AromaticContact CE1-CZ 3.58Å; H675-F1050 AromaticContact ND1-CE1 3.72Å; H675-F1050 AromaticContact NE2-CE1 3.89Å; H675-F1050 AromaticContact NE2-CZ 3.5Å; H675-F1050 WeakPolarHBondContact NE2-CZ 3.27Å |
| 676 | D | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -131.7 | 138.8 | -170.4 | -99 | -55 | 0 | 0 | 0 | 109.4 | D351 I469 R475 H980 | D351-D676 VanDerWaalsContact CA-O 3.22Å; D351-D676 WeakPolarHBondContact CA-O 3.43Å; D351-D676 PolarHBondContact N-O 3.25Å; I469-D676 HydrophobicContact CD1-CB 3.85Å; I469-D676 HydrophobicContact CG1-CB 3.84Å; R475-D676 IonicContact CZ-OD1 2.75Å; R475-D676 IonicContact CZ-OD2 3.83Å; R475-D676 VanDerWaalsContact CZ-OD2 3.29Å; R475-D676 IonicContact NE-OD2 3.05Å; R475-D676 PolarHBondContact NE-OD2 2.65Å; R475-D676 IonicContact NH2-OD1 3.76Å; R475-D676 PolarHBondContact NH2-OD1 3.17Å; R475-D676 IonicContact NH2-OD2 3.84Å; R475-D676 PolarHBondContact NH2-OD2 3.13Å; D676-H980 WeakPolarHBondContact OD1-CB 3.43Å; D676-H980 IonicContact OD1-CG 2.84Å; D676-H980 IonicContact OD1-ND1 3.2Å; D676-H980 PolarHBondContact OD1-ND1 3.01Å | ||
| 677 | V | 97.5 | Very high | 94.7 | Very high | 3 Ų | 3 | 12.4 Ų | 12.4 | 2% | 0.018 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 135.9 | 174.2 | 167.5 | 0 | 0 | 0 | 0 | 110.3 | M348 F349 G468 S981 F1042 L1046 | M348-V677 HydrophobicContact CE-CG1 3.79Å; F349-V677 WeakPolarHBondContact O-CA 3.44Å; G468-V677 PolarHBondContact N-O 3.13Å; V677-S981 VanDerWaalsContact CG2-OG 3.29Å; V677-S981 WeakPolarHBondContact CG2-OG 3.14Å; V677-S981 PolarHBondContact N-OG 3.47Å; V677-S981 VanDerWaalsContact N-OG 3.1Å; V677-F1042 HydrophobicContact CG1-CE2 4.48Å; V677-F1042 HydrophobicContact CG1-CZ 3.72Å; V677-F1042 HydrophobicContact CG2-CZ 4.09Å; V677-L1046 HydrophobicContact CG2-CD2 4.11Å |
| 678 | G | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 176.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F349 L466 | F349-G678 PolarHBondContact N-O 2.74Å; F349-G678 PolarHBondContact O-N 3.25Å; F349-G678 VanDerWaalsContact O-N 3.14Å; L466-G678 WeakPolarHBondContact O-CA 3.37Å |
| 679 | C | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 165.5 | 177 | 70.9 | 0 | 0 | 0 | 0 | 111.9 | I346 C347 M348 F465 L466 L993 I1013 | I346-C679 HydrophobicContact CD1-CB 4.33Å; I346-C679 HydrophobicContact CG1-CB 4.44Å; C347-C679 CarbonylContact O-C 3.53Å; C347-C679 VanDerWaalsContact O-CA 3.23Å; C347-C679 WeakPolarHBondContact O-CA 3.48Å; C347-C679 WeakPolarHBondContact O-CB 3.43Å; M348-C679 HydrophobicContact CE-CB 4.23Å; M348-C679 HydrophobicContact SD-CB 3.59Å; M348-C679 VanDerWaalsContact SD-CB 3.59Å; F465-C679 VanDerWaalsContact CA-O 3.27Å; F465-C679 WeakPolarHBondContact CA-O 3.29Å; L466-C679 PolarHBondContact N-O 3.45Å; L466-C679 PolarHBondContact O-N 3.46Å; L466-C679 PolarHBondContact O-SG 3.49Å; C679-L993 HydrophobicContact CB-CD1 4.05Å; C679-I1013 VanDerWaalsContact SG-CD1 3.53Å |
| 680 | V | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 7.2 Ų | 7.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 138.9 | 163.6 | 64.6 | 0 | 0 | 0 | 0 | 109.7 | I346 C347 F349 I463 V464 F465 L738 I741 L742 | I346-V680 CarbonylContact C-O 3.54Å; I346-V680 WeakPolarHBondContact CA-O 3.39Å; C347-V680 HydrophobicContact CB-CG1 3.99Å; C347-V680 PolarHBondContact N-O 3.47Å; C347-V680 PolarHBondContact O-N 3.18Å; F349-V680 HydrophobicContact CE2-CB 3.81Å; F349-V680 HydrophobicContact CE2-CG1 3.5Å; F349-V680 HydrophobicContact CZ-CB 4.33Å; F349-V680 HydrophobicContact CZ-CG1 3.61Å; I463-V680 HydrophobicContact CD1-CG2 3.61Å; I463-V680 HydrophobicContact CG1-CG2 3.52Å; V464-V680 CarbonylContact O-C 3.55Å; V464-V680 VanDerWaalsContact O-CA 3.3Å; V464-V680 WeakPolarHBondContact O-CA 3.42Å; F465-V680 HydrophobicContact CD1-CB 3.66Å; F465-V680 HydrophobicContact CD1-CG2 3.79Å; F465-V680 HydrophobicContact CD2-CG2 4.12Å; F465-V680 HydrophobicContact CE1-CB 3.62Å; F465-V680 HydrophobicContact CE1-CG1 4.33Å; F465-V680 HydrophobicContact CE1-CG2 3.53Å; F465-V680 HydrophobicContact CE2-CG2 3.87Å; F465-V680 HydrophobicContact CG-CB 4.28Å; F465-V680 HydrophobicContact CG-CG2 4.07Å; F465-V680 HydrophobicContact CZ-CB 4.2Å; F465-V680 HydrophobicContact CZ-CG2 3.57Å; V680-L738 HydrophobicContact CG1-CD1 4.29Å; V680-L738 HydrophobicContact CG1-CD2 4.26Å; V680-L738 HydrophobicContact CG2-CD2 4.06Å; V680-I741 HydrophobicContact CG1-CD1 4.21Å; V680-I741 HydrophobicContact CG2-CD1 3.87Å; V680-L742 HydrophobicContact CG1-CD2 4.03Å |
| 681 | F | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 154.9 | 175.3 | 53.9 | -83.2 | 0 | 0 | 0 | 112.2 | T344 Q345 I346 I463 V464 L466 A685 A686 I689 I1013 | T344-F681 HydrophobicContact CG2-CB 3.89Å; T344-F681 HydrophobicContact CG2-CD2 4.16Å; T344-F681 HydrophobicContact CG2-CG 4.4Å; Q345-F681 WeakPolarHBondContact O-CA 3.42Å; Q345-F681 WeakPolarHBondContact O-CB 3.32Å; I346-F681 HydrophobicContact CB-CB 3.9Å; I346-F681 HydrophobicContact CD1-CB 4.12Å; I346-F681 HydrophobicContact CD1-CD1 4.14Å; I346-F681 HydrophobicContact CD1-CG 4.41Å; I346-F681 HydrophobicContact CG1-CB 3.94Å; I463-F681 WeakPolarHBondContact CA-O 3.42Å; V464-F681 HydrophobicContact CB-CE1 4.41Å; V464-F681 HydrophobicContact CB-CE2 4.12Å; V464-F681 HydrophobicContact CB-CZ 4.02Å; V464-F681 HydrophobicContact CG1-CE1 4Å; V464-F681 HydrophobicContact CG1-CE2 4.26Å; V464-F681 HydrophobicContact CG1-CZ 3.68Å; V464-F681 PolarHBondContact N-O 2.91Å; V464-F681 PolarHBondContact O-N 3.26Å; L466-F681 HydrophobicContact CB-CE1 4.11Å; F681-A685 HydrophobicContact CD2-CB 4.05Å; F681-A685 HydrophobicContact CE2-CB 3.97Å; F681-A686 HydrophobicContact CD2-CB 4.13Å; F681-A686 HydrophobicContact CE2-CB 4.2Å; F681-I689 HydrophobicContact CE2-CG1 4.32Å; F681-I689 HydrophobicContact CZ-CG1 3.91Å; F681-I1013 HydrophobicContact CD1-CD1 4.16Å; F681-I1013 HydrophobicContact CE1-CD1 3.91Å; F681-I1013 HydrophobicContact CE1-CG2 4.18Å; F681-I1013 HydrophobicContact CZ-CG2 3.95Å |
| 682 | V | 95.9 | Very high | 96.1 | Very high | 8 Ų | 8 | 6.8 Ų | 6.8 | 5% | 0.048 | 5% | 0.046 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143.2 | -178.2 | 61.8 | 0 | 0 | 0 | 0 | 109.5 | Q345 S462 W733 K737 L738 | Q345-V682 HydrophobicContact CB-CG1 3.9Å; Q345-V682 PolarHBondContact N-O 3.03Å; Q345-V682 PolarHBondContact O-N 2.93Å; S462-V682 WeakPolarHBondContact O-CA 3.34Å; S462-V682 WeakPolarHBondContact O-CG2 3.49Å; V682-W733 HydrophobicContact CG2-CB 4.04Å; V682-W733 WeakPolarHBondContact CG2-O 3.33Å; V682-K737 HydrophobicContact CG1-CB 4Å; V682-L738 HydrophobicContact CB-CD2 4.06Å; V682-L738 HydrophobicContact CG1-CD2 3.86Å; V682-L738 HydrophobicContact CG1-CG 3.92Å |
| 683 | G | 87.4 | Confident | 96.1 | Very high | 20 Ų | 20 | 6.5 Ų | 6.5 | 21% | 0.206 | 5% | 0.045 | C | C | . | . | S | Bend | trans | 128.2 | -161.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S462 A685 A686 G687 | S462-G683 PolarHBondContact O-N 2.93Å; G683-A685 VanDerWaalsContact C-N 3.3Å; G683-A685 PolarHBondContact O-N 2.9Å; G683-A686 WeakPolarHBondContact O-CB 3.47Å; G683-A686 PolarHBondContact O-N 2.97Å; G683-A686 VanDerWaalsContact O-N 3.14Å; G683-G687 PolarHBondContact O-N 3.26Å |
| 684 | T | 91 | Very high | 95.9 | Very high | 69 Ų | 69 | 6.5 Ų | 6.5 | 42% | 0.423 | 5% | 0.045 | S | C | . | . | H | α-helix | trans | -64.9 | -32.2 | -176.7 | 49 | 0 | 0 | 0 | 0 | 112.8 | R341 A686 G687 D688 | R341-T684 WeakPolarHBondContact CD-OG1 3.3Å; T684-A686 VanDerWaalsContact C-N 3.28Å; T684-A686 PolarHBondContact O-N 2.75Å; T684-G687 WeakPolarHBondContact O-CA 3.23Å; T684-G687 PolarHBondContact O-N 3.29Å; T684-D688 PolarHBondContact O-N 3.38Å; T684-D688 VanDerWaalsContact O-N 3.08Å |
| 685 | A | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -60.8 | -35.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R341 T344 F681 G683 G687 D688 I689 V753 | R341-A685 HydrophobicContact CB-CB 4.04Å; R341-A685 HydrophobicContact CG-CB 4.04Å; T344-A685 HydrophobicContact CG2-CB 4.05Å; F681-A685 HydrophobicContact CD2-CB 4.05Å; F681-A685 HydrophobicContact CE2-CB 3.97Å; G683-A685 VanDerWaalsContact C-N 3.3Å; G683-A685 PolarHBondContact O-N 2.9Å; A685-G687 VanDerWaalsContact C-N 3.28Å; A685-G687 PolarHBondContact O-N 3.34Å; A685-D688 WeakPolarHBondContact O-CB 3.33Å; A685-D688 PolarHBondContact O-N 3.3Å; A685-I689 PolarHBondContact O-N 2.65Å; A685-V753 HydrophobicContact CB-CB 4.06Å; A685-V753 HydrophobicContact CB-CG1 3.96Å |
| 686 | A | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -66.5 | -34.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S462 V464 F681 G683 T684 D688 S690 | S462-A686 VanDerWaalsContact O-CB 3.3Å; S462-A686 WeakPolarHBondContact O-CB 3.46Å; V464-A686 HydrophobicContact CB-CB 3.99Å; V464-A686 HydrophobicContact CG2-CB 3.72Å; V464-A686 WeakPolarHBondContact CG2-O 3.43Å; F681-A686 HydrophobicContact CD2-CB 4.13Å; F681-A686 HydrophobicContact CE2-CB 4.2Å; G683-A686 WeakPolarHBondContact O-CB 3.47Å; G683-A686 PolarHBondContact O-N 2.97Å; G683-A686 VanDerWaalsContact O-N 3.14Å; T684-A686 VanDerWaalsContact C-N 3.28Å; T684-A686 PolarHBondContact O-N 2.75Å; A686-D688 VanDerWaalsContact C-N 3.34Å; A686-S690 WeakPolarHBondContact O-CB 3.34Å; A686-S690 PolarHBondContact O-N 3.02Å; A686-S690 PolarHBondContact O-OG 3.15Å |
| 687 | G | 94.3 | Very high | 95.3 | Very high | 15 Ų | 15 | 6.3 Ų | 6.3 | 16% | 0.155 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G683 T684 A685 S690 R691 | G683-G687 PolarHBondContact O-N 3.26Å; T684-G687 WeakPolarHBondContact O-CA 3.23Å; T684-G687 PolarHBondContact O-N 3.29Å; A685-G687 VanDerWaalsContact C-N 3.28Å; A685-G687 PolarHBondContact O-N 3.34Å; G687-S690 PolarHBondContact O-N 2.87Å; G687-R691 VanDerWaalsContact O-CB 3.29Å; G687-R691 WeakPolarHBondContact O-CB 3.45Å; G687-R691 PolarHBondContact O-N 2.95Å |
| 688 | D | 96.5 | Very high | 94.9 | Very high | 3 Ų | 3 | 6.6 Ų | 6.6 | 2% | 0.016 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -64.3 | -46.8 | 177.8 | -64 | -35.8 | 0 | 0 | 0 | 111.5 | F328 Y337 A338 R341 T684 A685 A686 S690 R691 H692 A755 | F328-D688 WeakPolarHBondContact CE1-OD1 3.35Å; F328-D688 VanDerWaalsContact CZ-OD1 3.27Å; F328-D688 WeakPolarHBondContact CZ-OD1 3.06Å; Y337-D688 VanDerWaalsContact OH-C 3.26Å; Y337-D688 PolarHBondContact OH-O 3.4Å; A338-D688 HydrophobicContact CB-CB 3.87Å; R341-D688 WeakPolarHBondContact CG-OD2 3.38Å; R341-D688 IonicContact CZ-OD1 2.72Å; R341-D688 IonicContact CZ-OD2 3.91Å; R341-D688 IonicContact NE-OD1 2.74Å; R341-D688 IonicContact NE-OD2 2.9Å; R341-D688 PolarHBondContact NE-OD2 3.48Å; R341-D688 IonicContact NH2-OD1 3.13Å; R341-D688 PolarHBondContact NH2-OD1 3.48Å; R341-D688 IonicContact NH2-OD2 3.85Å; T684-D688 PolarHBondContact O-N 3.38Å; T684-D688 VanDerWaalsContact O-N 3.08Å; A685-D688 WeakPolarHBondContact O-CB 3.33Å; A685-D688 PolarHBondContact O-N 3.3Å; A686-D688 VanDerWaalsContact C-N 3.34Å; D688-S690 PolarHBondContact O-N 3.01Å; D688-R691 VanDerWaalsContact O-CB 3.29Å; D688-R691 WeakPolarHBondContact O-CB 3.49Å; D688-R691 PolarHBondContact O-N 2.75Å; D688-H692 PolarHBondContact O-N 3.13Å; D688-A755 HydrophobicContact CB-CB 4.15Å |
| 689 | I | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63 | -40.9 | 174.8 | -62 | -63.4 | 0 | 0 | 0 | 111.7 | M456 V464 L466 F681 A685 R691 H692 F693 A755 L1011 | M456-I689 HydrophobicContact CE-CG2 3.52Å; M456-I689 HydrophobicContact SD-CG2 4.28Å; V464-I689 HydrophobicContact CG1-CB 4.06Å; V464-I689 HydrophobicContact CG1-CG1 4.31Å; V464-I689 HydrophobicContact CG1-CG2 3.74Å; V464-I689 HydrophobicContact CG2-CB 4.19Å; V464-I689 HydrophobicContact CG2-CG2 4.28Å; L466-I689 HydrophobicContact CD1-CD1 3.75Å; L466-I689 HydrophobicContact CD1-CG1 4.18Å; L466-I689 HydrophobicContact CD1-CG2 4.44Å; F681-I689 HydrophobicContact CE2-CG1 4.32Å; F681-I689 HydrophobicContact CZ-CG1 3.91Å; A685-I689 PolarHBondContact O-N 2.65Å; I689-R691 VanDerWaalsContact C-N 3.29Å; I689-R691 PolarHBondContact O-N 2.92Å; I689-H692 WeakPolarHBondContact O-CB 3.45Å; I689-H692 PolarHBondContact O-N 3.27Å; I689-F693 PolarHBondContact O-N 3.49Å; I689-A755 HydrophobicContact CD1-CB 3.56Å; I689-A755 HydrophobicContact CG1-CB 4.18Å; I689-L1011 HydrophobicContact CD1-CD2 4.46Å; I689-L1011 HydrophobicContact CG2-CD1 4.4Å |
| 690 | S | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -62.5 | -38.5 | 175.2 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | Q461 A686 G687 D688 H692 F693 I694 | Q461-S690 WeakPolarHBondContact CA-OG 3.36Å; A686-S690 WeakPolarHBondContact O-CB 3.34Å; A686-S690 PolarHBondContact O-N 3.02Å; A686-S690 PolarHBondContact O-OG 3.15Å; G687-S690 PolarHBondContact O-N 2.87Å; D688-S690 PolarHBondContact O-N 3.01Å; S690-H692 VanDerWaalsContact C-N 3.33Å; S690-H692 PolarHBondContact O-N 2.86Å; S690-F693 WeakPolarHBondContact O-CB 3.46Å; S690-F693 PolarHBondContact O-N 3.38Å; S690-F693 VanDerWaalsContact O-N 3.16Å; S690-I694 VanDerWaalsContact O-CG1 3.26Å; S690-I694 WeakPolarHBondContact O-CG1 3.36Å; S690-I694 PolarHBondContact O-N 2.89Å |
| 691 | R | 95.2 | Very high | 93.2 | Very high | 8 Ų | 8 | 8.6 Ų | 8.6 | 3% | 0.03 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.4 | -39.4 | 175.4 | -173.1 | -175.1 | -162.3 | -78 | -5.3 | 112.1 | S223 M271 F328 G687 D688 I689 I694 Q695 | S223-R691 PolarHBondContact O-NH2 3.38Å; S223-R691 VanDerWaalsContact O-NH2 3.1Å; M271-R691 PolarHBondContact O-NH1 3.33Å; M271-R691 PolarHBondContact O-NH2 3.16Å; F328-R691 VanDerWaalsContact CZ-CD 3.44Å; G687-R691 VanDerWaalsContact O-CB 3.29Å; G687-R691 WeakPolarHBondContact O-CB 3.45Å; G687-R691 PolarHBondContact O-N 2.95Å; D688-R691 VanDerWaalsContact O-CB 3.29Å; D688-R691 WeakPolarHBondContact O-CB 3.49Å; D688-R691 PolarHBondContact O-N 2.75Å; I689-R691 VanDerWaalsContact C-N 3.29Å; I689-R691 PolarHBondContact O-N 2.92Å; R691-I694 PolarHBondContact O-N 3.2Å; R691-Q695 PolarHBondContact O-N 3.14Å |
| 692 | H | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.2 | -48.2 | 171.8 | 167.7 | 103.8 | 0 | 0 | 0 | 111.1 | Y337 E454 D688 I689 S690 I694 Q695 R696 R757 | Y337-H692 HydrophobicContact CE2-CB 4.21Å; E454-H692 VanDerWaalsContact CD-NE2 3.28Å; E454-H692 IonicContact OE1-CE1 3.94Å; E454-H692 PolarHBondContact OE1-CE1 3.41Å; E454-H692 IonicContact OE1-NE2 2.64Å; E454-H692 PolarHBondContact OE1-NE2 2.99Å; E454-H692 VanDerWaalsContact OE1-NE2 3.1Å; E454-H692 IonicContact OE2-CD2 2.76Å; E454-H692 IonicContact OE2-NE2 3.64Å; E454-H692 PolarHBondContact OE2-NE2 2.98Å; E454-H692 VanDerWaalsContact OE2-NE2 3.12Å; D688-H692 PolarHBondContact O-N 3.13Å; I689-H692 WeakPolarHBondContact O-CB 3.45Å; I689-H692 PolarHBondContact O-N 3.27Å; S690-H692 VanDerWaalsContact C-N 3.33Å; S690-H692 PolarHBondContact O-N 2.86Å; H692-I694 VanDerWaalsContact C-N 3.31Å; H692-I694 PolarHBondContact O-N 3.23Å; H692-Q695 WeakPolarHBondContact O-CB 3.17Å; H692-Q695 PolarHBondContact O-N 2.77Å; H692-R696 WeakPolarHBondContact NE2-CD 3.48Å; H692-R696 PolarHBondContact O-N 3.29Å; H692-R696 VanDerWaalsContact O-N 3.15Å; H692-R757 VanDerWaalsContact ND1-CD 3.33Å; H692-R757 WeakPolarHBondContact ND1-CD 3.43Å; H692-R757 PolarHBondContact ND1-NH1 3.15Å |
| 693 | F | 96.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.5 | -47.1 | 176.9 | -175 | -91.2 | 0 | 0 | 0 | 111.8 | F371 T373 Y409 M411 M456 I689 S690 Q695 R696 W697 L724 | F371-F693 HydrophobicContact CB-CD1 3.76Å; F371-F693 HydrophobicContact CB-CD2 3.94Å; F371-F693 HydrophobicContact CB-CE1 3.77Å; F371-F693 HydrophobicContact CB-CE2 3.94Å; F371-F693 HydrophobicContact CB-CG 3.85Å; F371-F693 HydrophobicContact CB-CZ 3.86Å; F371-F693 AromaticContact CD1-CD1 3.92Å; F371-F693 HydrophobicContact CD1-CD1 3.92Å; F371-F693 AromaticContact CD1-CE1 3.68Å; F371-F693 HydrophobicContact CD1-CE1 3.68Å; F371-F693 HydrophobicContact CD1-CZ 4.39Å; F371-F693 HydrophobicContact CD2-CB 4.04Å; F371-F693 AromaticContact CD2-CD1 3.46Å; F371-F693 HydrophobicContact CD2-CD1 3.46Å; F371-F693 VanDerWaalsContact CD2-CD1 3.46Å; F371-F693 HydrophobicContact CD2-CE1 4.09Å; F371-F693 AromaticContact CD2-CG 3.85Å; F371-F693 HydrophobicContact CD2-CG 3.85Å; F371-F693 HydrophobicContact CE1-CD1 4.4Å; F371-F693 HydrophobicContact CE1-CE1 4.29Å; F371-F693 AromaticContact CE2-CD1 3.97Å; F371-F693 HydrophobicContact CE2-CD1 3.97Å; F371-F693 AromaticContact CG-CD1 3.44Å; F371-F693 HydrophobicContact CG-CD1 3.44Å; F371-F693 VanDerWaalsContact CG-CD1 3.44Å; F371-F693 AromaticContact CG-CE1 3.58Å; F371-F693 HydrophobicContact CG-CE1 3.58Å; F371-F693 AromaticContact CG-CG 3.95Å; F371-F693 HydrophobicContact CG-CG 3.95Å; F371-F693 HydrophobicContact CG-CZ 4.19Å; F371-F693 HydrophobicContact CZ-CD1 4.42Å; T373-F693 HydrophobicContact CG2-CD2 3.5Å; T373-F693 VanDerWaalsContact CG2-CD2 3.5Å; T373-F693 HydrophobicContact CG2-CE2 3.71Å; Y409-F693 WeakPolarHBondContact O-CZ 3.24Å; M411-F693 HydrophobicContact CB-CE2 4.16Å; M411-F693 HydrophobicContact CE-CE2 4.33Å; M456-F693 HydrophobicContact CE-CB 3.66Å; M456-F693 HydrophobicContact CE-CD2 4.06Å; M456-F693 HydrophobicContact CE-CG 4.3Å; M456-F693 HydrophobicContact SD-CD2 4.45Å; I689-F693 PolarHBondContact O-N 3.49Å; S690-F693 WeakPolarHBondContact O-CB 3.46Å; S690-F693 PolarHBondContact O-N 3.38Å; S690-F693 VanDerWaalsContact O-N 3.16Å; F693-Q695 VanDerWaalsContact C-N 3.33Å; F693-Q695 PolarHBondContact O-N 3.48Å; F693-R696 PolarHBondContact O-N 2.93Å; F693-W697 HydrophobicContact CD1-CB 4.31Å; F693-W697 HydrophobicContact CE1-CB 4.15Å; F693-W697 HydrophobicContact CE1-CD2 4.31Å; F693-W697 AromaticContact CE1-CE3 3.95Å; F693-W697 HydrophobicContact CE1-CE3 3.95Å; F693-W697 HydrophobicContact CE1-CG 4.41Å; F693-W697 AromaticContact CZ-CE3 3.86Å; F693-W697 HydrophobicContact CZ-CE3 3.86Å; F693-W697 HydrophobicContact CZ-CZ3 4.43Å; F693-W697 VanDerWaalsContact O-CB 3.3Å; F693-W697 WeakPolarHBondContact O-CB 3.25Å; F693-W697 PolarHBondContact O-N 3.24Å; F693-L724 HydrophobicContact CD1-CD1 3.86Å; F693-L724 HydrophobicContact CE1-CD1 3.7Å |
| 694 | I | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 179.7 | -70.2 | 167.4 | 0 | 0 | 0 | 111.2 | L270 F371 Q461 S690 R691 H692 R696 N698 L724 P726 | L270-I694 HydrophobicContact CD1-CG2 4.45Å; F371-I694 HydrophobicContact CE2-CD1 4.12Å; F371-I694 HydrophobicContact CE2-CG1 3.9Å; F371-I694 HydrophobicContact CZ-CD1 4.49Å; F371-I694 HydrophobicContact CZ-CG1 4.25Å; Q461-I694 VanDerWaalsContact OE1-CD1 3.22Å; S690-I694 VanDerWaalsContact O-CG1 3.26Å; S690-I694 WeakPolarHBondContact O-CG1 3.36Å; S690-I694 PolarHBondContact O-N 2.89Å; R691-I694 PolarHBondContact O-N 3.2Å; H692-I694 VanDerWaalsContact C-N 3.31Å; H692-I694 PolarHBondContact O-N 3.23Å; I694-R696 PolarHBondContact O-N 3.02Å; I694-N698 WeakPolarHBondContact CG2-ND2 3.11Å; I694-N698 WeakPolarHBondContact O-CB 3.47Å; I694-N698 VanDerWaalsContact O-CG 3.27Å; I694-N698 PolarHBondContact O-N 2.97Å; I694-N698 PolarHBondContact O-ND2 3.49Å; I694-L724 HydrophobicContact CB-CB 4.31Å; I694-L724 HydrophobicContact CG1-CB 3.79Å; I694-L724 HydrophobicContact CG1-CD1 4.26Å; I694-L724 HydrophobicContact CG2-CB 4.01Å; I694-L724 WeakPolarHBondContact CG2-O 3.06Å; I694-P726 HydrophobicContact CD1-CG 4.45Å |
| 695 | Q | 93.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 13.1 Ų | 13.1 | 2% | 0.019 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -55.9 | -52.1 | 176.5 | -174.9 | 179.3 | 29.4 | 0 | 0 | 110.7 | L270 L296 R691 H692 F693 Q699 | L270-Q695 HydrophobicContact CD1-CB 3.66Å; L270-Q695 HydrophobicContact CD1-CG 4.1Å; L296-Q695 HydrophobicContact CD1-CG 4.28Å; R691-Q695 PolarHBondContact O-N 3.14Å; H692-Q695 WeakPolarHBondContact O-CB 3.17Å; H692-Q695 PolarHBondContact O-N 2.77Å; F693-Q695 VanDerWaalsContact C-N 3.33Å; F693-Q695 PolarHBondContact O-N 3.48Å; Q695-Q699 WeakPolarHBondContact O-CB 3.14Å; Q695-Q699 PolarHBondContact O-N 3.19Å; Q695-Q699 VanDerWaalsContact O-N 3.13Å |
| 696 | R | 92.3 | Very high | 90.1 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.008 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -66.3 | -47.3 | -178.4 | -63.8 | -165 | 70 | -179.6 | 9.2 | 112 | M411 H452 E454 H692 F693 I694 N698 Q699 I700 S763 S1009 | M411-R696 HydrophobicContact CE-CB 3.76Å; M411-R696 HydrophobicContact SD-CB 4.22Å; H452-R696 PolarHBondContact CE1-NH1 3.46Å; H452-R696 VanDerWaalsContact CE1-NH1 3.34Å; H452-R696 PolarHBondContact ND1-NH1 2.92Å; E454-R696 IonicContact OE1-CZ 3.07Å; E454-R696 IonicContact OE1-NH1 3.43Å; E454-R696 PolarHBondContact OE1-NH1 3.41Å; E454-R696 IonicContact OE2-CZ 2.83Å; E454-R696 IonicContact OE2-NH1 2.72Å; E454-R696 PolarHBondContact OE2-NH1 2.91Å; H692-R696 WeakPolarHBondContact NE2-CD 3.48Å; H692-R696 PolarHBondContact O-N 3.29Å; H692-R696 VanDerWaalsContact O-N 3.15Å; F693-R696 PolarHBondContact O-N 2.93Å; I694-R696 PolarHBondContact O-N 3.02Å; R696-N698 PolarHBondContact O-N 3.05Å; R696-Q699 PolarHBondContact O-N 3.06Å; R696-I700 WeakPolarHBondContact O-CG1 3.3Å; R696-I700 PolarHBondContact O-N 2.61Å; R696-S763 PolarHBondContact NE-O 2.91Å; R696-S763 PolarHBondContact NH2-O 3.32Å; R696-S1009 PolarHBondContact NH1-OG 3.42Å |
| 697 | W | 92.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.9 | -52 | 179.5 | 179.5 | -88.2 | 0 | 0 | 0 | 111.8 | Y409 M411 Y441 F693 Q699 I700 R701 V721 P722 L724 | Y409-W697 HydrophobicContact CD1-CD2 4.47Å; Y409-W697 AromaticContact CD1-CE2 3.84Å; Y409-W697 AromaticContact CD1-CH2 3.73Å; Y409-W697 HydrophobicContact CD1-CH2 3.73Å; Y409-W697 AromaticContact CD1-CZ2 3.45Å; Y409-W697 HydrophobicContact CD1-CZ2 3.45Å; Y409-W697 VanDerWaalsContact CD1-CZ2 3.45Å; Y409-W697 HydrophobicContact CD1-CZ3 4.33Å; Y409-W697 HydrophobicContact CE1-CZ2 4.1Å; Y409-W697 HydrophobicContact CG-CH2 4.44Å; Y409-W697 HydrophobicContact CG-CZ2 4.45Å; M411-W697 HydrophobicContact CE-CB 4.36Å; M411-W697 HydrophobicContact CE-CE3 4.47Å; Y441-W697 AromaticContact CD2-CD2 3.82Å; Y441-W697 HydrophobicContact CD2-CD2 3.82Å; Y441-W697 AromaticContact CD2-CE2 3.93Å; Y441-W697 AromaticContact CD2-CE3 3.62Å; Y441-W697 HydrophobicContact CD2-CE3 3.62Å; Y441-W697 AromaticContact CD2-CH2 3.61Å; Y441-W697 HydrophobicContact CD2-CH2 3.61Å; Y441-W697 AromaticContact CD2-CZ2 3.83Å; Y441-W697 HydrophobicContact CD2-CZ2 3.83Å; Y441-W697 AromaticContact CD2-CZ3 3.51Å; Y441-W697 HydrophobicContact CD2-CZ3 3.51Å; Y441-W697 AromaticContact CE2-CD2 3.94Å; Y441-W697 HydrophobicContact CE2-CD2 3.94Å; Y441-W697 AromaticContact CE2-CE2 3.63Å; Y441-W697 HydrophobicContact CE2-CE3 4.19Å; Y441-W697 AromaticContact CE2-CH2 3.87Å; Y441-W697 HydrophobicContact CE2-CH2 3.87Å; Y441-W697 AromaticContact CE2-CZ2 3.6Å; Y441-W697 HydrophobicContact CE2-CZ2 3.6Å; Y441-W697 HydrophobicContact CE2-CZ3 4.16Å; Y441-W697 HydrophobicContact CG-CH2 4.22Å; Y441-W697 HydrophobicContact CG-CZ3 4.12Å; F693-W697 HydrophobicContact CD1-CB 4.31Å; F693-W697 HydrophobicContact CE1-CB 4.15Å; F693-W697 HydrophobicContact CE1-CD2 4.31Å; F693-W697 AromaticContact CE1-CE3 3.95Å; F693-W697 HydrophobicContact CE1-CE3 3.95Å; F693-W697 HydrophobicContact CE1-CG 4.41Å; F693-W697 AromaticContact CZ-CE3 3.86Å; F693-W697 HydrophobicContact CZ-CE3 3.86Å; F693-W697 HydrophobicContact CZ-CZ3 4.43Å; F693-W697 VanDerWaalsContact O-CB 3.3Å; F693-W697 WeakPolarHBondContact O-CB 3.25Å; F693-W697 PolarHBondContact O-N 3.24Å; W697-Q699 VanDerWaalsContact C-N 3.25Å; W697-Q699 PolarHBondContact O-N 2.7Å; W697-I700 PolarHBondContact O-N 3.37Å; W697-R701 WeakPolarHBondContact O-CB 3.35Å; W697-R701 PolarHBondContact O-N 2.71Å; W697-V721 HydrophobicContact CZ2-CG1 3.57Å; W697-P722 PolarHBondContact NE1-O 3.05Å; W697-L724 HydrophobicContact CB-CD1 3.81Å; W697-L724 VanDerWaalsContact CD1-CD1 3.49Å; W697-L724 VanDerWaalsContact CD1-CG 3.46Å; W697-L724 HydrophobicContact CD2-CD1 4.04Å; W697-L724 HydrophobicContact CG-CD1 3.49Å; W697-L724 VanDerWaalsContact CG-CD1 3.49Å; W697-L724 HydrophobicContact CG-CG 4.01Å |
| 698 | N | 90.4 | Very high | 88.1 | Confident | 10 Ų | 10 | 24.1 Ų | 24.1 | 5% | 0.053 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.9 | -37.1 | -179.2 | -76 | -22.5 | 0 | 0 | 0 | 111.4 | I694 R696 F702 G723 L724 | I694-N698 WeakPolarHBondContact CG2-ND2 3.11Å; I694-N698 WeakPolarHBondContact O-CB 3.47Å; I694-N698 VanDerWaalsContact O-CG 3.27Å; I694-N698 PolarHBondContact O-N 2.97Å; I694-N698 PolarHBondContact O-ND2 3.49Å; R696-N698 PolarHBondContact O-N 3.05Å; N698-F702 WeakPolarHBondContact O-CB 3.37Å; N698-F702 PolarHBondContact O-N 2.99Å; N698-G723 WeakPolarHBondContact OD1-CA 3.48Å; N698-L724 PolarHBondContact ND2-O 2.99Å; N698-L724 PolarHBondContact OD1-N 2.85Å |
| 699 | Q | 86.8 | Confident | 87.2 | Confident | 20 Ų | 20 | 28.1 Ų | 28.1 | 9% | 0.093 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70.8 | -42.2 | 178 | -173.1 | 60.7 | 2.7 | 0 | 0 | 112.9 | L296 Q695 R696 W697 R701 F702 R703 L764 G765 | L296-Q699 HydrophobicContact CD1-CB 4.42Å; L296-Q699 HydrophobicContact CD2-CB 4.5Å; L296-Q699 HydrophobicContact CD2-CG 4.02Å; Q695-Q699 WeakPolarHBondContact O-CB 3.14Å; Q695-Q699 PolarHBondContact O-N 3.19Å; Q695-Q699 VanDerWaalsContact O-N 3.13Å; R696-Q699 PolarHBondContact O-N 3.06Å; W697-Q699 VanDerWaalsContact C-N 3.25Å; W697-Q699 PolarHBondContact O-N 2.7Å; Q699-R701 VanDerWaalsContact C-N 3.34Å; Q699-R701 PolarHBondContact O-N 3.38Å; Q699-F702 PolarHBondContact O-N 2.78Å; Q699-R703 WeakPolarHBondContact O-CB 3.17Å; Q699-R703 WeakPolarHBondContact O-CG 3.37Å; Q699-R703 PolarHBondContact O-N 2.93Å; Q699-L764 VanDerWaalsContact CG-O 3.3Å; Q699-L764 WeakPolarHBondContact CG-O 3.04Å; Q699-G765 PolarHBondContact NE2-O 3.35Å |
| 700 | I | 86.1 | Confident | 86 | Confident | 11 Ų | 11 | 34.2 Ų | 34.2 | 6% | 0.056 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.5 | -49.5 | 174.2 | -68.7 | 166.5 | 0 | 0 | 0 | 109.9 | M411 Y441 P444 R696 W697 F702 R703 K704 | M411-I700 HydrophobicContact CE-CD1 3.69Å; M411-I700 HydrophobicContact CG-CD1 4.24Å; M411-I700 HydrophobicContact SD-CD1 3.44Å; M411-I700 WeakPolarHBondContact SD-CD1 3.45Å; Y441-I700 HydrophobicContact CD1-CG2 4.13Å; Y441-I700 HydrophobicContact CD2-CB 4.18Å; Y441-I700 HydrophobicContact CD2-CG2 3.64Å; Y441-I700 HydrophobicContact CE1-CG2 4.44Å; Y441-I700 HydrophobicContact CE2-CB 4.48Å; Y441-I700 HydrophobicContact CE2-CG2 4.02Å; Y441-I700 HydrophobicContact CG-CG2 3.69Å; P444-I700 HydrophobicContact CG-CD1 4.38Å; P444-I700 HydrophobicContact CG-CG1 3.96Å; R696-I700 WeakPolarHBondContact O-CG1 3.3Å; R696-I700 PolarHBondContact O-N 2.61Å; W697-I700 PolarHBondContact O-N 3.37Å; I700-F702 PolarHBondContact O-N 2.94Å; I700-R703 PolarHBondContact O-N 3.48Å; I700-K704 HydrophobicContact CG2-CD 4.32Å; I700-K704 WeakPolarHBondContact O-CG 3.45Å; I700-K704 PolarHBondContact O-N 3.37Å |
| 701 | R | 84.6 | Confident | 84.6 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 4% | 0.038 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.7 | -51.1 | 176.5 | 178.6 | -175.4 | 178.8 | -94.4 | 4 | 111.4 | Y441 W697 Q699 R703 K704 I705 R719 V721 P722 | Y441-R701 HydrophobicContact CE2-CB 4.01Å; W697-R701 WeakPolarHBondContact O-CB 3.35Å; W697-R701 PolarHBondContact O-N 2.71Å; Q699-R701 VanDerWaalsContact C-N 3.34Å; Q699-R701 PolarHBondContact O-N 3.38Å; R701-R703 VanDerWaalsContact C-N 3.35Å; R701-R703 PolarHBondContact O-N 2.79Å; R701-K704 PolarHBondContact O-N 3.14Å; R701-I705 HydrophobicContact CG-CD1 4Å; R701-I705 WeakPolarHBondContact O-CG1 3.36Å; R701-I705 PolarHBondContact O-N 3.08Å; R701-R719 PolarHBondContact NH2-O 3.24Å; R701-R719 VanDerWaalsContact NH2-O 3.1Å; R701-V721 VanDerWaalsContact CZ-O 3.24Å; R701-V721 PolarHBondContact NE-O 3.2Å; R701-V721 PolarHBondContact NH2-O 2.58Å; R701-P722 WeakPolarHBondContact CD-O 3.19Å |
| 702 | F | 82.6 | Confident | 83.4 | Confident | 34 Ų | 34 | 38.5 Ų | 38.5 | 15% | 0.149 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.6 | -43.3 | -177.8 | -179.1 | -105.4 | 0 | 0 | 0 | 112.4 | N698 Q699 I700 I705 R706 | N698-F702 WeakPolarHBondContact O-CB 3.37Å; N698-F702 PolarHBondContact O-N 2.99Å; Q699-F702 PolarHBondContact O-N 2.78Å; I700-F702 PolarHBondContact O-N 2.94Å; F702-I705 PolarHBondContact O-N 3.33Å; F702-R706 HydrophobicContact CE1-CG 4.39Å; F702-R706 HydrophobicContact CZ-CG 4.46Å; F702-R706 VanDerWaalsContact CZ-NH2 3.35Å; F702-R706 PolarHBondContact O-N 2.8Å |
| 703 | R | 81.3 | Confident | 81.7 | Confident | 73 Ų | 73 | 40.5 Ų | 40.5 | 28% | 0.275 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.2 | -48.1 | 174.1 | -76.5 | 177 | 166.2 | -159.5 | -10.4 | 111.2 | Q699 I700 R701 I705 R706 S707 G765 V766 | Q699-R703 WeakPolarHBondContact O-CB 3.17Å; Q699-R703 WeakPolarHBondContact O-CG 3.37Å; Q699-R703 PolarHBondContact O-N 2.93Å; I700-R703 PolarHBondContact O-N 3.48Å; R701-R703 VanDerWaalsContact C-N 3.35Å; R701-R703 PolarHBondContact O-N 2.79Å; R703-I705 VanDerWaalsContact C-N 3.34Å; R703-I705 PolarHBondContact O-N 2.88Å; R703-R706 WeakPolarHBondContact O-CB 3.49Å; R703-R706 PolarHBondContact O-N 2.93Å; R703-S707 PolarHBondContact O-N 3.38Å; R703-S707 PolarHBondContact O-OG 2.71Å; R703-S707 VanDerWaalsContact O-OG 3.12Å; R703-G765 VanDerWaalsContact CZ-C 3.42Å; R703-G765 PolarHBondContact NE-O 3.04Å; R703-G765 VanDerWaalsContact NE-O 3.13Å; R703-G765 PolarHBondContact NH2-O 3.27Å; R703-V766 PolarHBondContact NH2-O 3.41Å; R703-V766 VanDerWaalsContact NH2-O 3.1Å |
| 704 | K | 82.3 | Confident | 80.2 | Confident | 66 Ų | 66 | 45.7 Ų | 45.7 | 29% | 0.287 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 178.3 | -71.9 | -174.5 | 178.1 | -169.6 | 0 | 113.3 | Y441 I700 R701 R706 A708 Q718 | Y441-K704 HydrophobicContact CD1-CD 4.15Å; Y441-K704 HydrophobicContact CE1-CD 3.65Å; I700-K704 HydrophobicContact CG2-CD 4.32Å; I700-K704 WeakPolarHBondContact O-CG 3.45Å; I700-K704 PolarHBondContact O-N 3.37Å; R701-K704 PolarHBondContact O-N 3.14Å; K704-R706 VanDerWaalsContact C-N 3.3Å; K704-R706 PolarHBondContact O-N 3.37Å; K704-A708 WeakPolarHBondContact O-CB 3.3Å; K704-A708 PolarHBondContact O-N 3.34Å; K704-A708 VanDerWaalsContact O-N 3.07Å; K704-Q718 HydrophobicContact CB-CG 3.97Å |
| 705 | I | 77 | Confident | 79.2 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -37.8 | 174 | -66.6 | 168.5 | 0 | 0 | 0 | 111.5 | R701 F702 R703 R715 Q718 R719 | R701-I705 HydrophobicContact CG-CD1 4Å; R701-I705 WeakPolarHBondContact O-CG1 3.36Å; R701-I705 PolarHBondContact O-N 3.08Å; F702-I705 PolarHBondContact O-N 3.33Å; R703-I705 VanDerWaalsContact C-N 3.34Å; R703-I705 PolarHBondContact O-N 2.88Å; I705-R715 HydrophobicContact CG2-CG 4.5Å; I705-R715 PolarHBondContact O-NE 3.34Å; I705-Q718 HydrophobicContact CG1-CB 3.63Å; I705-R719 HydrophobicContact CD1-CG 4.16Å; I705-R719 HydrophobicContact CG1-CG 4.29Å; I705-R719 HydrophobicContact CG2-CG 4.2Å |
| 706 | R | 78.6 | Confident | 77.9 | Confident | 137 Ų | 137 | 49.7 Ų | 49.7 | 52% | 0.517 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -73.8 | -40.4 | 179.4 | -80.2 | -172.5 | 163.8 | -175.5 | -1.3 | 112.7 | F702 R703 K704 A708 | F702-R706 HydrophobicContact CE1-CG 4.39Å; F702-R706 HydrophobicContact CZ-CG 4.46Å; F702-R706 VanDerWaalsContact CZ-NH2 3.35Å; F702-R706 PolarHBondContact O-N 2.8Å; R703-R706 WeakPolarHBondContact O-CB 3.49Å; R703-R706 PolarHBondContact O-N 2.93Å; K704-R706 VanDerWaalsContact C-N 3.3Å; K704-R706 PolarHBondContact O-N 3.37Å; R706-A708 VanDerWaalsContact C-N 3.3Å |
| 707 | S | 76.8 | Confident | 76.7 | Confident | 104 Ų | 104 | 53.2 Ų | 53.2 | 73% | 0.727 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -71.6 | -23.4 | 178.5 | -59.4 | 0 | 0 | 0 | 0 | 112.9 | R703 | R703-S707 PolarHBondContact O-N 3.38Å; R703-S707 PolarHBondContact O-OG 2.71Å; R703-S707 VanDerWaalsContact O-OG 3.12Å |
| 708 | A | 73.3 | Confident | 75.7 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.033 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -75.2 | 136.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K704 R706 K714 R715 | K704-A708 WeakPolarHBondContact O-CB 3.3Å; K704-A708 PolarHBondContact O-N 3.34Å; K704-A708 VanDerWaalsContact O-N 3.07Å; R706-A708 VanDerWaalsContact C-N 3.3Å; A708-K714 HydrophobicContact CB-CG 4.27Å; A708-R715 HydrophobicContact CB-CB 3.63Å; A708-R715 HydrophobicContact CB-CG 4.1Å; A708-R715 PolarHBondContact O-NH1 3.07Å |
| 709 | P | 77.6 | Confident | 74.7 | Confident | 87 Ų | 87 | 58.2 Ų | 58.2 | 57% | 0.565 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 141.6 | 177 | -25.8 | 33.8 | 0 | 0 | 0 | 112.4 | G711 S712 R715 | P709-G711 PolarHBondContact O-N 2.69Å; P709-S712 PolarHBondContact O-N 2.74Å; P709-S712 PolarHBondContact O-OG 3.17Å; P709-R715 WeakPolarHBondContact O-CB 3.48Å; P709-R715 VanDerWaalsContact O-CD 3.31Å; P709-R715 WeakPolarHBondContact O-CD 3.11Å |
| 710 | K | 72.5 | Confident | 73.8 | Confident | 128 Ų | 128 | 58.9 Ų | 58.9 | 56% | 0.557 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 135.8 | 176.8 | -75.5 | -179.2 | 179.1 | 175.2 | 0 | 109.4 | Y199 S712 | Y199-K710 PolarHBondContact OH-NZ 3.43Å; K710-S712 PolarHBondContact O-N 2.96Å |
| 711 | G | 67.7 | Low | 73.2 | Confident | 67 Ų | 67 | 58.5 Ų | 58.5 | 69% | 0.691 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | -15.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P709 | P709-G711 PolarHBondContact O-N 2.69Š|
| 712 | S | 69 | Low | 72.8 | Confident | 32 Ų | 32 | 58.4 Ų | 58.4 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | trans | -65.5 | 147.1 | -179.7 | 63.5 | 0 | 0 | 0 | 0 | 113.5 | P709 K710 K714 R715 I716 | P709-S712 PolarHBondContact O-N 2.74Å; P709-S712 PolarHBondContact O-OG 3.17Å; K710-S712 PolarHBondContact O-N 2.96Å; S712-K714 PolarHBondContact O-N 2.73Å; S712-R715 WeakPolarHBondContact O-CB 3.33Å; S712-R715 PolarHBondContact O-N 3.25Å; S712-R715 WeakPolarHBondContact OG-CB 3.39Å; S712-R715 PolarHBondContact OG-N 2.81Å; S712-I716 PolarHBondContact O-N 3.12Å | ||
| 713 | G | 61.4 | Low | 72.8 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 42% | 0.423 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -52.4 | -38.8 | 169 | 0 | 0 | 0 | 0 | 0 | 112.3 | R715 I716 F717 | G713-R715 VanDerWaalsContact C-N 3.34Å; G713-R715 PolarHBondContact O-N 3.34Å; G713-I716 WeakPolarHBondContact O-CB 3.27Å; G713-I716 PolarHBondContact O-N 2.97Å; G713-I716 VanDerWaalsContact O-N 3.15Å; G713-F717 WeakPolarHBondContact O-CB 3.36Å; G713-F717 PolarHBondContact O-N 3.02Å |
| 714 | K | 64.9 | Low | 73.2 | Confident | 109 Ų | 109 | 54 Ų | 54 | 47% | 0.474 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.6 | -43.3 | 173 | -172.1 | 167.4 | -175.2 | 161.6 | 0 | 112.6 | D601 A708 S712 Q718 | D601-K714 IonicContact OD2-NZ 3.68Å; D601-K714 PolarHBondContact OD2-NZ 2.82Å; A708-K714 HydrophobicContact CB-CG 4.27Å; S712-K714 PolarHBondContact O-N 2.73Å; K714-Q718 VanDerWaalsContact O-CG 3.28Å; K714-Q718 WeakPolarHBondContact O-CG 3.23Å; K714-Q718 PolarHBondContact O-N 3.46Å |
| 715 | R | 72.1 | Confident | 73.5 | Confident | 37 Ų | 37 | 51.1 Ų | 51.1 | 14% | 0.14 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.2 | -36 | 177.9 | -170 | 173.4 | -171.5 | 143.8 | -0 | 112.4 | I705 A708 P709 S712 G713 R719 | I705-R715 HydrophobicContact CG2-CG 4.5Å; I705-R715 PolarHBondContact O-NE 3.34Å; A708-R715 HydrophobicContact CB-CB 3.63Å; A708-R715 HydrophobicContact CB-CG 4.1Å; A708-R715 PolarHBondContact O-NH1 3.07Å; P709-R715 WeakPolarHBondContact O-CB 3.48Å; P709-R715 VanDerWaalsContact O-CD 3.31Å; P709-R715 WeakPolarHBondContact O-CD 3.11Å; S712-R715 WeakPolarHBondContact O-CB 3.33Å; S712-R715 PolarHBondContact O-N 3.25Å; S712-R715 WeakPolarHBondContact OG-CB 3.39Å; S712-R715 PolarHBondContact OG-N 2.81Å; G713-R715 VanDerWaalsContact C-N 3.34Å; G713-R715 PolarHBondContact O-N 3.34Å; R715-R719 WeakPolarHBondContact O-CG 3.42Å; R715-R719 PolarHBondContact O-N 2.56Å; R715-R719 VanDerWaalsContact O-N 3.16Å |
| 716 | I | 66.1 | Low | 74.1 | Confident | 51 Ų | 51 | 50.9 Ų | 50.9 | 26% | 0.262 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -53.2 | 173.4 | -63.8 | 169.3 | 0 | 0 | 0 | 108.4 | S712 G713 Q718 R719 L720 | S712-I716 PolarHBondContact O-N 3.12Å; G713-I716 WeakPolarHBondContact O-CB 3.27Å; G713-I716 PolarHBondContact O-N 2.97Å; G713-I716 VanDerWaalsContact O-N 3.15Å; I716-Q718 PolarHBondContact O-N 2.91Å; I716-R719 CarbonylContact O-C 3.51Å; I716-R719 WeakPolarHBondContact O-CA 3.3Å; I716-R719 WeakPolarHBondContact O-CB 3.41Å; I716-R719 PolarHBondContact O-N 2.78Å; I716-L720 HydrophobicContact CG2-CD1 4.37Å; I716-L720 HydrophobicContact CG2-CG 4.46Å; I716-L720 WeakPolarHBondContact O-CG 3.49Å; I716-L720 PolarHBondContact O-N 2.59Å |
| 717 | F | 67 | Low | 74.3 | Confident | 77 Ų | 77 | 45 Ų | 45 | 34% | 0.338 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -53.8 | -45.6 | 176.2 | 179.7 | -89.8 | 0 | 0 | 0 | 113.1 | G713 R719 L720 V721 | G713-F717 WeakPolarHBondContact O-CB 3.36Å; G713-F717 PolarHBondContact O-N 3.02Å; F717-R719 VanDerWaalsContact C-N 3.27Å; F717-R719 PolarHBondContact O-N 3.22Å; F717-L720 CarbonylContact O-C 3.48Å; F717-L720 VanDerWaalsContact O-C 3.29Å; F717-L720 WeakPolarHBondContact O-CA 3.46Å; F717-L720 VanDerWaalsContact O-CB 3.27Å; F717-L720 WeakPolarHBondContact O-CB 3.18Å; F717-L720 PolarHBondContact O-N 3.09Å; F717-V721 HydrophobicContact CE1-CG2 4.01Å; F717-V721 HydrophobicContact CZ-CG2 4.4Å; F717-V721 PolarHBondContact O-N 3.19Å |
| 718 | Q | 72.1 | Confident | 74.4 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67 | -28.5 | 178.3 | -66.9 | -60.4 | -39.8 | 0 | 0 | 113 | Y441 K704 I705 K714 I716 L720 V721 | Y441-Q718 PolarHBondContact OH-OE1 2.94Å; K704-Q718 HydrophobicContact CB-CG 3.97Å; I705-Q718 HydrophobicContact CG1-CB 3.63Å; K714-Q718 VanDerWaalsContact O-CG 3.28Å; K714-Q718 WeakPolarHBondContact O-CG 3.23Å; K714-Q718 PolarHBondContact O-N 3.46Å; I716-Q718 PolarHBondContact O-N 2.91Å; Q718-L720 VanDerWaalsContact C-N 3.26Å; Q718-V721 PolarHBondContact O-N 3.29Å |
| 719 | R | 69.5 | Low | 74.9 | Confident | 95 Ų | 95 | 44.5 Ų | 44.5 | 36% | 0.358 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72.3 | -25.7 | 168.9 | -70 | 169.3 | 174.5 | 162.5 | -1.8 | 111.6 | R701 I705 R715 I716 F717 V721 | R701-R719 PolarHBondContact NH2-O 3.24Å; R701-R719 VanDerWaalsContact NH2-O 3.1Å; I705-R719 HydrophobicContact CD1-CG 4.16Å; I705-R719 HydrophobicContact CG1-CG 4.29Å; I705-R719 HydrophobicContact CG2-CG 4.2Å; R715-R719 WeakPolarHBondContact O-CG 3.42Å; R715-R719 PolarHBondContact O-N 2.56Å; R715-R719 VanDerWaalsContact O-N 3.16Å; I716-R719 CarbonylContact O-C 3.51Å; I716-R719 WeakPolarHBondContact O-CA 3.3Å; I716-R719 WeakPolarHBondContact O-CB 3.41Å; I716-R719 PolarHBondContact O-N 2.78Å; F717-R719 VanDerWaalsContact C-N 3.27Å; F717-R719 PolarHBondContact O-N 3.22Å; R719-V721 PolarHBondContact O-N 3.33Å |
| 720 | L | 67.1 | Low | 75.1 | Confident | 34 Ų | 34 | 41.8 Ų | 41.8 | 18% | 0.178 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 6.1 | 170.8 | -56.6 | 177.1 | 0 | 0 | 0 | 114.2 | F252 I716 F717 Q718 | F252-L720 HydrophobicContact CD2-CB 3.89Å; F252-L720 HydrophobicContact CD2-CD2 3.53Å; F252-L720 HydrophobicContact CD2-CG 4.3Å; F252-L720 HydrophobicContact CE2-CB 3.61Å; F252-L720 HydrophobicContact CE2-CD2 4.01Å; F252-L720 HydrophobicContact CE2-CG 4.41Å; F252-L720 WeakPolarHBondContact CE2-O 3.3Å; F252-L720 WeakPolarHBondContact CZ-O 3.48Å; I716-L720 HydrophobicContact CG2-CD1 4.37Å; I716-L720 HydrophobicContact CG2-CG 4.46Å; I716-L720 WeakPolarHBondContact O-CG 3.49Å; I716-L720 PolarHBondContact O-N 2.59Å; F717-L720 CarbonylContact O-C 3.48Å; F717-L720 VanDerWaalsContact O-C 3.29Å; F717-L720 WeakPolarHBondContact O-CA 3.46Å; F717-L720 VanDerWaalsContact O-CB 3.27Å; F717-L720 WeakPolarHBondContact O-CB 3.18Å; F717-L720 PolarHBondContact O-N 3.09Å; Q718-L720 VanDerWaalsContact C-N 3.26Å |
| 721 | V | 73.3 | Confident | 75.4 | Confident | 4 Ų | 4 | 38.3 Ų | 38.3 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -90.9 | 138.2 | 165.7 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | Y439 Y441 W697 R701 F717 Q718 R719 | Y439-V721 HydrophobicContact CD1-CG1 4.16Å; Y441-V721 HydrophobicContact CE2-CG1 4.27Å; Y441-V721 WeakPolarHBondContact OH-CG1 3.4Å; W697-V721 HydrophobicContact CZ2-CG1 3.57Å; R701-V721 VanDerWaalsContact CZ-O 3.24Å; R701-V721 PolarHBondContact NE-O 3.2Å; R701-V721 PolarHBondContact NH2-O 2.58Å; F717-V721 HydrophobicContact CE1-CG2 4.01Å; F717-V721 HydrophobicContact CZ-CG2 4.4Å; F717-V721 PolarHBondContact O-N 3.19Å; Q718-V721 PolarHBondContact O-N 3.29Å; R719-V721 PolarHBondContact O-N 3.33Å |
| 722 | P | 77.4 | Confident | 76.3 | Confident | 7 Ų | 7 | 36.4 Ų | 36.4 | 5% | 0.045 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -60.9 | 137.5 | 176.7 | -21.5 | 30.3 | 0 | 0 | 0 | 112.9 | F252 Y409 Y439 W697 R701 | F252-P722 VanDerWaalsContact CE1-CA 3.46Å; F252-P722 HydrophobicContact CE1-CB 3.91Å; F252-P722 HydrophobicContact CE1-CG 3.64Å; F252-P722 HydrophobicContact CZ-CG 3.87Å; Y409-P722 HydrophobicContact CE1-CB 3.97Å; Y409-P722 HydrophobicContact CE1-CG 3.87Å; Y409-P722 WeakPolarHBondContact OH-CB 3.48Å; Y409-P722 WeakPolarHBondContact OH-CG 3.19Å; Y439-P722 VanDerWaalsContact CE1-CD 3.43Å; Y439-P722 HydrophobicContact CE1-CG 4.13Å; Y439-P722 HydrophobicContact CE2-CG 4.02Å; W697-P722 PolarHBondContact NE1-O 3.05Å; R701-P722 WeakPolarHBondContact CD-O 3.19Å |
| 723 | G | 82.5 | Confident | 77.3 | Confident | 11 Ų | 11 | 34.9 Ų | 34.9 | 11% | 0.113 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -87.1 | 133.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | N698 | N698-G723 WeakPolarHBondContact OD1-CA 3.48Š|
| 724 | L | 89.4 | Confident | 78.4 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | P | Polyproline II helix | trans | -92.4 | 143.9 | -172.8 | -53.8 | 178.5 | 0 | 0 | 0 | 110.7 | F371 Y409 F693 I694 W697 N698 | F371-L724 HydrophobicContact CE1-CD1 3.91Å; F371-L724 HydrophobicContact CE1-CD2 4.4Å; F371-L724 HydrophobicContact CZ-CD1 3.94Å; Y409-L724 HydrophobicContact CD1-CD2 4.1Å; Y409-L724 HydrophobicContact CD2-CD2 4.16Å; Y409-L724 HydrophobicContact CE1-CD2 3.64Å; Y409-L724 HydrophobicContact CE2-CD2 3.66Å; Y409-L724 HydrophobicContact CG-CD1 4.46Å; Y409-L724 HydrophobicContact CG-CD2 4.32Å; F693-L724 HydrophobicContact CD1-CD1 3.86Å; F693-L724 HydrophobicContact CE1-CD1 3.7Å; I694-L724 HydrophobicContact CB-CB 4.31Å; I694-L724 HydrophobicContact CG1-CB 3.79Å; I694-L724 HydrophobicContact CG1-CD1 4.26Å; I694-L724 HydrophobicContact CG2-CB 4.01Å; I694-L724 WeakPolarHBondContact CG2-O 3.06Å; W697-L724 HydrophobicContact CB-CD1 3.81Å; W697-L724 VanDerWaalsContact CD1-CD1 3.49Å; W697-L724 VanDerWaalsContact CD1-CG 3.46Å; W697-L724 HydrophobicContact CD2-CD1 4.04Å; W697-L724 HydrophobicContact CG-CD1 3.49Å; W697-L724 VanDerWaalsContact CG-CD1 3.49Å; W697-L724 HydrophobicContact CG-CG 4.01Å; N698-L724 PolarHBondContact ND2-O 2.99Å; N698-L724 PolarHBondContact OD1-N 2.85Å |
| 725 | L | 88.2 | Confident | 79.4 | Confident | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | trans | -114.9 | 138.6 | 177.6 | -65.4 | 167.9 | 0 | 0 | 0 | 108.6 | Y23 L177 Y224 V226 I268 Q461 S727 | Y23-L725 HydrophobicContact CE1-CD1 3.82Å; L177-L725 HydrophobicContact CD1-CD1 4.18Å; L177-L725 HydrophobicContact CD2-CD1 4.44Å; Y224-L725 HydrophobicContact CD2-CD2 4.37Å; Y224-L725 HydrophobicContact CE2-CD2 3.75Å; V226-L725 HydrophobicContact CG2-CD2 3.65Å; I268-L725 HydrophobicContact CD1-CD2 4.49Å; I268-L725 HydrophobicContact CG1-CD2 3.51Å; I268-L725 HydrophobicContact CG1-CG 4.44Å; I268-L725 HydrophobicContact CG2-CD2 4.23Å; Q461-L725 PolarHBondContact NE2-O 3.35Å; L725-S727 PolarHBondContact O-N 2.95Å | ||
| 726 | P | 89.2 | Confident | 80.1 | Confident | 16 Ų | 16 | 38 Ų | 38 | 10% | 0.104 | 20% | 0.203 | C | C | . | . | trans | -55.2 | 138.7 | 167 | -23.7 | 34.8 | 0 | 0 | 0 | 110.4 | N181 Y224 L270 I694 | N181-P726 PolarHBondContact ND2-O 3.18Å; Y224-P726 HydrophobicContact CD1-CB 4.25Å; Y224-P726 HydrophobicContact CD1-CG 3.79Å; Y224-P726 HydrophobicContact CE1-CB 3.99Å; Y224-P726 HydrophobicContact CE1-CG 3.95Å; Y224-P726 HydrophobicContact CG-CG 4.36Å; L270-P726 HydrophobicContact CD2-CG 3.81Å; I694-P726 HydrophobicContact CD1-CG 4.45Å | ||
| 727 | S | 82.7 | Confident | 81.2 | Confident | 13 Ų | 13 | 40.1 Ų | 40.1 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | trans | -131 | 155.3 | 167.8 | 60.9 | 0 | 0 | 0 | 0 | 109.2 | Q461 L725 | Q461-S727 WeakPolarHBondContact CB-OG 3.25Å; Q461-S727 WeakPolarHBondContact CG-OG 3.42Å; Q461-S727 PolarHBondContact NE2-OG 3.09Å; Q461-S727 PolarHBondContact OE1-OG 3.23Å; L725-S727 PolarHBondContact O-N 2.95Å | ||
| 728 | H | 79.2 | Confident | 82.5 | Confident | 67 Ų | 67 | 36.5 Ų | 36.5 | 31% | 0.31 | 19% | 0.194 | S | C | . | . | trans | -89.9 | 172 | 172.9 | -32.8 | -112.4 | 0 | 0 | 0 | 111 | S183 D222 | S183-H728 VanDerWaalsContact CB-CB 3.43Å; S183-H728 WeakPolarHBondContact CB-CD2 3.19Å; S183-H728 PolarHBondContact N-CD2 3.17Å; S183-H728 PolarHBondContact N-NE2 3.4Å; S183-H728 WeakPolarHBondContact OG-CB 3.42Å; S183-H728 PolarHBondContact OG-CD2 3.21Å; D222-H728 IonicContact OD2-CE1 3.45Å; D222-H728 PolarHBondContact OD2-CE1 3.05Å; D222-H728 IonicContact OD2-NE2 2.8Å | ||
| 729 | P | 83.4 | Confident | 83.4 | Confident | 30 Ų | 30 | 38.4 Ų | 38.4 | 20% | 0.195 | 21% | 0.21 | C | C | . | . | trans | -53.3 | 142.5 | 178.8 | -28.4 | 37.4 | 0 | 0 | 0 | 113.1 | S462 T734 | S462-P729 WeakPolarHBondContact OG-CA 3.35Å; P729-T734 HydrophobicContact CB-CG2 3.8Å | ||
| 730 | C | 83.5 | Confident | 84.5 | Confident | 31 Ų | 31 | 36.7 Ų | 36.7 | 21% | 0.209 | 21% | 0.21 | C | C | . | . | trans | -137.1 | 168.8 | -177.8 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | S462 W733 T734 | S462-C730 PolarHBondContact OG-N 2.92Å; S462-C730 PolarHBondContact OG-SG 3.44Å; C730-W733 WeakPolarHBondContact O-CA 3.23Å; C730-W733 VanDerWaalsContact O-CB 3.25Å; C730-W733 WeakPolarHBondContact O-CB 3.44Å; C730-W733 PolarHBondContact O-N 3.3Å; C730-T734 PolarHBondContact O-N 3.36Å | ||
| 731 | S | 78.5 | Confident | 85.8 | Confident | 54 Ų | 54 | 35.1 Ų | 35.1 | 38% | 0.378 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 145.9 | 176.6 | -171.2 | 0 | 0 | 0 | 0 | 111.4 | W733 T734 E735 | S731-W733 VanDerWaalsContact C-N 3.33Å; S731-T734 PolarHBondContact N-OG1 3.28Å; S731-E735 VanDerWaalsContact CB-OE1 3.3Å; S731-E735 WeakPolarHBondContact CB-OE1 3.27Å; S731-E735 PolarHBondContact OG-OE1 3.26Å |
| 732 | P | 85.7 | Confident | 86.7 | Confident | 28 Ų | 28 | 35.3 Ų | 35.3 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -77.4 | -11.1 | 1.6 | 32.7 | -35.8 | 0 | 0 | 0 | 114.1 | T734 E735 T736 | P732-T734 VanDerWaalsContact C-N 3.27Å; P732-T734 PolarHBondContact O-N 2.89Å; P732-T734 VanDerWaalsContact O-N 3.15Å; P732-E735 PolarHBondContact O-N 3.49Å; P732-T736 HydrophobicContact CB-CG2 4.25Å; P732-T736 PolarHBondContact O-N 3.44Å; P732-T736 PolarHBondContact O-OG1 2.85Å |
| 733 | W | 90.1 | Very high | 87 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -28.2 | -169.5 | -43.9 | 105 | 0 | 0 | 0 | 114.7 | A362 Q365 V459 D460 I463 V682 C730 S731 K737 I741 | A362-W733 HydrophobicContact CB-CH2 4Å; A362-W733 HydrophobicContact CB-CZ3 4.46Å; Q365-W733 HydrophobicContact CB-CH2 3.79Å; Q365-W733 HydrophobicContact CB-CZ2 4.02Å; V459-W733 HydrophobicContact CB-CZ2 4.19Å; V459-W733 HydrophobicContact CG1-CH2 4.43Å; V459-W733 HydrophobicContact CG1-CZ2 3.56Å; D460-W733 PolarHBondContact OD2-NE1 3.32Å; I463-W733 HydrophobicContact CB-CD2 4.17Å; I463-W733 HydrophobicContact CB-CE3 3.98Å; I463-W733 HydrophobicContact CB-CZ3 4.45Å; I463-W733 HydrophobicContact CD1-CE3 3.8Å; I463-W733 HydrophobicContact CD1-CZ3 3.75Å; I463-W733 HydrophobicContact CG2-CD2 3.71Å; I463-W733 HydrophobicContact CG2-CE3 3.69Å; I463-W733 HydrophobicContact CG2-CG 4.4Å; I463-W733 HydrophobicContact CG2-CH2 4.02Å; I463-W733 HydrophobicContact CG2-CZ2 4.04Å; I463-W733 HydrophobicContact CG2-CZ3 3.85Å; V682-W733 HydrophobicContact CG2-CB 4.04Å; V682-W733 WeakPolarHBondContact CG2-O 3.33Å; C730-W733 WeakPolarHBondContact O-CA 3.23Å; C730-W733 VanDerWaalsContact O-CB 3.25Å; C730-W733 WeakPolarHBondContact O-CB 3.44Å; C730-W733 PolarHBondContact O-N 3.3Å; S731-W733 VanDerWaalsContact C-N 3.33Å; W733-K737 WeakPolarHBondContact O-CA 3.33Å; W733-K737 PolarHBondContact O-N 3.45Å; W733-I741 HydrophobicContact CH2-CG2 4.46Å; W733-I741 HydrophobicContact CZ3-CG2 4.02Å |
| 734 | T | 84.9 | Confident | 87.1 | Confident | 69 Ų | 69 | 41.1 Ų | 41.1 | 42% | 0.423 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -29.1 | 174.5 | 46.9 | 0 | 0 | 0 | 0 | 113.3 | P729 C730 S731 P732 | P729-T734 HydrophobicContact CB-CG2 3.8Å; C730-T734 PolarHBondContact O-N 3.36Å; S731-T734 PolarHBondContact N-OG1 3.28Å; P732-T734 VanDerWaalsContact C-N 3.27Å; P732-T734 PolarHBondContact O-N 2.89Å; P732-T734 VanDerWaalsContact O-N 3.15Å |
| 735 | E | 86.6 | Confident | 86.8 | Confident | 142 Ų | 142 | 43.8 Ų | 43.8 | 66% | 0.664 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -56.1 | -174.2 | -66 | 160.3 | -137.2 | 0 | 0 | 110.9 | S731 P732 K737 | S731-E735 VanDerWaalsContact CB-OE1 3.3Å; S731-E735 WeakPolarHBondContact CB-OE1 3.27Å; S731-E735 PolarHBondContact OG-OE1 3.26Å; P732-E735 PolarHBondContact O-N 3.49Å; E735-K737 VanDerWaalsContact C-N 3.35Å |
| 736 | T | 86 | Confident | 86.4 | Confident | 40 Ų | 40 | 53 Ų | 53 | 25% | 0.245 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -19.9 | -177.7 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | P732 L738 S739 T740 | P732-T736 HydrophobicContact CB-CG2 4.25Å; P732-T736 PolarHBondContact O-N 3.44Å; P732-T736 PolarHBondContact O-OG1 2.85Å; T736-L738 PolarHBondContact O-N 2.63Å; T736-S739 WeakPolarHBondContact O-CB 3.39Å; T736-S739 PolarHBondContact O-N 3.13Å; T736-S739 PolarHBondContact O-OG 3.1Å; T736-T740 HydrophobicContact CG2-CG2 3.88Å |
| 737 | K | 89.5 | Confident | 86.2 | Confident | 96 Ų | 96 | 56.3 Ų | 56.3 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | -120.9 | -173.7 | -54.7 | -174.5 | -178.9 | 179.5 | 0 | 111 | V682 W733 E735 | V682-K737 HydrophobicContact CG1-CB 4Å; W733-K737 WeakPolarHBondContact O-CA 3.33Å; W733-K737 PolarHBondContact O-N 3.45Å; E735-K737 VanDerWaalsContact C-N 3.35Å |
| 738 | L | 94.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | -7.2 | -179.4 | -56.7 | -176.6 | 0 | 0 | 0 | 114.3 | Q345 C347 I463 V680 V682 T736 T740 I741 L742 | Q345-L738 HydrophobicContact CG-CD1 4Å; Q345-L738 HydrophobicContact CG-CG 4.33Å; C347-L738 HydrophobicContact CB-CD1 4.15Å; I463-L738 HydrophobicContact CD1-CD2 3.64Å; I463-L738 HydrophobicContact CG1-CD2 4.2Å; V680-L738 HydrophobicContact CG1-CD1 4.29Å; V680-L738 HydrophobicContact CG1-CD2 4.26Å; V680-L738 HydrophobicContact CG2-CD2 4.06Å; V682-L738 HydrophobicContact CB-CD2 4.06Å; V682-L738 HydrophobicContact CG1-CD2 3.86Å; V682-L738 HydrophobicContact CG1-CG 3.92Å; T736-L738 PolarHBondContact O-N 2.63Å; L738-T740 VanDerWaalsContact C-N 3.28Å; L738-T740 PolarHBondContact O-N 3.17Å; L738-I741 HydrophobicContact CD2-CD1 4.21Å; L738-I741 VanDerWaalsContact O-CG1 3.32Å; L738-I741 WeakPolarHBondContact O-CG1 3.29Å; L738-I741 PolarHBondContact O-N 3.38Å; L738-L742 HydrophobicContact CB-CD1 3.67Å; L738-L742 HydrophobicContact CB-CG 3.99Å; L738-L742 HydrophobicContact CD1-CD1 4.21Å; L738-L742 WeakPolarHBondContact O-CG 3.41Å; L738-L742 PolarHBondContact O-N 2.89Å; L738-L742 VanDerWaalsContact O-N 3.13Å |
| 739 | S | 91.7 | Very high | 87.5 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 42% | 0.42 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -29.3 | -168.6 | 62.4 | 0 | 0 | 0 | 0 | 114.7 | T736 | T736-S739 WeakPolarHBondContact O-CB 3.39Å; T736-S739 PolarHBondContact O-N 3.13Å; T736-S739 PolarHBondContact O-OG 3.1Å |
| 740 | T | 91.8 | Very high | 88 | Confident | 58 Ų | 58 | 56 Ų | 56 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -11.9 | -177.7 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | Q365 T736 L738 | Q365-T740 PolarHBondContact NE2-O 2.8Å; Q365-T740 PolarHBondContact NE2-OG1 2.87Å; Q365-T740 PolarHBondContact OE1-OG1 3.43Å; T736-T740 HydrophobicContact CG2-CG2 3.88Å; L738-T740 VanDerWaalsContact C-N 3.28Å; L738-T740 PolarHBondContact O-N 3.17Å |
| 741 | I | 93.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -27.7 | -177.2 | 63.8 | 151.4 | 0 | 0 | 0 | 112.9 | A358 K361 A362 I463 F465 V680 W733 L738 | A358-I741 HydrophobicContact CB-CD1 4.41Å; K361-I741 HydrophobicContact CB-CB 4.12Å; K361-I741 HydrophobicContact CB-CG2 3.96Å; K361-I741 VanDerWaalsContact CD-O 3.27Å; K361-I741 WeakPolarHBondContact CD-O 3.38Å; A362-I741 HydrophobicContact CB-CG2 4.15Å; I463-I741 HydrophobicContact CD1-CD1 3.41Å; I463-I741 VanDerWaalsContact CD1-CD1 3.41Å; I463-I741 HydrophobicContact CD1-CG1 4.32Å; F465-I741 HydrophobicContact CE1-CD1 4.27Å; F465-I741 HydrophobicContact CZ-CD1 3.7Å; V680-I741 HydrophobicContact CG1-CD1 4.21Å; V680-I741 HydrophobicContact CG2-CD1 3.87Å; W733-I741 HydrophobicContact CH2-CG2 4.46Å; W733-I741 HydrophobicContact CZ3-CG2 4.02Å; L738-I741 HydrophobicContact CD2-CD1 4.21Å; L738-I741 VanDerWaalsContact O-CG1 3.32Å; L738-I741 WeakPolarHBondContact O-CG1 3.29Å; L738-I741 PolarHBondContact O-N 3.38Å |
| 742 | L | 92.3 | Very high | 89.6 | Confident | 9 Ų | 9 | 52.6 Ų | 52.6 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | trans | -78.3 | 142.9 | 177.8 | -62 | -178.7 | 0 | 0 | 0 | 110.3 | C347 F349 V680 L738 D744 | C347-L742 HydrophobicContact CB-CD1 3.77Å; C347-L742 HydrophobicContact CB-CD2 3.94Å; F349-L742 HydrophobicContact CE1-CD2 3.94Å; F349-L742 HydrophobicContact CZ-CD2 3.69Å; V680-L742 HydrophobicContact CG1-CD2 4.03Å; L738-L742 HydrophobicContact CB-CD1 3.67Å; L738-L742 HydrophobicContact CB-CG 3.99Å; L738-L742 HydrophobicContact CD1-CD1 4.21Å; L738-L742 WeakPolarHBondContact O-CG 3.41Å; L738-L742 PolarHBondContact O-N 2.89Å; L738-L742 VanDerWaalsContact O-N 3.13Å; L742-D744 VanDerWaalsContact C-N 3.34Å | ||
| 743 | V | 84.8 | Confident | 90.2 | Very high | 101 Ų | 101 | 51.3 Ų | 51.3 | 61% | 0.612 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -67.5 | -40.9 | 171.8 | 177 | 0 | 0 | 0 | 0 | 110 | ||
| 744 | D | 83.9 | Confident | 90.6 | Very high | 38 Ų | 38 | 51.3 Ų | 51.3 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | trans | -127.1 | 105.7 | 172.2 | -175.9 | -4.5 | 0 | 0 | 0 | 110.1 | L742 R746 Q747 | L742-D744 VanDerWaalsContact C-N 3.34Å; D744-R746 PolarHBondContact O-N 2.91Å; D744-R746 VanDerWaalsContact O-N 3.1Å; D744-R746 WeakPolarHBondContact OD1-CB 3.22Å; D744-R746 VanDerWaalsContact OD1-CG 3.29Å; D744-R746 WeakPolarHBondContact OD1-CG 3.38Å; D744-R746 IonicContact OD1-CZ 2.79Å; D744-R746 PolarHBondContact OD1-N 3.09Å; D744-R746 IonicContact OD1-NE 2.72Å; D744-R746 PolarHBondContact OD1-NE 3.17Å; D744-R746 IonicContact OD1-NH2 3.32Å; D744-R746 IonicContact OD2-CZ 2.79Å; D744-R746 IonicContact OD2-NE 3.34Å; D744-R746 PolarHBondContact OD2-NE 3.23Å; D744-R746 VanDerWaalsContact OD2-NE 3.1Å; D744-R746 IonicContact OD2-NH2 2.69Å; D744-R746 PolarHBondContact OD2-NH2 2.99Å; D744-Q747 HydrophobicContact CB-CG 4.05Å; D744-Q747 WeakPolarHBondContact O-CB 3.2Å; D744-Q747 PolarHBondContact O-N 3.22Å; D744-Q747 VanDerWaalsContact O-N 3.08Å | ||
| 745 | P | 82.4 | Confident | 91.2 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -57.4 | -23.8 | 178.3 | -26.7 | 35.7 | 0 | 0 | 0 | 114.4 | Q747 S748 | P745-Q747 PolarHBondContact O-N 3.35Å; P745-S748 PolarHBondContact O-N 2.89Å; P745-S748 VanDerWaalsContact O-N 3.15Å; P745-S748 PolarHBondContact O-OG 3.48Å |
| 746 | R | 79.9 | Confident | 91.8 | Very high | 199 Ų | 199 | 41.3 Ų | 41.3 | 75% | 0.751 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -67.3 | -15.1 | 178.6 | -56.2 | 173.8 | -62.9 | 171.8 | 5.4 | 113 | D744 S748 | D744-R746 PolarHBondContact O-N 2.91Å; D744-R746 VanDerWaalsContact O-N 3.1Å; D744-R746 WeakPolarHBondContact OD1-CB 3.22Å; D744-R746 VanDerWaalsContact OD1-CG 3.29Å; D744-R746 WeakPolarHBondContact OD1-CG 3.38Å; D744-R746 IonicContact OD1-CZ 2.79Å; D744-R746 PolarHBondContact OD1-N 3.09Å; D744-R746 IonicContact OD1-NE 2.72Å; D744-R746 PolarHBondContact OD1-NE 3.17Å; D744-R746 IonicContact OD1-NH2 3.32Å; D744-R746 IonicContact OD2-CZ 2.79Å; D744-R746 IonicContact OD2-NE 3.34Å; D744-R746 PolarHBondContact OD2-NE 3.23Å; D744-R746 VanDerWaalsContact OD2-NE 3.1Å; D744-R746 IonicContact OD2-NH2 2.69Å; D744-R746 PolarHBondContact OD2-NH2 2.99Å; R746-S748 PolarHBondContact O-N 2.85Å |
| 747 | Q | 85.9 | Confident | 92.3 | Very high | 87 Ų | 87 | 40 Ų | 40 | 41% | 0.407 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -71.7 | -20.1 | 175.1 | -67.7 | 178.3 | -20.4 | 0 | 0 | 112.6 | D744 P745 F1038 R1041 | D744-Q747 HydrophobicContact CB-CG 4.05Å; D744-Q747 WeakPolarHBondContact O-CB 3.2Å; D744-Q747 PolarHBondContact O-N 3.22Å; D744-Q747 VanDerWaalsContact O-N 3.08Å; P745-Q747 PolarHBondContact O-N 3.35Å; Q747-F1038 WeakPolarHBondContact O-CE2 3.34Å; Q747-R1041 PolarHBondContact O-NH2 2.65Å |
| 748 | S | 93.6 | Very high | 92.6 | Very high | 20 Ų | 20 | 35.5 Ų | 35.5 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | trans | -76 | 158.5 | 177.2 | 69.4 | 0 | 0 | 0 | 0 | 113 | Q345 I346 P745 R746 | Q345-S748 PolarHBondContact NE2-OG 3.16Å; I346-S748 CarbonylContact O-C 3.28Å; I346-S748 WeakPolarHBondContact O-CA 3.47Å; I346-S748 WeakPolarHBondContact O-CB 3.49Å; P745-S748 PolarHBondContact O-N 2.89Å; P745-S748 VanDerWaalsContact O-N 3.15Å; P745-S748 PolarHBondContact O-OG 3.48Å; R746-S748 PolarHBondContact O-N 2.85Å | ||
| 749 | A | 94.1 | Very high | 92.5 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 14% | 0.14 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 164.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q345 I346 F1038 | Q345-A749 CarbonylContact C-O 3.54Å; Q345-A749 VanDerWaalsContact CA-O 3.28Å; Q345-A749 WeakPolarHBondContact CA-O 3.36Å; I346-A749 PolarHBondContact N-O 3.35Å; I346-A749 PolarHBondContact O-N 3.3Å; A749-F1038 HydrophobicContact CB-CB 3.62Å; A749-F1038 HydrophobicContact CB-CD1 4Å; A749-F1038 HydrophobicContact CB-CD2 3.45Å; A749-F1038 VanDerWaalsContact CB-CD2 3.45Å; A749-F1038 HydrophobicContact CB-CE1 4.49Å; A749-F1038 HydrophobicContact CB-CE2 4Å; A749-F1038 HydrophobicContact CB-CG 3.43Å; A749-F1038 VanDerWaalsContact CB-CG 3.43Å; A749-F1038 HydrophobicContact CB-CZ 4.46Å |
| 750 | V | 95.7 | Very high | 92.1 | Very high | 67 Ų | 67 | 32.9 Ų | 32.9 | 41% | 0.406 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 120 | 174 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | D343 T344 Q345 N1018 | D343-V750 HydrophobicContact CB-CG1 4.33Å; T344-V750 WeakPolarHBondContact O-CA 3.44Å; Q345-V750 HydrophobicContact CB-CG2 4.45Å; Q345-V750 HydrophobicContact CG-CG2 4.42Å; V750-N1018 PolarHBondContact O-ND2 3.46Å |
| 751 | C | 96.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 167.3 | -170.5 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | D343 T344 I346 I1015 E1016 N1018 H1036 | D343-C751 PolarHBondContact N-O 3.09Å; T344-C751 PolarHBondContact N-O 3.38Å; T344-C751 PolarHBondContact O-N 3.37Å; I346-C751 HydrophobicContact CG2-CB 4.16Å; C751-I1015 HydrophobicContact CB-CG2 3.83Å; C751-E1016 WeakPolarHBondContact CB-O 2.94Å; C751-N1018 VanDerWaalsContact C-OD1 3.26Å; C751-N1018 PolarHBondContact O-OD1 2.98Å; C751-H1036 VanDerWaalsContact SG-CE1 3.52Å; C751-H1036 PolarHBondContact SG-NE2 3.15Å |
| 752 | T | 98.2 | Very high | 91.1 | Very high | 13 Ų | 13 | 33 Ų | 33 | 8% | 0.08 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 128.2 | 161.3 | -63 | 0 | 0 | 0 | 0 | 108.8 | R341 I1015 E1016 S1017 N1018 | R341-T752 CarbonylContact O-C 3.57Å; R341-T752 WeakPolarHBondContact O-CA 3.42Å; T752-I1015 WeakPolarHBondContact O-CA 3.45Å; T752-E1016 HydrophobicContact CG2-CG 3.98Å; T752-E1016 PolarHBondContact N-O 3.45Å; T752-E1016 PolarHBondContact O-N 3.35Å; T752-S1017 WeakPolarHBondContact CB-O 3.39Å; T752-S1017 PolarHBondContact OG1-O 2.85Å; T752-N1018 PolarHBondContact N-OD1 3.41Å; T752-N1018 WeakPolarHBondContact OG1-CA 3.45Å; T752-N1018 PolarHBondContact OG1-OD1 3.24Å; T752-N1018 VanDerWaalsContact OG1-OD1 3.14Å |
| 753 | V | 98.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 132.9 | 176.5 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | R341 T344 I346 A685 I1013 I1014 I1015 | R341-V753 WeakPolarHBondContact CB-O 3.26Å; R341-V753 PolarHBondContact N-O 3.1Å; R341-V753 PolarHBondContact O-N 3.23Å; T344-V753 HydrophobicContact CG2-CB 3.99Å; T344-V753 HydrophobicContact CG2-CG2 3.68Å; I346-V753 HydrophobicContact CD1-CG2 4.18Å; A685-V753 HydrophobicContact CB-CB 4.06Å; A685-V753 HydrophobicContact CB-CG1 3.96Å; V753-I1013 HydrophobicContact CG1-CB 4.05Å; V753-I1013 HydrophobicContact CG1-CD1 4.22Å; V753-I1013 HydrophobicContact CG1-CG2 4.13Å; V753-I1014 WeakPolarHBondContact CA-O 3.18Å; V753-I1015 HydrophobicContact CG2-CG1 4.29Å |
| 754 | Q | 98.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.4 | 171.3 | -175.3 | -175.8 | 14.5 | 0 | 0 | 110.1 | R333 A338 S340 L756 I1013 I1014 | R333-Q754 PolarHBondContact O-NE2 3.12Å; A338-Q754 PolarHBondContact O-NE2 3.45Å; S340-Q754 PolarHBondContact OG-OE1 2.81Å; Q754-L756 HydrophobicContact CG-CD2 4.42Å; Q754-I1013 VanDerWaalsContact O-CA 3.28Å; Q754-I1013 WeakPolarHBondContact O-CA 3.23Å; Q754-I1014 HydrophobicContact CB-CG2 3.61Å; Q754-I1014 PolarHBondContact N-O 2.77Å; Q754-I1014 PolarHBondContact O-N 3.35Å |
| 755 | A | 98.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 2% | 0.017 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 139.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S336 Y337 A338 D688 I689 | S336-A755 PolarHBondContact OG-O 3.37Å; Y337-A755 HydrophobicContact CE1-CB 4.19Å; A338-A755 HydrophobicContact CB-CB 4.02Å; D688-A755 HydrophobicContact CB-CB 4.15Å; I689-A755 HydrophobicContact CD1-CB 3.56Å; I689-A755 HydrophobicContact CG1-CB 4.18Å |
| 756 | L | 98.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 159.8 | 179.5 | -53.4 | 175.1 | 0 | 0 | 0 | 109.5 | F334 Q754 V809 A812 I992 G1012 I1014 | F334-L756 HydrophobicContact CD2-CD2 3.89Å; Q754-L756 HydrophobicContact CG-CD2 4.42Å; L756-V809 HydrophobicContact CB-CG2 3.93Å; L756-A812 HydrophobicContact CD1-CB 3.75Å; L756-I992 HydrophobicContact CD1-CD1 3.6Å; L756-I992 HydrophobicContact CD1-CG1 4.25Å; L756-G1012 PolarHBondContact N-O 2.71Å; L756-G1012 PolarHBondContact O-N 3.28Å; L756-G1012 VanDerWaalsContact O-O 3.11Å; L756-I1014 HydrophobicContact CD1-CB 4.22Å; L756-I1014 HydrophobicContact CD1-CG2 4.32Å |
| 757 | R | 97 | Very high | 88.8 | Confident | 13 Ų | 13 | 21.2 Ų | 21.2 | 5% | 0.049 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 160.9 | 174.1 | 60.8 | -178.2 | -174.2 | -179.4 | 5 | 112.9 | Y337 H692 V759 E806 S808 E1010 L1011 | Y337-R757 HydrophobicContact CD1-CG 3.84Å; Y337-R757 VanDerWaalsContact CD1-NE 3.31Å; Y337-R757 HydrophobicContact CE1-CG 4.04Å; H692-R757 VanDerWaalsContact ND1-CD 3.33Å; H692-R757 WeakPolarHBondContact ND1-CD 3.43Å; H692-R757 PolarHBondContact ND1-NH1 3.15Å; R757-V759 HydrophobicContact CB-CG1 4.3Å; R757-V759 HydrophobicContact CG-CG1 4.31Å; R757-V759 HydrophobicContact CG-CG2 4.05Å; R757-E806 VanDerWaalsContact CG-CD 3.49Å; R757-E806 HydrophobicContact CG-CG 4.3Å; R757-E806 WeakPolarHBondContact CG-OE1 3.33Å; R757-E806 IonicContact CZ-OE2 3.74Å; R757-E806 IonicContact NE-OE1 3.8Å; R757-E806 IonicContact NE-OE2 2.77Å; R757-E806 PolarHBondContact NE-OE2 3.36Å; R757-E806 IonicContact NH2-OE2 3.88Å; R757-E806 PolarHBondContact NH2-OE2 2.99Å; R757-S808 PolarHBondContact N-OG 2.86Å; R757-S808 PolarHBondContact O-N 2.95Å; R757-S808 PolarHBondContact O-OG 3.36Å; R757-E1010 VanDerWaalsContact CA-O 3.22Å; R757-E1010 WeakPolarHBondContact CA-O 3.46Å; R757-E1010 WeakPolarHBondContact CB-O 3.33Å; R757-L1011 HydrophobicContact CB-CD2 3.95Å |
| 758 | S | 95.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 111.8 | 167.2 | -164.1 | 0 | 0 | 0 | 0 | 106.9 | E806 S1002 G1005 S1009 E1010 | S758-E806 CarbonylContact C-O 3.53Å; S758-E806 WeakPolarHBondContact CA-O 3.39Å; S758-S1002 WeakPolarHBondContact CB-O 3.21Å; S758-S1002 PolarHBondContact OG-O 3.26Å; S758-G1005 WeakPolarHBondContact OG-CA 3.45Å; S758-G1005 PolarHBondContact OG-N 3.22Å; S758-G1005 VanDerWaalsContact OG-N 3.13Å; S758-S1009 CarbonylContact O-C 3.55Å; S758-S1009 VanDerWaalsContact O-CA 3.27Å; S758-S1009 WeakPolarHBondContact O-CA 3.26Å; S758-E1010 PolarHBondContact N-O 2.76Å; S758-E1010 PolarHBondContact O-N 3.43Å |
| 759 | V | 92 | Very high | 85.2 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 153.7 | -175.2 | -67.9 | 0 | 0 | 0 | 0 | 113.3 | R757 L764 L805 E806 G1005 | R757-V759 HydrophobicContact CB-CG1 4.3Å; R757-V759 HydrophobicContact CG-CG1 4.31Å; R757-V759 HydrophobicContact CG-CG2 4.05Å; V759-L764 HydrophobicContact CB-CD1 4.33Å; V759-L764 HydrophobicContact CB-CD2 4.22Å; V759-L764 HydrophobicContact CB-CG 3.95Å; V759-L764 HydrophobicContact CG1-CD2 4.35Å; V759-L764 HydrophobicContact CG2-CD1 3.77Å; V759-L764 HydrophobicContact CG2-CD2 4.06Å; V759-L764 HydrophobicContact CG2-CG 3.88Å; V759-L805 WeakPolarHBondContact O-CA 3.38Å; V759-E806 HydrophobicContact CG2-CB 3.77Å; V759-E806 PolarHBondContact N-O 2.89Å; V759-E806 PolarHBondContact O-N 3.33Å; V759-G1005 CarbonylContact C-O 3.48Å; V759-G1005 WeakPolarHBondContact CA-O 3.21Å |
| 760 | A | 83.8 | Confident | 83.1 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 5% | 0.05 | 17% | 0.165 | C | C | . | . | trans | -129.1 | 173.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | W762 S763 L764 G804 G1005 | A760-W762 VanDerWaalsContact C-N 3.27Å; A760-W762 PolarHBondContact O-N 3.08Å; A760-S763 PolarHBondContact N-OG 3.36Å; A760-S763 PolarHBondContact O-N 2.85Å; A760-S763 VanDerWaalsContact O-N 3.15Å; A760-S763 PolarHBondContact O-OG 3.16Å; A760-S763 VanDerWaalsContact O-OG 3.09Å; A760-L764 WeakPolarHBondContact O-CB 3.28Å; A760-L764 PolarHBondContact O-N 2.98Å; A760-G804 CarbonylContact C-O 3.54Å; A760-G804 VanDerWaalsContact C-O 3.25Å; A760-G804 VanDerWaalsContact CA-O 3.32Å; A760-G804 WeakPolarHBondContact CA-O 3.25Å; A760-G1005 WeakPolarHBondContact CB-O 3.07Å; A760-G1005 PolarHBondContact N-O 3.25Å | ||
| 761 | N | 82.7 | Confident | 81.1 | Confident | 30 Ų | 30 | 31 Ų | 31 | 16% | 0.16 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.7 | -38 | 174.8 | -72.4 | -19.8 | 0 | 0 | 0 | 113.8 | G765 V766 I803 G804 | N761-G765 CarbonylContact O-C 3.57Å; N761-G765 WeakPolarHBondContact O-CA 3.25Å; N761-G765 PolarHBondContact O-N 3.24Å; N761-V766 HydrophobicContact CB-CB 3.99Å; N761-V766 PolarHBondContact O-N 3.12Å; N761-V766 VanDerWaalsContact OD1-CB 3.25Å; N761-V766 WeakPolarHBondContact OD1-CB 3.38Å; N761-V766 WeakPolarHBondContact OD1-CG1 3.25Å; N761-I803 PolarHBondContact ND2-O 3.42Å; N761-I803 PolarHBondContact OD1-O 3.1Å; N761-G804 WeakPolarHBondContact OD1-CA 3.27Å |
| 762 | W | 81.8 | Confident | 79.3 | Confident | 32 Ų | 32 | 36.9 Ų | 36.9 | 12% | 0.121 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -69.5 | -39.7 | -180 | 78.2 | -94.8 | 0 | 0 | 0 | 111.7 | W450 S451 A760 G765 R1007 | W450-W762 HydrophobicContact CB-CH2 4.47Å; W450-W762 HydrophobicContact CB-CZ2 3.63Å; W450-W762 AromaticContact CD1-CD1 3.83Å; W450-W762 AromaticContact CD1-NE1 3.51Å; W450-W762 AromaticContact CG-NE1 4Å; S451-W762 WeakPolarHBondContact O-CH2 3.47Å; S451-W762 WeakPolarHBondContact O-CZ2 3.36Å; A760-W762 VanDerWaalsContact C-N 3.27Å; A760-W762 PolarHBondContact O-N 3.08Å; W762-G765 PolarHBondContact O-N 3.13Å; W762-R1007 VanDerWaalsContact CE2-O 3.27Å; W762-R1007 VanDerWaalsContact CZ2-O 3.25Å; W762-R1007 WeakPolarHBondContact CZ2-O 3.46Å; W762-R1007 PolarHBondContact NE1-O 2.98Å |
| 763 | S | 84.6 | Confident | 77.9 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -80.9 | -38 | -174.7 | 55.6 | 0 | 0 | 0 | 0 | 112.7 | R696 A760 G765 | R696-S763 PolarHBondContact NE-O 2.91Å; R696-S763 PolarHBondContact NH2-O 3.32Å; A760-S763 PolarHBondContact N-OG 3.36Å; A760-S763 PolarHBondContact O-N 2.85Å; A760-S763 VanDerWaalsContact O-N 3.15Å; A760-S763 PolarHBondContact O-OG 3.16Å; A760-S763 VanDerWaalsContact O-OG 3.09Å; S763-G765 VanDerWaalsContact C-N 3.3Å |
| 764 | L | 84.9 | Confident | 76.7 | Confident | 3 Ų | 3 | 42.4 Ų | 42.4 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -75 | -22.3 | 169 | -70.4 | -179.8 | 0 | 0 | 0 | 112.8 | L296 Q699 V759 A760 V766 | L296-L764 WeakPolarHBondContact CD2-O 3.41Å; Q699-L764 VanDerWaalsContact CG-O 3.3Å; Q699-L764 WeakPolarHBondContact CG-O 3.04Å; V759-L764 HydrophobicContact CB-CD1 4.33Å; V759-L764 HydrophobicContact CB-CD2 4.22Å; V759-L764 HydrophobicContact CB-CG 3.95Å; V759-L764 HydrophobicContact CG1-CD2 4.35Å; V759-L764 HydrophobicContact CG2-CD1 3.77Å; V759-L764 HydrophobicContact CG2-CD2 4.06Å; V759-L764 HydrophobicContact CG2-CG 3.88Å; A760-L764 WeakPolarHBondContact O-CB 3.28Å; A760-L764 PolarHBondContact O-N 2.98Å; L764-V766 HydrophobicContact CB-CG2 4.01Å; L764-V766 HydrophobicContact CD1-CG2 4.46Å |
| 765 | G | 72.6 | Confident | 75.5 | Confident | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 26.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q699 R703 N761 W762 S763 | Q699-G765 PolarHBondContact NE2-O 3.35Å; R703-G765 VanDerWaalsContact CZ-C 3.42Å; R703-G765 PolarHBondContact NE-O 3.04Å; R703-G765 VanDerWaalsContact NE-O 3.13Å; R703-G765 PolarHBondContact NH2-O 3.27Å; N761-G765 CarbonylContact O-C 3.57Å; N761-G765 WeakPolarHBondContact O-CA 3.25Å; N761-G765 PolarHBondContact O-N 3.24Å; W762-G765 PolarHBondContact O-N 3.13Å; S763-G765 VanDerWaalsContact C-N 3.3Å |
| 766 | V | 71.5 | Confident | 74.3 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 7% | 0.067 | 26% | 0.259 | C | S | . | . | trans | -66.5 | 144.6 | 167.1 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | S295 L296 R703 N761 L764 | S295-V766 VanDerWaalsContact O-CG1 3.26Å; S295-V766 WeakPolarHBondContact O-CG1 3.32Å; S295-V766 WeakPolarHBondContact O-CG2 3.49Å; L296-V766 HydrophobicContact CD2-CG2 3.88Å; R703-V766 PolarHBondContact NH2-O 3.41Å; R703-V766 VanDerWaalsContact NH2-O 3.1Å; N761-V766 HydrophobicContact CB-CB 3.99Å; N761-V766 PolarHBondContact O-N 3.12Å; N761-V766 VanDerWaalsContact OD1-CB 3.25Å; N761-V766 WeakPolarHBondContact OD1-CB 3.38Å; N761-V766 WeakPolarHBondContact OD1-CG1 3.25Å; L764-V766 HydrophobicContact CB-CG2 4.01Å; L764-V766 HydrophobicContact CD1-CG2 4.46Å | ||
| 767 | Q | 61.9 | Low | 73.2 | Confident | 141 Ų | 141 | 49 Ų | 49 | 66% | 0.659 | 28% | 0.281 | S | S | * | . | trans | -86.5 | 126.8 | 169.7 | -70.5 | -175.6 | -26.2 | 0 | 0 | 108.4 | G769 | Q767-G769 PolarHBondContact O-N 3.43Š| ||
| 768 | S | 49.9 | Very low | 72.4 | Confident | 108 Ų | 108 | 49.6 Ų | 49.6 | 76% | 0.755 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -59.9 | 107.7 | 169 | -55.8 | 0 | 0 | 0 | 0 | 108.5 | ||
| 769 | G | 53.6 | Low | 71.6 | Confident | 68 Ų | 68 | 51.5 Ų | 51.5 | 70% | 0.701 | 29% | 0.291 | S | S | * | . | trans | 170.4 | 92.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q767 | Q767-G769 PolarHBondContact O-N 3.43Š| ||
| 770 | D | 50.4 | Low | 70.9 | Confident | 68 Ų | 68 | 56.7 Ų | 56.7 | 36% | 0.364 | 31% | 0.31 | S | S | . | . | trans | -96.1 | 133.2 | -167.9 | -129.5 | -27.8 | 0 | 0 | 0 | 112.7 | K772 I803 | D770-K772 HydrophobicContact CB-CD 4.37Å; D770-K772 HydrophobicContact CB-CG 3.75Å; D770-K772 VanDerWaalsContact CG-CE 3.46Å; D770-K772 WeakPolarHBondContact OD1-CG 3.43Å; D770-K772 WeakPolarHBondContact OD2-CE 3.3Å; D770-K772 WeakPolarHBondContact OD2-CG 3.24Å; D770-K772 IonicContact OD2-NZ 3.38Å; D770-I803 WeakPolarHBondContact OD1-CD1 3.43Å | ||
| 771 | K | 53 | Low | 70.7 | Confident | 152 Ų | 152 | 60.9 Ų | 60.9 | 66% | 0.661 | 33% | 0.331 | S | S | * | . | trans | -117.2 | 76 | 163.3 | -71.6 | -177.1 | -176.2 | 171.9 | 0 | 106.5 | ||||
| 772 | K | 59.9 | Low | 70.7 | Confident | 124 Ų | 124 | 59.6 Ų | 59.6 | 54% | 0.539 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.4 | -34.7 | -162.7 | -71.1 | -175.3 | 173.5 | -175.4 | 0 | 116.1 | D770 F774 K776 | D770-K772 HydrophobicContact CB-CD 4.37Å; D770-K772 HydrophobicContact CB-CG 3.75Å; D770-K772 VanDerWaalsContact CG-CE 3.46Å; D770-K772 WeakPolarHBondContact OD1-CG 3.43Å; D770-K772 WeakPolarHBondContact OD2-CE 3.3Å; D770-K772 WeakPolarHBondContact OD2-CG 3.24Å; D770-K772 IonicContact OD2-NZ 3.38Å; K772-F774 PolarHBondContact O-N 3.19Å; K772-K776 PolarHBondContact O-N 2.83Å |
| 773 | G | 68 | Low | 70.5 | Confident | 59 Ų | 59 | 59.1 Ų | 59.1 | 61% | 0.608 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.6 | -50.2 | -162.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | A777 | G773-A777 PolarHBondContact O-N 3.3Å |
| 774 | F | 73.1 | Confident | 70.3 | Confident | 70 Ų | 70 | 65.3 Ų | 65.3 | 31% | 0.307 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.6 | -43.5 | -171.9 | 174.8 | -100.8 | 0 | 0 | 0 | 113.5 | A276 F277 K278 Y293 K772 K776 A777 F778 | A276-F774 HydrophobicContact CB-CD1 4.44Å; A276-F774 HydrophobicContact CB-CE1 3.87Å; F277-F774 WeakPolarHBondContact O-CZ 3.31Å; K278-F774 HydrophobicContact CB-CE1 4.17Å; K278-F774 HydrophobicContact CB-CE2 4.09Å; K278-F774 HydrophobicContact CB-CZ 3.6Å; K278-F774 HydrophobicContact CD-CD1 4.17Å; K278-F774 HydrophobicContact CD-CD2 4.07Å; K278-F774 HydrophobicContact CD-CE1 3.95Å; K278-F774 HydrophobicContact CD-CE2 3.85Å; K278-F774 HydrophobicContact CD-CG 4.24Å; K278-F774 HydrophobicContact CD-CZ 3.82Å; K278-F774 HydrophobicContact CG-CE1 4.31Å; K278-F774 HydrophobicContact CG-CZ 4.16Å; Y293-F774 HydrophobicContact CD2-CD1 4.19Å; Y293-F774 AromaticContact CD2-CE1 4Å; Y293-F774 HydrophobicContact CD2-CE1 4Å; Y293-F774 AromaticContact CE2-CD1 3.94Å; Y293-F774 HydrophobicContact CE2-CD1 3.94Å; Y293-F774 AromaticContact CE2-CE1 3.81Å; Y293-F774 HydrophobicContact CE2-CE1 3.81Å; K772-F774 PolarHBondContact O-N 3.19Å; F774-K776 VanDerWaalsContact C-N 3.31Å; F774-K776 PolarHBondContact O-N 3.18Å; F774-A777 PolarHBondContact O-N 3.21Å; F774-F778 HydrophobicContact CE1-CB 4.49Å; F774-F778 HydrophobicContact CZ-CB 4.39Å; F774-F778 HydrophobicContact CZ-CD2 4.32Å; F774-F778 WeakPolarHBondContact O-CB 3.28Å; F774-F778 PolarHBondContact O-N 2.91Å |
| 775 | R | 74 | Confident | 70.2 | Confident | 33 Ų | 33 | 69.7 Ų | 69.7 | 13% | 0.125 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.7 | -40.5 | -177.8 | -64.1 | -179.3 | -173.9 | 147.6 | -14.1 | 111.1 | A276 Y293 N294 G297 F778 R779 | A276-R775 HydrophobicContact CB-CG 4.39Å; Y293-R775 HydrophobicContact CG-CG 4.49Å; N294-R775 PolarHBondContact O-NH2 3.34Å; G297-R775 PolarHBondContact O-NH2 3.3Å; R775-F778 PolarHBondContact O-N 3.04Å; R775-R779 PolarHBondContact O-N 2.91Å |
| 776 | K | 72.3 | Confident | 70.5 | Confident | 53 Ų | 53 | 69.9 Ų | 69.9 | 23% | 0.23 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 176 | -169.9 | 169.4 | -175.2 | 167.9 | 0 | 111.9 | K772 F774 R779 R780 E798 | K772-K776 PolarHBondContact O-N 2.83Å; F774-K776 VanDerWaalsContact C-N 3.31Å; F774-K776 PolarHBondContact O-N 3.18Å; K776-R779 PolarHBondContact O-N 3.24Å; K776-R780 WeakPolarHBondContact O-CG 3.39Å; K776-R780 PolarHBondContact O-N 3.24Å; K776-E798 VanDerWaalsContact NZ-C 3.34Å; K776-E798 PolarHBondContact NZ-O 3.44Å |
| 777 | A | 74.5 | Confident | 70.7 | Confident | 55 Ų | 55 | 72.4 Ų | 72.4 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G773 F774 R779 R780 L781 | G773-A777 PolarHBondContact O-N 3.3Å; F774-A777 PolarHBondContact O-N 3.21Å; A777-R779 PolarHBondContact O-N 3.22Å; A777-R780 PolarHBondContact O-N 3.41Å; A777-L781 PolarHBondContact O-N 3.46Å; A777-L781 VanDerWaalsContact O-N 3.08Å |
| 778 | F | 80.9 | Confident | 71.3 | Confident | 26 Ų | 26 | 70.5 Ų | 70.5 | 11% | 0.114 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 176 | -178 | -86.9 | 0 | 0 | 0 | 111.7 | F275 A276 F277 I320 F774 R775 L781 F782 | F275-F778 WeakPolarHBondContact O-CD1 3.32Å; F275-F778 WeakPolarHBondContact O-CE1 3.47Å; A276-F778 HydrophobicContact CB-CB 3.84Å; A276-F778 HydrophobicContact CB-CD1 3.58Å; A276-F778 HydrophobicContact CB-CD2 4.16Å; A276-F778 HydrophobicContact CB-CE1 4.18Å; A276-F778 HydrophobicContact CB-CG 3.58Å; F277-F778 AromaticContact CD1-CE2 3.88Å; F277-F778 HydrophobicContact CD1-CE2 3.88Å; F277-F778 AromaticContact CD1-CZ 3.82Å; F277-F778 HydrophobicContact CD1-CZ 3.82Å; F277-F778 AromaticContact CE1-CE2 3.82Å; F277-F778 HydrophobicContact CE1-CE2 3.82Å; F277-F778 AromaticContact CE1-CZ 3.74Å; F277-F778 HydrophobicContact CE1-CZ 3.74Å; F277-F778 HydrophobicContact CZ-CE2 4.46Å; I320-F778 HydrophobicContact CD1-CZ 4.07Å; F774-F778 HydrophobicContact CE1-CB 4.49Å; F774-F778 HydrophobicContact CZ-CB 4.39Å; F774-F778 HydrophobicContact CZ-CD2 4.32Å; F774-F778 WeakPolarHBondContact O-CB 3.28Å; F774-F778 PolarHBondContact O-N 2.91Å; R775-F778 PolarHBondContact O-N 3.04Å; F778-L781 PolarHBondContact O-N 3.02Å; F778-F782 HydrophobicContact CE1-CB 4.44Å; F778-F782 WeakPolarHBondContact O-CB 3.29Å; F778-F782 PolarHBondContact O-N 3.2Å |
| 779 | R | 78.3 | Confident | 72.5 | Confident | 40 Ų | 40 | 74.4 Ų | 74.4 | 15% | 0.151 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 177.8 | -178.2 | -177 | -67.2 | 161.7 | -0.4 | 111.6 | Q273 N274 R775 K776 A777 L781 F782 H783 E798 | Q273-R779 PolarHBondContact O-NE 3Å; Q273-R779 PolarHBondContact O-NH2 2.94Å; N274-R779 PolarHBondContact OD1-NH2 3.32Å; R775-R779 PolarHBondContact O-N 2.91Å; K776-R779 PolarHBondContact O-N 3.24Å; A777-R779 PolarHBondContact O-N 3.22Å; R779-L781 VanDerWaalsContact C-N 3.26Å; R779-L781 PolarHBondContact O-N 3.2Å; R779-F782 WeakPolarHBondContact O-CB 3.48Å; R779-F782 PolarHBondContact O-N 3.05Å; R779-F782 VanDerWaalsContact O-N 3.16Å; R779-H783 VanDerWaalsContact CG-CD2 3.49Å; R779-H783 WeakPolarHBondContact CG-CD2 3.07Å; R779-H783 PolarHBondContact O-CD2 2.77Å; R779-H783 VanDerWaalsContact O-CD2 3.26Å; R779-H783 PolarHBondContact O-N 3.19Å; R779-E798 WeakPolarHBondContact CD-OE1 3.2Å; R779-E798 IonicContact CZ-OE1 2.96Å; R779-E798 IonicContact NE-OE1 2.8Å; R779-E798 VanDerWaalsContact NH1-CD 3.31Å; R779-E798 IonicContact NH1-OE1 3.91Å; R779-E798 PolarHBondContact NH1-OE1 3.07Å; R779-E798 IonicContact NH1-OE2 3.54Å; R779-E798 PolarHBondContact NH1-OE2 2.74Å |
| 780 | R | 78.2 | Confident | 73.3 | Confident | 108 Ų | 108 | 74 Ų | 74 | 41% | 0.408 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -53.9 | -46.5 | 176.4 | -73 | 175.1 | 176.6 | 178.1 | -7.5 | 111.3 | K776 A777 H783 Q784 | K776-R780 WeakPolarHBondContact O-CG 3.39Å; K776-R780 PolarHBondContact O-N 3.24Å; A777-R780 PolarHBondContact O-N 3.41Å; R780-H783 PolarHBondContact O-N 2.98Å; R780-Q784 WeakPolarHBondContact O-CB 3.48Å; R780-Q784 VanDerWaalsContact O-CG 3.23Å; R780-Q784 WeakPolarHBondContact O-CG 3.42Å; R780-Q784 PolarHBondContact O-N 3.23Å |
| 781 | L | 79.2 | Confident | 74 | Confident | 94 Ų | 94 | 76 Ų | 76 | 49% | 0.492 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.5 | -41.1 | 178.8 | -169.3 | 137.3 | 0 | 0 | 0 | 112.5 | A777 F778 R779 Q784 N785 | A777-L781 PolarHBondContact O-N 3.46Å; A777-L781 VanDerWaalsContact O-N 3.08Å; F778-L781 PolarHBondContact O-N 3.02Å; R779-L781 VanDerWaalsContact C-N 3.26Å; R779-L781 PolarHBondContact O-N 3.2Å; L781-Q784 PolarHBondContact O-N 3.37Å; L781-N785 PolarHBondContact O-N 2.75Å; L781-N785 PolarHBondContact O-ND2 3.4Å |
| 782 | F | 82.4 | Confident | 74.3 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 1% | 0.013 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.6 | -49.8 | 174.3 | 174.3 | -102.2 | 0 | 0 | 0 | 111.4 | I320 Y321 R326 I329 Q330 F778 R779 Q784 N785 L786 | I320-F782 HydrophobicContact CB-CE2 4.18Å; I320-F782 HydrophobicContact CD1-CD2 3.9Å; I320-F782 HydrophobicContact CD1-CE2 4.29Å; I320-F782 HydrophobicContact CG1-CD2 4.35Å; I320-F782 HydrophobicContact CG1-CE2 4.22Å; Y321-F782 HydrophobicContact CD1-CD2 4.26Å; Y321-F782 AromaticContact CD1-CE2 3.8Å; Y321-F782 HydrophobicContact CD1-CE2 3.8Å; Y321-F782 AromaticContact CE1-CD2 3.64Å; Y321-F782 HydrophobicContact CE1-CD2 3.64Å; Y321-F782 AromaticContact CE1-CE2 3.67Å; Y321-F782 HydrophobicContact CE1-CE2 3.67Å; R326-F782 HydrophobicContact CG-CZ 4.17Å; I329-F782 HydrophobicContact CB-CZ 4.34Å; I329-F782 HydrophobicContact CG2-CD1 4.26Å; I329-F782 HydrophobicContact CG2-CE1 3.94Å; I329-F782 HydrophobicContact CG2-CE2 4.36Å; I329-F782 HydrophobicContact CG2-CZ 3.98Å; Q330-F782 HydrophobicContact CB-CE1 4.12Å; F778-F782 HydrophobicContact CE1-CB 4.44Å; F778-F782 WeakPolarHBondContact O-CB 3.29Å; F778-F782 PolarHBondContact O-N 3.2Å; R779-F782 WeakPolarHBondContact O-CB 3.48Å; R779-F782 PolarHBondContact O-N 3.05Å; R779-F782 VanDerWaalsContact O-N 3.16Å; F782-Q784 PolarHBondContact O-N 3.42Å; F782-N785 PolarHBondContact O-N 3.44Å; F782-L786 HydrophobicContact CE1-CD1 4.31Å; F782-L786 HydrophobicContact CE1-CD2 4.2Å; F782-L786 HydrophobicContact CE1-CG 4.4Å; F782-L786 HydrophobicContact CZ-CD2 4.09Å; F782-L786 PolarHBondContact O-N 3Å |
| 783 | H | 78.3 | Confident | 74 | Confident | 22 Ų | 22 | 75.9 Ų | 75.9 | 10% | 0.102 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.4 | -36.5 | -179.7 | -82 | -86 | 0 | 0 | 0 | 113.3 | Y331 R779 R780 N785 L786 L796 | Y331-H783 PolarHBondContact N-CE1 3.13Å; R779-H783 VanDerWaalsContact CG-CD2 3.49Å; R779-H783 WeakPolarHBondContact CG-CD2 3.07Å; R779-H783 PolarHBondContact O-CD2 2.77Å; R779-H783 VanDerWaalsContact O-CD2 3.26Å; R779-H783 PolarHBondContact O-N 3.19Å; R780-H783 PolarHBondContact O-N 2.98Å; H783-N785 VanDerWaalsContact C-N 3.26Å; H783-N785 PolarHBondContact O-N 2.86Å; H783-L786 HydrophobicContact CB-CD1 4.5Å; H783-L786 PolarHBondContact O-N 3.07Å; H783-L796 HydrophobicContact CB-CD1 4.47Å |
| 784 | Q | 79.5 | Confident | 73.3 | Confident | 132 Ų | 132 | 75.1 Ų | 75.1 | 62% | 0.617 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.6 | -36.5 | 174.8 | -78.4 | 171.9 | -8.7 | 0 | 0 | 112.6 | R780 L781 F782 K791 | R780-Q784 WeakPolarHBondContact O-CB 3.48Å; R780-Q784 VanDerWaalsContact O-CG 3.23Å; R780-Q784 WeakPolarHBondContact O-CG 3.42Å; R780-Q784 PolarHBondContact O-N 3.23Å; L781-Q784 PolarHBondContact O-N 3.37Å; F782-Q784 PolarHBondContact O-N 3.42Å; Q784-K791 VanDerWaalsContact O-CE 3.28Å; Q784-K791 WeakPolarHBondContact O-CE 3.32Å; Q784-K791 PolarHBondContact O-NZ 2.79Å |
| 785 | N | 82.7 | Confident | 72.3 | Confident | 95 Ų | 95 | 78.2 Ų | 78.2 | 51% | 0.508 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -0.8 | -178.7 | -71.8 | -62.5 | 0 | 0 | 0 | 114 | Y321 L781 F782 H783 | Y321-N785 HydrophobicContact CE1-CB 4.21Å; Y321-N785 WeakPolarHBondContact OH-CB 3.27Å; L781-N785 PolarHBondContact O-N 2.75Å; L781-N785 PolarHBondContact O-ND2 3.4Å; F782-N785 PolarHBondContact O-N 3.44Å; H783-N785 VanDerWaalsContact C-N 3.26Å; H783-N785 PolarHBondContact O-N 2.86Å |
| 786 | L | 79.7 | Confident | 71.4 | Confident | 6 Ų | 6 | 79 Ų | 79 | 3% | 0.031 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -63.3 | 141.6 | 173 | -77.5 | 170.8 | 0 | 0 | 0 | 110.3 | Y321 R326 F782 H783 K791 | Y321-L786 HydrophobicContact CD1-CD2 4.44Å; R326-L786 HydrophobicContact CG-CD2 4.36Å; F782-L786 HydrophobicContact CE1-CD1 4.31Å; F782-L786 HydrophobicContact CE1-CD2 4.2Å; F782-L786 HydrophobicContact CE1-CG 4.4Å; F782-L786 HydrophobicContact CZ-CD2 4.09Å; F782-L786 PolarHBondContact O-N 3Å; H783-L786 HydrophobicContact CB-CD1 4.5Å; H783-L786 PolarHBondContact O-N 3.07Å; L786-K791 HydrophobicContact CB-CG 4.36Å; L786-K791 WeakPolarHBondContact O-CE 3.46Å |
| 787 | P | 75.4 | Confident | 70.2 | Confident | 64 Ų | 64 | 81.5 Ų | 81.5 | 42% | 0.416 | 41% | 0.413 | S | S | . | . | trans | -53.5 | 144.9 | 168.2 | -24.5 | 31.5 | 0 | 0 | 0 | 111.4 | R789 Y790 K791 | P787-R789 HydrophobicContact CB-CG 4.31Å; P787-R789 PolarHBondContact O-N 2.85Å; P787-Y790 HydrophobicContact CB-CD2 3.89Å; P787-Y790 HydrophobicContact CB-CE2 4.36Å; P787-Y790 HydrophobicContact CG-CD2 3.91Å; P787-Y790 HydrophobicContact CG-CE2 4.22Å; P787-Y790 PolarHBondContact O-N 2.93Å; P787-K791 PolarHBondContact O-N 2.98Å | ||
| 788 | S | 74 | Confident | 69 | Low | 101 Ų | 101 | 80.4 Ų | 80.4 | 71% | 0.706 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -52.4 | -35.9 | -174.5 | -43.5 | 0 | 0 | 0 | 0 | 113.6 | Y790 K791 | S788-Y790 PolarHBondContact O-N 3.35Å; S788-Y790 VanDerWaalsContact O-N 3.09Å; S788-K791 PolarHBondContact O-N 3.2Å |
| 789 | R | 74.3 | Confident | 67.2 | Low | 190 Ų | 190 | 83.6 Ų | 83.6 | 72% | 0.717 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -61.2 | -15.7 | 176.2 | 72.7 | -178.4 | -174 | -171.2 | 2.7 | 114.9 | P787 | P787-R789 HydrophobicContact CB-CG 4.31Å; P787-R789 PolarHBondContact O-N 2.85Å |
| 790 | Y | 70.2 | Confident | 65.7 | Low | 59 Ų | 59 | 90.8 Ų | 90.8 | 23% | 0.231 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -112.6 | -0.8 | 177.5 | -57.6 | -64.2 | 0 | 0 | 0 | 112.7 | R326 P787 S788 N792 | R326-Y790 VanDerWaalsContact CZ-CZ 3.44Å; R326-Y790 PolarHBondContact NH1-OH 3.1Å; R326-Y790 PolarHBondContact NH2-OH 2.76Å; P787-Y790 HydrophobicContact CB-CD2 3.89Å; P787-Y790 HydrophobicContact CB-CE2 4.36Å; P787-Y790 HydrophobicContact CG-CD2 3.91Å; P787-Y790 HydrophobicContact CG-CE2 4.22Å; P787-Y790 PolarHBondContact O-N 2.93Å; S788-Y790 PolarHBondContact O-N 3.35Å; S788-Y790 VanDerWaalsContact O-N 3.09Å; Y790-N792 PolarHBondContact O-N 3.08Å |
| 791 | K | 67.1 | Low | 64.5 | Low | 110 Ų | 110 | 91.2 Ų | 91.2 | 48% | 0.478 | 46% | 0.459 | S | S | . | . | trans | -79.9 | 97 | 173.5 | -67.7 | -170.9 | -177.7 | -174 | 0 | 108.2 | Q784 L786 P787 S788 | Q784-K791 VanDerWaalsContact O-CE 3.28Å; Q784-K791 WeakPolarHBondContact O-CE 3.32Å; Q784-K791 PolarHBondContact O-NZ 2.79Å; L786-K791 HydrophobicContact CB-CG 4.36Å; L786-K791 WeakPolarHBondContact O-CE 3.46Å; P787-K791 PolarHBondContact O-N 2.98Å; S788-K791 PolarHBondContact O-N 3.2Å | ||
| 792 | N | 59 | Low | 63.5 | Low | 95 Ų | 95 | 92.2 Ų | 92.2 | 51% | 0.508 | 46% | 0.461 | S | S | . | . | trans | -74.4 | 148 | 166.8 | -65.5 | -19 | 0 | 0 | 0 | 108.9 | Y790 I794 | Y790-N792 PolarHBondContact O-N 3.08Å; N792-I794 HydrophobicContact CB-CD1 3.75Å; N792-I794 HydrophobicContact CB-CG1 3.64Å; N792-I794 PolarHBondContact O-N 3.06Å | ||
| 793 | N | 52.2 | Low | 62.7 | Low | 178 Ų | 178 | 93.2 Ų | 93.2 | 95% | 0.952 | 47% | 0.466 | S | S | * | . | trans | -66.1 | 69.5 | 167.9 | -77.7 | -16.8 | 0 | 0 | 0 | 109.4 | ||||
| 794 | I | 55.1 | Low | 62.2 | Low | 44 Ų | 44 | 92.5 Ų | 92.5 | 23% | 0.226 | 47% | 0.465 | C | S | . | . | trans | -93.3 | 119.7 | 178.8 | -61.4 | 159.5 | 0 | 0 | 0 | 106.4 | Y331 N792 L796 | Y331-I794 HydrophobicContact CD1-CD1 3.35Å; Y331-I794 HydrophobicContact CD1-CG1 3.87Å; Y331-I794 HydrophobicContact CE1-CD1 4.14Å; Y331-I794 HydrophobicContact CE1-CG1 4.15Å; Y331-I794 HydrophobicContact CG-CD1 3.6Å; Y331-I794 HydrophobicContact CG-CG1 4.38Å; N792-I794 HydrophobicContact CB-CD1 3.75Å; N792-I794 HydrophobicContact CB-CG1 3.64Å; N792-I794 PolarHBondContact O-N 3.06Å; I794-L796 HydrophobicContact CG2-CD2 4.19Å; I794-L796 HydrophobicContact CG2-CG 4.37Å; I794-L796 PolarHBondContact O-N 2.84Å | ||
| 795 | D | 51.3 | Low | 62.4 | Low | 134 Ų | 134 | 88.9 Ų | 88.9 | 72% | 0.717 | 45% | 0.449 | S | S | * | . | trans | -65.1 | 101.3 | 161.6 | -170.2 | 1.8 | 0 | 0 | 0 | 108.1 | D797 | D795-D797 PolarHBondContact O-N 2.98Å; D795-D797 VanDerWaalsContact O-N 3.15Å; D795-D797 VanDerWaalsContact OD1-CB 3.24Å; D795-D797 WeakPolarHBondContact OD1-CB 3.37Å; D795-D797 PolarHBondContact OD1-N 2.89Å; D795-D797 VanDerWaalsContact OD1-N 3.1Å | ||
| 796 | L | 54.2 | Low | 62.8 | Low | 51 Ų | 51 | 84.9 Ų | 84.9 | 27% | 0.267 | 43% | 0.428 | S | S | . | . | trans | -76.4 | 18 | 176.6 | -73.7 | 169.3 | 0 | 0 | 0 | 111.8 | H783 I794 E798 | H783-L796 HydrophobicContact CB-CD1 4.47Å; I794-L796 HydrophobicContact CG2-CD2 4.19Å; I794-L796 HydrophobicContact CG2-CG 4.37Å; I794-L796 PolarHBondContact O-N 2.84Å; L796-E798 PolarHBondContact O-N 2.85Å | ||
| 797 | D | 47.1 | Very low | 63.5 | Low | 104 Ų | 104 | 88.5 Ų | 88.5 | 56% | 0.556 | 44% | 0.443 | S | S | * | . | trans | -70.9 | 57.4 | 171 | -153.6 | 7.9 | 0 | 0 | 0 | 112.2 | D795 T799 | D795-D797 PolarHBondContact O-N 2.98Å; D795-D797 VanDerWaalsContact O-N 3.15Å; D795-D797 VanDerWaalsContact OD1-CB 3.24Å; D795-D797 WeakPolarHBondContact OD1-CB 3.37Å; D795-D797 PolarHBondContact OD1-N 2.89Å; D795-D797 VanDerWaalsContact OD1-N 3.1Å; D797-T799 PolarHBondContact O-N 3.42Å; D797-T799 WeakPolarHBondContact OD1-CG2 3.42Å | ||
| 798 | E | 50.3 | Low | 64.4 | Low | 32 Ų | 32 | 85.5 Ų | 85.5 | 15% | 0.15 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 36.9 | 179.4 | -58.5 | 175.2 | 147.5 | 0 | 0 | 111.8 | K776 R779 L796 K800 | K776-E798 VanDerWaalsContact NZ-C 3.34Å; K776-E798 PolarHBondContact NZ-O 3.44Å; R779-E798 WeakPolarHBondContact CD-OE1 3.2Å; R779-E798 IonicContact CZ-OE1 2.96Å; R779-E798 IonicContact NE-OE1 2.8Å; R779-E798 VanDerWaalsContact NH1-CD 3.31Å; R779-E798 IonicContact NH1-OE1 3.91Å; R779-E798 PolarHBondContact NH1-OE1 3.07Å; R779-E798 IonicContact NH1-OE2 3.54Å; R779-E798 PolarHBondContact NH1-OE2 2.74Å; L796-E798 PolarHBondContact O-N 2.85Å; E798-K800 PolarHBondContact O-N 2.81Å |
| 799 | T | 42.9 | Very low | 65.6 | Low | 93 Ų | 93 | 80.9 Ų | 80.9 | 57% | 0.571 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -19.1 | 174.7 | 49.8 | 0 | 0 | 0 | 0 | 111.8 | D797 | D797-T799 PolarHBondContact O-N 3.42Å; D797-T799 WeakPolarHBondContact OD1-CG2 3.42Å |
| 800 | K | 46.1 | Very low | 66.7 | Low | 192 Ų | 192 | 72.4 Ų | 72.4 | 84% | 0.835 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -110.4 | -13.4 | -170.3 | -66.5 | -178.3 | 178.6 | 176.9 | 0 | 117.3 | E798 Q802 | E798-K800 PolarHBondContact O-N 2.81Å; K800-Q802 PolarHBondContact O-N 2.86Å |
| 801 | E | 53.4 | Low | 67.9 | Low | 116 Ų | 116 | 72 Ų | 72 | 54% | 0.542 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 121.3 | -174.4 | -68.7 | -165.5 | 156.9 | 0 | 0 | 113.3 | ||
| 802 | Q | 57.7 | Low | 69.3 | Low | 116 Ų | 116 | 66.8 Ų | 66.8 | 54% | 0.542 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 130.3 | 172.3 | -72.8 | -178 | 4.9 | 0 | 0 | 110.2 | K800 G804 L805 | K800-Q802 PolarHBondContact O-N 2.86Å; Q802-G804 PolarHBondContact O-N 3.44Å; Q802-L805 HydrophobicContact CB-CB 3.99Å; Q802-L805 HydrophobicContact CB-CD2 4.41Å; Q802-L805 WeakPolarHBondContact O-CB 3.29Å; Q802-L805 PolarHBondContact O-N 3.26Å; Q802-L805 VanDerWaalsContact O-N 3.11Å |
| 803 | I | 65.4 | Low | 71.2 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 12% | 0.118 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 128.6 | 170.5 | -60.6 | -172.1 | 0 | 0 | 0 | 109.1 | N761 D770 | N761-I803 PolarHBondContact ND2-O 3.42Å; N761-I803 PolarHBondContact OD1-O 3.1Å; D770-I803 WeakPolarHBondContact OD1-CD1 3.43Å |
| 804 | G | 69.6 | Low | 73.4 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 4.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A760 N761 Q802 | A760-G804 CarbonylContact C-O 3.54Å; A760-G804 VanDerWaalsContact C-O 3.25Å; A760-G804 VanDerWaalsContact CA-O 3.32Å; A760-G804 WeakPolarHBondContact CA-O 3.25Å; N761-G804 WeakPolarHBondContact OD1-CA 3.27Å; Q802-G804 PolarHBondContact O-N 3.44Å |
| 805 | L | 83.3 | Confident | 75.4 | Confident | 56 Ų | 56 | 56.2 Ų | 56.2 | 29% | 0.293 | 28% | 0.282 | S | S | . | . | trans | -92.6 | 126.1 | 166.4 | 179.8 | 61.7 | 0 | 0 | 0 | 109.6 | V759 Q802 F1006 | V759-L805 WeakPolarHBondContact O-CA 3.38Å; Q802-L805 HydrophobicContact CB-CB 3.99Å; Q802-L805 HydrophobicContact CB-CD2 4.41Å; Q802-L805 WeakPolarHBondContact O-CB 3.29Å; Q802-L805 PolarHBondContact O-N 3.26Å; Q802-L805 VanDerWaalsContact O-N 3.11Å; L805-F1006 HydrophobicContact CD1-CB 3.75Å; L805-F1006 VanDerWaalsContact CD1-N 3.26Å | ||
| 806 | E | 90.6 | Very high | 77.6 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 5% | 0.051 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 134.8 | 170.4 | -170.4 | 178.6 | 143.9 | 0 | 0 | 109.3 | G335 S336 Y337 R757 S758 V759 S808 G1005 | G335-E806 WeakPolarHBondContact O-CG 3.42Å; S336-E806 WeakPolarHBondContact CA-OE1 3.41Å; Y337-E806 PolarHBondContact N-OE1 3.07Å; Y337-E806 VanDerWaalsContact N-OE1 3.09Å; R757-E806 VanDerWaalsContact CG-CD 3.49Å; R757-E806 HydrophobicContact CG-CG 4.3Å; R757-E806 WeakPolarHBondContact CG-OE1 3.33Å; R757-E806 IonicContact CZ-OE2 3.74Å; R757-E806 IonicContact NE-OE1 3.8Å; R757-E806 IonicContact NE-OE2 2.77Å; R757-E806 PolarHBondContact NE-OE2 3.36Å; R757-E806 IonicContact NH2-OE2 3.88Å; R757-E806 PolarHBondContact NH2-OE2 2.99Å; S758-E806 CarbonylContact C-O 3.53Å; S758-E806 WeakPolarHBondContact CA-O 3.39Å; V759-E806 HydrophobicContact CG2-CB 3.77Å; V759-E806 PolarHBondContact N-O 2.89Å; V759-E806 PolarHBondContact O-N 3.33Å; E806-S808 PolarHBondContact OE1-OG 2.93Å; E806-G1005 WeakPolarHBondContact O-CA 3.37Å |
| 807 | K | 93.3 | Very high | 79.7 | Confident | 83 Ų | 83 | 47.4 Ų | 47.4 | 36% | 0.361 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 39.4 | -179.6 | 57.2 | 175.9 | -177.2 | 174.3 | 0 | 110.9 | V809 L810 N811 | K807-V809 PolarHBondContact O-N 3.08Å; K807-L810 HydrophobicContact CD-CD2 4.49Å; K807-L810 PolarHBondContact O-N 3.18Å; K807-L810 VanDerWaalsContact O-N 3.17Å; K807-N811 PolarHBondContact O-N 3.17Å; K807-N811 VanDerWaalsContact O-N 3.1Å |
| 808 | S | 95.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -26.6 | -174.2 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | F334 R757 E806 A812 | F334-S808 WeakPolarHBondContact O-CA 3.28Å; R757-S808 PolarHBondContact N-OG 2.86Å; R757-S808 PolarHBondContact O-N 2.95Å; R757-S808 PolarHBondContact O-OG 3.36Å; E806-S808 PolarHBondContact OE1-OG 2.93Å; S808-A812 WeakPolarHBondContact O-CB 3.38Å; S808-A812 PolarHBondContact O-N 2.91Å |
| 809 | V | 97.6 | Very high | 84.3 | Confident | 4 Ų | 4 | 48.6 Ų | 48.6 | 2% | 0.024 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -55.1 | 170.6 | 179.4 | 0 | 0 | 0 | 0 | 111.3 | L756 K807 N811 A812 Y813 A996 M1003 | L756-V809 HydrophobicContact CB-CG2 3.93Å; K807-V809 PolarHBondContact O-N 3.08Å; V809-N811 PolarHBondContact O-N 2.76Å; V809-A812 PolarHBondContact O-N 2.95Å; V809-Y813 HydrophobicContact CG1-CD2 3.98Å; V809-Y813 HydrophobicContact CG1-CE2 4.01Å; V809-Y813 WeakPolarHBondContact O-CD2 3.49Å; V809-Y813 PolarHBondContact O-N 3.4Å; V809-A996 HydrophobicContact CG1-CB 3.76Å; V809-M1003 HydrophobicContact CG1-CE 4.32Å; V809-M1003 HydrophobicContact CG1-SD 4.02Å |
| 810 | L | 97.4 | Very high | 87 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.063 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 179.7 | 172.8 | 60.5 | 0 | 0 | 0 | 111.7 | K807 A812 Y813 I814 N879 I881 M1003 L1004 | K807-L810 HydrophobicContact CD-CD2 4.49Å; K807-L810 PolarHBondContact O-N 3.18Å; K807-L810 VanDerWaalsContact O-N 3.17Å; L810-A812 VanDerWaalsContact C-N 3.25Å; L810-A812 PolarHBondContact O-N 2.71Å; L810-Y813 WeakPolarHBondContact O-CB 3.27Å; L810-Y813 PolarHBondContact O-N 3.4Å; L810-Y813 VanDerWaalsContact O-N 3.16Å; L810-I814 HydrophobicContact CD1-CD1 4.28Å; L810-I814 HydrophobicContact CD1-CG1 3.9Å; L810-I814 HydrophobicContact CG-CG1 4.42Å; L810-I814 WeakPolarHBondContact O-CG1 3.23Å; L810-I814 PolarHBondContact O-N 3.14Å; L810-N879 HydrophobicContact CD1-CB 4.22Å; L810-I881 HydrophobicContact CD1-CD1 3.9Å; L810-I881 HydrophobicContact CD1-CG1 3.78Å; L810-M1003 HydrophobicContact CB-CB 4.1Å; L810-M1003 VanDerWaalsContact CB-O 3.25Å; L810-M1003 WeakPolarHBondContact CB-O 3.39Å; L810-M1003 HydrophobicContact CB-SD 4.1Å; L810-M1003 HydrophobicContact CD1-CB 4.17Å; L810-M1003 HydrophobicContact CD1-CG 4.48Å; L810-M1003 HydrophobicContact CD1-SD 4.4Å; L810-M1003 HydrophobicContact CD2-CB 4.28Å; L810-M1003 HydrophobicContact CG-CB 4.41Å; L810-L1004 HydrophobicContact CD2-CD2 4.18Å |
| 811 | N | 96 | Very high | 89.4 | Confident | 52 Ų | 52 | 39.9 Ų | 39.9 | 28% | 0.278 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59 | -39.4 | 179.3 | -70.5 | -12.2 | 0 | 0 | 0 | 111.4 | F334 K807 V809 D815 | F334-N811 HydrophobicContact CB-CB 3.91Å; F334-N811 PolarHBondContact O-ND2 2.8Å; K807-N811 PolarHBondContact O-N 3.17Å; K807-N811 VanDerWaalsContact O-N 3.1Å; V809-N811 PolarHBondContact O-N 2.76Å; N811-D815 VanDerWaalsContact O-CB 3.29Å; N811-D815 WeakPolarHBondContact O-CB 3.34Å; N811-D815 PolarHBondContact O-N 2.85Å |
| 812 | A | 97.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F334 L756 S808 V809 L810 D815 M816 I992 | F334-A812 HydrophobicContact CD1-CB 4.19Å; F334-A812 HydrophobicContact CD2-CB 3.73Å; F334-A812 HydrophobicContact CE1-CB 4.32Å; F334-A812 HydrophobicContact CE2-CB 3.82Å; F334-A812 HydrophobicContact CG-CB 3.89Å; F334-A812 HydrophobicContact CZ-CB 4.13Å; L756-A812 HydrophobicContact CD1-CB 3.75Å; S808-A812 WeakPolarHBondContact O-CB 3.38Å; S808-A812 PolarHBondContact O-N 2.91Å; V809-A812 PolarHBondContact O-N 2.95Å; L810-A812 VanDerWaalsContact C-N 3.25Å; L810-A812 PolarHBondContact O-N 2.71Å; A812-D815 PolarHBondContact O-N 3.05Å; A812-M816 WeakPolarHBondContact O-CB 3.34Å; A812-M816 VanDerWaalsContact O-CG 3.24Å; A812-M816 WeakPolarHBondContact O-CG 3.34Å; A812-M816 PolarHBondContact O-N 3.38Å; A812-I992 HydrophobicContact CB-CD1 3.75Å |
| 813 | Y | 98.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.7 | -52 | 175 | -96.3 | -94.2 | 0 | 0 | 0 | 111.7 | V809 L810 D815 M816 I817 I881 M984 I992 I998 M1003 | V809-Y813 HydrophobicContact CG1-CD2 3.98Å; V809-Y813 HydrophobicContact CG1-CE2 4.01Å; V809-Y813 WeakPolarHBondContact O-CD2 3.49Å; V809-Y813 PolarHBondContact O-N 3.4Å; L810-Y813 WeakPolarHBondContact O-CB 3.27Å; L810-Y813 PolarHBondContact O-N 3.4Å; L810-Y813 VanDerWaalsContact O-N 3.16Å; Y813-D815 PolarHBondContact O-N 3.43Å; Y813-M816 PolarHBondContact O-N 3.24Å; Y813-I817 WeakPolarHBondContact O-CB 3.19Å; Y813-I817 WeakPolarHBondContact O-CD1 3.4Å; Y813-I817 VanDerWaalsContact O-CG1 3.23Å; Y813-I817 WeakPolarHBondContact O-CG1 3.37Å; Y813-I817 PolarHBondContact O-N 3.03Å; Y813-I881 HydrophobicContact CD1-CD1 4.12Å; Y813-I881 HydrophobicContact CG-CD1 4.09Å; Y813-M984 HydrophobicContact CD1-CE 3.54Å; Y813-M984 HydrophobicContact CD1-SD 3.71Å; Y813-M984 HydrophobicContact CE1-CB 3.79Å; Y813-M984 HydrophobicContact CE1-CE 3.97Å; Y813-M984 HydrophobicContact CE1-CG 4.45Å; Y813-M984 HydrophobicContact CE1-SD 3.85Å; Y813-M984 HydrophobicContact CG-CE 4.03Å; Y813-I992 HydrophobicContact CD2-CD1 3.69Å; Y813-I992 HydrophobicContact CD2-CG2 4.38Å; Y813-I992 HydrophobicContact CE1-CG2 4.41Å; Y813-I992 HydrophobicContact CE2-CD1 3.73Å; Y813-I992 HydrophobicContact CE2-CG1 4.1Å; Y813-I992 HydrophobicContact CE2-CG2 3.97Å; Y813-I998 HydrophobicContact CE1-CD1 4.27Å; Y813-I998 HydrophobicContact CE1-CG1 4.46Å; Y813-M1003 HydrophobicContact CD2-CE 4.02Å; Y813-M1003 HydrophobicContact CE2-CE 3.93Å; Y813-M1003 HydrophobicContact CG-CE 4.48Å |
| 814 | I | 97.9 | Very high | 95 | Very high | 39 Ų | 39 | 28.5 Ų | 28.5 | 20% | 0.2 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.3 | -45.2 | -178.7 | -62.5 | -64.1 | 0 | 0 | 0 | 111.2 | L810 I817 N818 R880 I881 A884 | L810-I814 HydrophobicContact CD1-CD1 4.28Å; L810-I814 HydrophobicContact CD1-CG1 3.9Å; L810-I814 HydrophobicContact CG-CG1 4.42Å; L810-I814 WeakPolarHBondContact O-CG1 3.23Å; L810-I814 PolarHBondContact O-N 3.14Å; I814-I817 PolarHBondContact O-N 2.82Å; I814-N818 WeakPolarHBondContact CG2-ND2 3.43Å; I814-N818 WeakPolarHBondContact O-CB 3.49Å; I814-N818 PolarHBondContact O-N 3.47Å; I814-N818 PolarHBondContact O-ND2 3.04Å; I814-R880 HydrophobicContact CD1-CB 4.28Å; I814-R880 WeakPolarHBondContact CD1-O 3.3Å; I814-I881 HydrophobicContact CD1-CG1 3.97Å; I814-A884 HydrophobicContact CD1-CB 3.85Å |
| 815 | D | 97 | Very high | 96.4 | Very high | 51 Ų | 51 | 28.2 Ų | 28.2 | 27% | 0.273 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.2 | -47.1 | 179 | -175.9 | 69.5 | 0 | 0 | 0 | 112.2 | F334 N811 A812 Y813 I817 N818 Q819 | F334-D815 HydrophobicContact CD1-CB 4.26Å; F334-D815 HydrophobicContact CE1-CB 3.65Å; F334-D815 WeakPolarHBondContact CE1-OD2 3.22Å; N811-D815 VanDerWaalsContact O-CB 3.29Å; N811-D815 WeakPolarHBondContact O-CB 3.34Å; N811-D815 PolarHBondContact O-N 2.85Å; A812-D815 PolarHBondContact O-N 3.05Å; Y813-D815 PolarHBondContact O-N 3.43Å; D815-I817 PolarHBondContact O-N 3.26Å; D815-N818 PolarHBondContact O-N 3.25Å; D815-Q819 WeakPolarHBondContact O-CB 3.41Å; D815-Q819 WeakPolarHBondContact O-CG 3.47Å; D815-Q819 PolarHBondContact O-N 3Å; D815-Q819 PolarHBondContact OD1-NE2 3.04Å; D815-Q819 PolarHBondContact OD2-NE2 3.35Å |
| 816 | M | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.9 | -43.1 | 178.8 | -73.8 | 177.3 | 62.5 | 0 | 0 | 112.2 | A812 Y813 Q819 A820 M984 V986 K990 I992 I1014 | A812-M816 WeakPolarHBondContact O-CB 3.34Å; A812-M816 VanDerWaalsContact O-CG 3.24Å; A812-M816 WeakPolarHBondContact O-CG 3.34Å; A812-M816 PolarHBondContact O-N 3.38Å; Y813-M816 PolarHBondContact O-N 3.24Å; M816-Q819 PolarHBondContact O-N 3.03Å; M816-A820 PolarHBondContact O-N 2.9Å; M816-M984 HydrophobicContact CB-CE 3.69Å; M816-M984 HydrophobicContact CE-CE 4.02Å; M816-M984 HydrophobicContact CG-CE 4.5Å; M816-M984 HydrophobicContact SD-CE 4.12Å; M816-V986 HydrophobicContact CB-CG2 4.09Å; M816-V986 HydrophobicContact CE-CB 4.26Å; M816-V986 HydrophobicContact CE-CG2 3.93Å; M816-K990 HydrophobicContact CE-CB 3.64Å; M816-K990 HydrophobicContact CG-CD 4.4Å; M816-I992 HydrophobicContact CE-CB 4.31Å; M816-I992 HydrophobicContact CE-CG2 4Å; M816-I992 HydrophobicContact SD-CB 3.9Å; M816-I992 HydrophobicContact SD-CG2 3.85Å; M816-I1014 HydrophobicContact CG-CD1 4.11Å; M816-I1014 HydrophobicContact SD-CD1 3.53Å; M816-I1014 VanDerWaalsContact SD-CD1 3.53Å; M816-I1014 HydrophobicContact SD-CG1 4.06Å |
| 817 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.3 | -45.6 | 178 | -70.1 | 162.6 | 0 | 0 | 0 | 110.7 | Y813 I814 D815 Q819 A820 I824 I881 A884 I885 R888 M984 | Y813-I817 WeakPolarHBondContact O-CB 3.19Å; Y813-I817 WeakPolarHBondContact O-CD1 3.4Å; Y813-I817 VanDerWaalsContact O-CG1 3.23Å; Y813-I817 WeakPolarHBondContact O-CG1 3.37Å; Y813-I817 PolarHBondContact O-N 3.03Å; I814-I817 PolarHBondContact O-N 2.82Å; D815-I817 PolarHBondContact O-N 3.26Å; I817-Q819 PolarHBondContact O-N 3.5Å; I817-A820 WeakPolarHBondContact O-CB 3.47Å; I817-A820 PolarHBondContact O-N 3.13Å; I817-I824 HydrophobicContact CB-CD1 4.33Å; I817-I824 HydrophobicContact CG1-CD1 4.23Å; I817-I824 HydrophobicContact CG2-CD1 3.89Å; I817-I881 HydrophobicContact CD1-CG2 3.85Å; I817-A884 HydrophobicContact CB-CB 4.22Å; I817-A884 HydrophobicContact CD1-CB 4.47Å; I817-A884 VanDerWaalsContact CG2-C 3.45Å; I817-A884 HydrophobicContact CG2-CB 3.65Å; I817-A884 WeakPolarHBondContact CG2-O 3.44Å; I817-I885 HydrophobicContact CD1-CG1 4.06Å; I817-I885 HydrophobicContact CG1-CG1 4.48Å; I817-I885 HydrophobicContact CG2-CG1 4.07Å; I817-R888 HydrophobicContact CG2-CB 4.25Å; I817-R888 WeakPolarHBondContact O-CG 3.43Å; I817-M984 HydrophobicContact CD1-CE 4.49Å; I817-M984 HydrophobicContact CD1-SD 4.05Å; I817-M984 HydrophobicContact CG1-CE 4.09Å; I817-M984 HydrophobicContact CG1-SD 3.74Å |
| 818 | N | 97.6 | Very high | 97.7 | Very high | 72 Ų | 72 | 21 Ų | 21 | 39% | 0.385 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -64.1 | -30.7 | -180 | -72.7 | -22.9 | 0 | 0 | 0 | 112.7 | I814 D815 | I814-N818 WeakPolarHBondContact CG2-ND2 3.43Å; I814-N818 WeakPolarHBondContact O-CB 3.49Å; I814-N818 PolarHBondContact O-N 3.47Å; I814-N818 PolarHBondContact O-ND2 3.04Å; D815-N818 PolarHBondContact O-N 3.25Å |
| 819 | Q | 96.6 | Very high | 97.7 | Very high | 89 Ų | 89 | 21.9 Ų | 21.9 | 42% | 0.416 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -89.2 | -7.6 | 178.9 | -70.6 | 177.4 | 31.9 | 0 | 0 | 114.4 | D815 M816 I817 | D815-Q819 WeakPolarHBondContact O-CB 3.41Å; D815-Q819 WeakPolarHBondContact O-CG 3.47Å; D815-Q819 PolarHBondContact O-N 3Å; D815-Q819 PolarHBondContact OD1-NE2 3.04Å; D815-Q819 PolarHBondContact OD2-NE2 3.35Å; M816-Q819 PolarHBondContact O-N 3.03Å; I817-Q819 PolarHBondContact O-N 3.5Å |
| 820 | A | 98.2 | Very high | 97.6 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 2% | 0.017 | 11% | 0.114 | C | C | . | . | trans | -56.4 | 146.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | M816 I817 I824 R888 F899 V986 D987 | M816-A820 PolarHBondContact O-N 2.9Å; I817-A820 WeakPolarHBondContact O-CB 3.47Å; I817-A820 PolarHBondContact O-N 3.13Å; A820-I824 HydrophobicContact CB-CD1 3.99Å; A820-I824 HydrophobicContact CB-CG1 3.68Å; A820-R888 HydrophobicContact CB-CG 4.49Å; A820-R888 PolarHBondContact O-NE 3.26Å; A820-R888 PolarHBondContact O-NH2 3.04Å; A820-F899 HydrophobicContact CB-CE2 3.82Å; A820-F899 HydrophobicContact CB-CZ 3.83Å; A820-V986 HydrophobicContact CB-CG1 3.5Å; A820-V986 VanDerWaalsContact CB-CG1 3.5Å; A820-D987 WeakPolarHBondContact CA-OD2 3.47Å | ||
| 821 | E | 96.6 | Very high | 97.6 | Very high | 99 Ų | 99 | 22.5 Ų | 22.5 | 46% | 0.463 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -116 | -39 | -176.6 | -75.3 | 172.7 | 172.8 | 0 | 0 | 111.9 | R888 F899 D987 K989 | E821-R888 PolarHBondContact O-NH2 2.9Å; E821-R888 VanDerWaalsContact O-NH2 3.12Å; E821-F899 WeakPolarHBondContact O-CD2 3.21Å; E821-D987 PolarHBondContact N-OD1 3.45Å; E821-D987 PolarHBondContact N-OD2 2.95Å; E821-K989 IonicContact OE2-NZ 2.8Å; E821-K989 PolarHBondContact OE2-NZ 2.9Å |
| 822 | N | 97.5 | Very high | 97.5 | Very high | 17 Ų | 17 | 20.1 Ų | 20.1 | 9% | 0.091 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -129.1 | -46.2 | -167.8 | -45 | -87.8 | 0 | 0 | 0 | 111.9 | F899 R900 D987 F1028 V1074 | N822-F899 VanDerWaalsContact C-CD2 3.41Å; N822-F899 VanDerWaalsContact O-CA 3.23Å; N822-F899 WeakPolarHBondContact O-CA 3.25Å; N822-F899 VanDerWaalsContact O-CD2 3.3Å; N822-F899 WeakPolarHBondContact O-CD2 3.31Å; N822-R900 PolarHBondContact O-N 2.9Å; N822-D987 WeakPolarHBondContact CA-OD1 3.44Å; N822-D987 VanDerWaalsContact CB-OD1 3.32Å; N822-D987 WeakPolarHBondContact CB-OD1 3.47Å; N822-D987 PolarHBondContact N-OD1 2.87Å; N822-D987 PolarHBondContact ND2-OD1 3.06Å; N822-D987 VanDerWaalsContact ND2-OD1 3.12Å; N822-F1028 HydrophobicContact CB-CB 4.24Å; N822-F1028 HydrophobicContact CB-CD2 3.7Å; N822-F1028 HydrophobicContact CB-CG 4.31Å; N822-V1074 HydrophobicContact CB-CG1 4.27Å; N822-V1074 VanDerWaalsContact O-CG1 3.3Å; N822-V1074 WeakPolarHBondContact O-CG1 3.38Å |
| 823 | F | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 159.4 | 175.8 | 76.8 | -86.5 | 0 | 0 | 0 | 115 | R900 I985 D987 D988 F1028 P1073 V1074 | F823-R900 CarbonylContact C-O 3.59Å; F823-R900 WeakPolarHBondContact CA-O 3.22Å; F823-R900 HydrophobicContact CB-CB 4.42Å; F823-R900 VanDerWaalsContact CB-O 3.25Å; F823-R900 WeakPolarHBondContact CB-O 3.36Å; F823-I985 HydrophobicContact CE2-CG2 4.28Å; F823-I985 HydrophobicContact CZ-CG2 4.38Å; F823-D987 PolarHBondContact N-OD1 3.42Å; F823-D987 PolarHBondContact O-N 3.17Å; F823-D988 HydrophobicContact CZ-CB 4.4Å; F823-D988 WeakPolarHBondContact CZ-OD1 3.43Å; F823-F1028 HydrophobicContact CD1-CE2 4.18Å; F823-F1028 HydrophobicContact CD1-CZ 4.33Å; F823-F1028 HydrophobicContact CE1-CE1 4.23Å; F823-F1028 AromaticContact CE1-CE2 3.75Å; F823-F1028 HydrophobicContact CE1-CE2 3.75Å; F823-F1028 AromaticContact CE1-CZ 3.61Å; F823-F1028 HydrophobicContact CE1-CZ 3.61Å; F823-P1073 HydrophobicContact CD1-CG 3.8Å; F823-P1073 HydrophobicContact CE1-CG 3.75Å; F823-P1073 HydrophobicContact CG-CG 4.24Å; F823-P1073 HydrophobicContact CZ-CG 4.17Å; F823-V1074 HydrophobicContact CB-CG1 3.74Å; F823-V1074 HydrophobicContact CD1-CG1 4.19Å; F823-V1074 HydrophobicContact CG-CG1 4.36Å |
| 824 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 132.5 | 169.5 | -58.5 | 165.3 | 0 | 0 | 0 | 107.8 | I817 A820 I826 F899 R900 V901 F902 M984 V986 | I817-I824 HydrophobicContact CB-CD1 4.33Å; I817-I824 HydrophobicContact CG1-CD1 4.23Å; I817-I824 HydrophobicContact CG2-CD1 3.89Å; A820-I824 HydrophobicContact CB-CD1 3.99Å; A820-I824 HydrophobicContact CB-CG1 3.68Å; I824-I826 HydrophobicContact CG2-CD1 3.95Å; I824-I826 HydrophobicContact CG2-CG1 3.83Å; I824-F899 HydrophobicContact CD1-CE1 4.1Å; I824-F899 HydrophobicContact CD1-CZ 3.68Å; I824-F899 HydrophobicContact CG1-CE1 4.44Å; I824-F899 HydrophobicContact CG1-CZ 3.79Å; I824-R900 PolarHBondContact N-O 3.09Å; I824-V901 HydrophobicContact CB-CG1 4.34Å; I824-V901 HydrophobicContact CB-CG2 4.36Å; I824-V901 HydrophobicContact CD1-CG2 4.41Å; I824-V901 CarbonylContact O-C 3.58Å; I824-V901 VanDerWaalsContact O-CA 3.29Å; I824-V901 WeakPolarHBondContact O-CA 3.5Å; I824-F902 PolarHBondContact O-N 2.84Å; I824-M984 HydrophobicContact CG2-CG 4.02Å; I824-M984 HydrophobicContact CG2-SD 3.92Å; I824-V986 HydrophobicContact CG1-CG2 4.41Å |
| 825 | Y | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.2 | 172.9 | 176.6 | -84.4 | 0 | 0 | 0 | 109.1 | E827 F902 M904 M984 I985 L1046 M1047 F1050 W1083 | Y825-E827 HydrophobicContact CD1-CG 4.49Å; Y825-E827 HydrophobicContact CE1-CG 3.53Å; Y825-E827 PolarHBondContact OH-OE1 3.14Å; Y825-F902 CarbonylContact C-O 3.6Å; Y825-F902 HydrophobicContact CD2-CB 3.53Å; Y825-F902 HydrophobicContact CD2-CD2 4.35Å; Y825-F902 HydrophobicContact CD2-CG 4Å; Y825-F902 HydrophobicContact CE2-CB 4.19Å; Y825-F902 HydrophobicContact CG-CB 4.3Å; Y825-M904 HydrophobicContact CE2-CG 4.34Å; Y825-M984 CarbonylContact O-C 3.51Å; Y825-M984 WeakPolarHBondContact O-CA 3.17Å; Y825-M984 WeakPolarHBondContact O-CG 3.28Å; Y825-I985 HydrophobicContact CD1-CD1 4.18Å; Y825-I985 HydrophobicContact CD1-CG1 4.43Å; Y825-I985 PolarHBondContact N-O 2.86Å; Y825-I985 PolarHBondContact O-N 3.05Å; Y825-L1046 HydrophobicContact CE1-CD1 3.75Å; Y825-M1047 HydrophobicContact CD2-CE 3.78Å; Y825-M1047 HydrophobicContact CE2-CE 3.98Å; Y825-M1047 HydrophobicContact CE2-CG 4.48Å; Y825-F1050 WeakPolarHBondContact OH-CE2 3.31Å; Y825-W1083 HydrophobicContact CE2-CH2 4.25Å |
| 826 | I | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.3 | -176.6 | -61.1 | 174.9 | 0 | 0 | 0 | 109.1 | I824 N828 F831 I885 F902 I903 M904 V983 M984 I998 | I824-I826 HydrophobicContact CG2-CD1 3.95Å; I824-I826 HydrophobicContact CG2-CG1 3.83Å; I826-N828 HydrophobicContact CG2-CB 4.38Å; I826-F831 HydrophobicContact CD1-CE2 4.36Å; I826-I885 HydrophobicContact CD1-CD1 3.81Å; I826-F902 PolarHBondContact N-O 2.92Å; I826-I903 CarbonylContact O-C 3.59Å; I826-I903 WeakPolarHBondContact O-CA 3.16Å; I826-M904 PolarHBondContact O-N 2.83Å; I826-V983 WeakPolarHBondContact CA-O 3.38Å; I826-M984 HydrophobicContact CD1-SD 4.11Å; I826-M984 HydrophobicContact CG1-CB 4.11Å; I826-M984 HydrophobicContact CG1-CG 3.77Å; I826-M984 HydrophobicContact CG1-SD 4.02Å; I826-I998 HydrophobicContact CG2-CD1 3.77Å |
| 827 | E | 98.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.6 | 158.3 | -44.8 | -179.5 | 163 | 0 | 0 | 108.6 | H675 Y825 M904 I979 S981 K982 V983 F1050 | H675-E827 IonicContact CD2-OE2 3.42Å; H675-E827 IonicContact NE2-OE1 3.06Å; H675-E827 PolarHBondContact NE2-OE1 3.3Å; H675-E827 IonicContact NE2-OE2 3.12Å; H675-E827 PolarHBondContact NE2-OE2 2.94Å; H675-E827 VanDerWaalsContact NE2-OE2 3.09Å; Y825-E827 HydrophobicContact CD1-CG 4.49Å; Y825-E827 HydrophobicContact CE1-CG 3.53Å; Y825-E827 PolarHBondContact OH-OE1 3.14Å; E827-M904 WeakPolarHBondContact CA-O 3.22Å; E827-M904 HydrophobicContact CB-CB 4.15Å; E827-M904 HydrophobicContact CG-CB 3.91Å; E827-M904 HydrophobicContact CG-CG 4.21Å; E827-I979 HydrophobicContact CB-CG2 4.21Å; E827-S981 WeakPolarHBondContact OE2-CB 3.5Å; E827-S981 PolarHBondContact OE2-OG 3.22Å; E827-K982 WeakPolarHBondContact O-CA 3.3Å; E827-V983 HydrophobicContact CB-CG1 3.82Å; E827-V983 HydrophobicContact CG-CG1 3.72Å; E827-V983 PolarHBondContact N-O 3.19Å; E827-V983 PolarHBondContact O-N 3.33Å; E827-F1050 WeakPolarHBondContact OE1-CE2 2.81Å; E827-F1050 VanDerWaalsContact OE1-CZ 3.3Å; E827-F1050 WeakPolarHBondContact OE1-CZ 3.32Å |
| 828 | N | 97.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -148.5 | 148.3 | 173.8 | -145.6 | -77.6 | 0 | 0 | 0 | 112.1 | I826 Y830 M904 L905 P906 S981 A996 N997 I998 | I826-N828 HydrophobicContact CG2-CB 4.38Å; N828-Y830 VanDerWaalsContact C-N 3.31Å; N828-Y830 WeakPolarHBondContact CB-O 3.46Å; N828-Y830 VanDerWaalsContact CG-O 3.31Å; N828-Y830 PolarHBondContact OD1-N 3.43Å; N828-Y830 PolarHBondContact OD1-O 3Å; N828-M904 PolarHBondContact N-O 3.33Å; N828-M904 VanDerWaalsContact N-O 3.09Å; N828-L905 HydrophobicContact CB-CD2 4.46Å; N828-L905 WeakPolarHBondContact O-CD2 3.33Å; N828-P906 VanDerWaalsContact O-CD 3.26Å; N828-P906 WeakPolarHBondContact O-CD 3.48Å; N828-S981 VanDerWaalsContact CA-O 3.25Å; N828-S981 WeakPolarHBondContact CA-O 3.46Å; N828-A996 PolarHBondContact ND2-O 3.42Å; N828-N997 VanDerWaalsContact OD1-CA 3.29Å; N828-N997 WeakPolarHBondContact OD1-CA 3.43Å; N828-N997 PolarHBondContact OD1-OD1 3.34Å; N828-I998 HydrophobicContact CB-CD1 4.09Å; N828-I998 HydrophobicContact CB-CG1 4.43Å; N828-I998 PolarHBondContact OD1-N 3.37Å; N828-I998 VanDerWaalsContact OD1-N 3.14Å | ||
| 829 | Q | 95.4 | Very high | 88.1 | Confident | 17 Ų | 17 | 27 Ų | 27 | 8% | 0.079 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -66.9 | -35 | 172.8 | -175.3 | -173.9 | 10.3 | 0 | 0 | 111.7 | P906 Y978 H980 S981 N997 | Q829-P906 WeakPolarHBondContact O-CD 3.48Å; Q829-P906 WeakPolarHBondContact O-CG 3.29Å; Q829-Y978 HydrophobicContact CG-CE1 4.36Å; Q829-Y978 WeakPolarHBondContact CG-OH 3.46Å; Q829-Y978 PolarHBondContact NE2-OH 2.98Å; Q829-H980 PolarHBondContact NE2-CD2 2.82Å; Q829-H980 PolarHBondContact OE1-CD2 2.98Å; Q829-H980 PolarHBondContact OE1-NE2 3.5Å; Q829-S981 PolarHBondContact N-O 3.34Å; Q829-N997 WeakPolarHBondContact CB-OD1 2.97Å; Q829-N997 PolarHBondContact OE1-OD1 3.21Å |
| 830 | Y | 94.9 | Very high | 85.5 | Confident | 30 Ų | 30 | 31 Ų | 31 | 12% | 0.118 | 16% | 0.158 | C | C | . | . | trans | -136.6 | 144.2 | 178.4 | -52.7 | -56.6 | 0 | 0 | 0 | 110.4 | N828 T909 F911 I926 N997 I998 | N828-Y830 VanDerWaalsContact C-N 3.31Å; N828-Y830 WeakPolarHBondContact CB-O 3.46Å; N828-Y830 VanDerWaalsContact CG-O 3.31Å; N828-Y830 PolarHBondContact OD1-N 3.43Å; N828-Y830 PolarHBondContact OD1-O 3Å; Y830-T909 HydrophobicContact CD1-CG2 4.13Å; Y830-T909 HydrophobicContact CE1-CG2 3.62Å; Y830-F911 WeakPolarHBondContact OH-CE2 3.42Å; Y830-I926 HydrophobicContact CD1-CG2 3.62Å; Y830-I926 HydrophobicContact CE1-CD1 3.89Å; Y830-I926 HydrophobicContact CE1-CG2 3.9Å; Y830-N997 HydrophobicContact CD2-CB 3.87Å; Y830-N997 VanDerWaalsContact CD2-CG 3.46Å; Y830-I998 WeakPolarHBondContact O-CB 3.33Å; Y830-I998 PolarHBondContact O-N 2.82Å | ||
| 831 | F | 96.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -131.5 | 93.2 | 172.5 | -161.6 | -71.5 | 0 | 0 | 0 | 108.9 | I826 C882 I885 I903 L905 T930 L934 I998 | I826-F831 HydrophobicContact CD1-CE2 4.36Å; F831-C882 HydrophobicContact CE1-CB 4.07Å; F831-I885 HydrophobicContact CE2-CD1 4.28Å; F831-I885 HydrophobicContact CZ-CD1 3.91Å; F831-I903 HydrophobicContact CD2-CG2 4.05Å; F831-I903 HydrophobicContact CE2-CD1 4.18Å; F831-I903 HydrophobicContact CE2-CG2 4.32Å; F831-I903 HydrophobicContact CZ-CD1 4.37Å; F831-L905 HydrophobicContact CB-CD1 4.02Å; F831-L905 HydrophobicContact CB-CD2 3.73Å; F831-T930 WeakPolarHBondContact O-CA 3.34Å; F831-T930 PolarHBondContact O-OG1 2.79Å; F831-L934 HydrophobicContact CB-CD1 4.33Å; F831-L934 HydrophobicContact CD1-CD1 4.02Å; F831-L934 HydrophobicContact CD1-CD2 3.72Å; F831-L934 HydrophobicContact CD1-CG 3.87Å; F831-L934 HydrophobicContact CE1-CD2 3.56Å; F831-L934 HydrophobicContact CE1-CG 4.2Å; F831-L934 HydrophobicContact CG-CD1 4.26Å; F831-L934 HydrophobicContact CZ-CD2 4.22Å; F831-I998 HydrophobicContact CD1-CG2 4.46Å; F831-I998 HydrophobicContact CD2-CB 4.39Å; F831-I998 HydrophobicContact CD2-CD1 3.7Å; F831-I998 HydrophobicContact CD2-CG2 4.16Å; F831-I998 HydrophobicContact CE2-CD1 3.79Å; F831-I998 HydrophobicContact CE2-CG2 4.34Å; F831-I998 HydrophobicContact CG-CG2 4.22Å |
| 832 | I | 95.5 | Very high | 79.7 | Confident | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | trans | -129.4 | 102.9 | -178.7 | -60.2 | 172.4 | 0 | 0 | 0 | 107 | I835 V877 N879 I926 S933 I998 N999 W1169 T1170 | I832-I835 HydrophobicContact CG2-CD1 4.41Å; I832-V877 HydrophobicContact CG2-CG1 4.12Å; I832-V877 HydrophobicContact CG2-CG2 3.98Å; I832-N879 PolarHBondContact O-ND2 3.09Å; I832-I926 HydrophobicContact CD1-CG2 4.5Å; I832-S933 WeakPolarHBondContact CA-OG 3.46Å; I832-I998 PolarHBondContact N-O 3.16Å; I832-N999 HydrophobicContact CB-CB 4.09Å; I832-N999 WeakPolarHBondContact O-CA 3.43Å; I832-W1169 VanDerWaalsContact CD1-O 3.25Å; I832-W1169 WeakPolarHBondContact CD1-O 3.08Å; I832-T1170 HydrophobicContact CG2-CG2 4.47Å | ||
| 833 | S | 93.9 | Very high | 76.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -152.6 | 134.8 | -168 | -170.8 | 0 | 0 | 0 | 0 | 111.4 | N879 I881 C882 S933 | S833-N879 WeakPolarHBondContact CB-OD1 3.15Å; S833-N879 PolarHBondContact OG-O 3Å; S833-N879 PolarHBondContact OG-OD1 3.21Å; S833-I881 PolarHBondContact OG-N 2.72Å; S833-I881 VanDerWaalsContact OG-N 3.17Å; S833-C882 PolarHBondContact OG-N 3.13Å; S833-S933 PolarHBondContact N-OG 3.16Å; S833-S933 WeakPolarHBondContact O-CB 3.36Å; S833-S933 PolarHBondContact O-OG 3.23Å | ||
| 834 | Y | 82 | Confident | 73.6 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 6% | 0.059 | 24% | 0.237 | C | C | . | . | trans | 53.3 | 72.8 | 171.7 | -164.3 | -103.7 | 0 | 0 | 0 | 115 | S871 V877 N879 R880 E883 | Y834-S871 WeakPolarHBondContact CE2-OG 3.32Å; Y834-S871 WeakPolarHBondContact OH-CB 3.3Å; Y834-S871 PolarHBondContact OH-OG 3.42Å; Y834-V877 WeakPolarHBondContact CA-O 3.39Å; Y834-N879 PolarHBondContact N-O 3.45Å; Y834-R880 HydrophobicContact CD2-CG 4.2Å; Y834-R880 HydrophobicContact CE2-CG 4.49Å; Y834-E883 HydrophobicContact CD1-CB 3.97Å; Y834-E883 HydrophobicContact CD1-CG 4.5Å; Y834-E883 HydrophobicContact CD2-CB 3.95Å; Y834-E883 HydrophobicContact CE1-CB 4.11Å; Y834-E883 HydrophobicContact CE1-CG 4.13Å; Y834-E883 HydrophobicContact CE2-CB 4.05Å; Y834-E883 HydrophobicContact CE2-CG 4.16Å; Y834-E883 WeakPolarHBondContact CE2-OE2 3.44Å; Y834-E883 HydrophobicContact CG-CB 3.86Å; Y834-E883 VanDerWaalsContact CZ-OE1 3.24Å; Y834-E883 VanDerWaalsContact OH-CD 3.23Å; Y834-E883 PolarHBondContact OH-OE1 3.04Å | ||
| 835 | I | 78.7 | Confident | 70.3 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -113.9 | 120.3 | 175.2 | -55.9 | 174.4 | 0 | 0 | 0 | 107.5 | I832 G875 L876 V877 Y929 Q932 | I832-I835 HydrophobicContact CG2-CD1 4.41Å; I835-G875 CarbonylContact O-C 3.59Å; I835-L876 HydrophobicContact CB-CB 4.47Å; I835-L876 HydrophobicContact CG2-CB 4.32Å; I835-L876 HydrophobicContact CG2-CD2 4.31Å; I835-L876 PolarHBondContact O-N 3.4Å; I835-V877 HydrophobicContact CB-CB 3.97Å; I835-V877 HydrophobicContact CB-CG2 3.91Å; I835-V877 HydrophobicContact CD1-CB 4.34Å; I835-V877 HydrophobicContact CD1-CG2 3.66Å; I835-V877 HydrophobicContact CG1-CB 4.08Å; I835-V877 HydrophobicContact CG1-CG2 3.92Å; I835-V877 PolarHBondContact N-O 3.12Å; I835-V877 PolarHBondContact O-N 3.25Å; I835-V877 VanDerWaalsContact O-N 3.12Å; I835-Y929 HydrophobicContact CD1-CD1 3.94Å; I835-Q932 HydrophobicContact CD1-CB 3.64Å; I835-Q932 HydrophobicContact CG1-CB 4.18Å; I835-Q932 HydrophobicContact CG2-CB 4.49Å |
| 836 | L | 73.5 | Confident | 66.9 | Low | 44 Ų | 44 | 59.9 Ų | 59.9 | 23% | 0.23 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 139.5 | 175 | -73.4 | 172.8 | 0 | 0 | 0 | 110.4 | N872 H939 | L836-N872 HydrophobicContact CD2-CB 4.28Å; L836-H939 VanDerWaalsContact CD1-CD2 3.41Å; L836-H939 WeakPolarHBondContact CD1-CD2 3.34Å; L836-H939 VanDerWaalsContact CD1-CE1 3.46Å; L836-H939 WeakPolarHBondContact CD1-CE1 3.25Å; L836-H939 WeakPolarHBondContact CD1-NE2 3.5Å |
| 837 | G | 62.7 | Low | 63.6 | Low | 20 Ų | 20 | 67.1 Ų | 67.1 | 21% | 0.206 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 170.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 838 | S | 52.5 | Low | 60.4 | Low | 61 Ų | 61 | 75.4 Ų | 75.4 | 43% | 0.427 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 160.1 | 179.3 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | E840 D841 | S838-E840 PolarHBondContact O-N 3.12Å; S838-D841 PolarHBondContact N-OD2 2.69Å; S838-D841 VanDerWaalsContact N-OD2 3.12Å; S838-D841 WeakPolarHBondContact O-CB 3.19Å; S838-D841 PolarHBondContact O-N 3.41Å; S838-D841 VanDerWaalsContact O-N 3.1Å; S838-D841 PolarHBondContact OG-OD2 3.17Å |
| 839 | Q | 43.5 | Very low | 57 | Low | 156 Ų | 156 | 83 Ų | 83 | 73% | 0.729 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -60.6 | -24.5 | 175.2 | -71.1 | -168.1 | -10 | 0 | 0 | 112.8 | D841 Q842 | Q839-D841 VanDerWaalsContact C-N 3.28Å; Q839-D841 PolarHBondContact O-N 2.8Å; Q839-Q842 WeakPolarHBondContact O-CB 3.29Å; Q839-Q842 VanDerWaalsContact O-CG 3.24Å; Q839-Q842 WeakPolarHBondContact O-CG 3.4Å; Q839-Q842 PolarHBondContact O-N 3.21Å; Q839-Q842 VanDerWaalsContact O-N 3.12Å |
| 840 | E | 42.9 | Very low | 53.7 | Low | 174 Ų | 174 | 89.6 Ų | 89.6 | 81% | 0.813 | 47% | 0.465 | S | S | * | . | G | 310 helix | trans | -69.6 | -25.7 | 176.8 | -65.6 | -177.7 | 171.8 | 0 | 0 | 112.6 | S838 Q842 | S838-E840 PolarHBondContact O-N 3.12Å; E840-Q842 PolarHBondContact O-N 3.42Å |
| 841 | D | 39.2 | Very low | 50.6 | Low | 88 Ų | 88 | 96.3 Ų | 96.3 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -74.8 | -2.1 | 173.3 | -59.5 | -58 | 0 | 0 | 0 | 112.3 | S838 Q839 N874 | S838-D841 PolarHBondContact N-OD2 2.69Å; S838-D841 VanDerWaalsContact N-OD2 3.12Å; S838-D841 WeakPolarHBondContact O-CB 3.19Å; S838-D841 PolarHBondContact O-N 3.41Å; S838-D841 VanDerWaalsContact O-N 3.1Å; S838-D841 PolarHBondContact OG-OD2 3.17Å; Q839-D841 VanDerWaalsContact C-N 3.28Å; Q839-D841 PolarHBondContact O-N 2.8Å; D841-N874 HydrophobicContact CB-CB 4.41Å; D841-N874 PolarHBondContact O-ND2 3.3Å |
| 842 | Q | 34.3 | Very low | 47.3 | Very low | 104 Ų | 104 | 105 Ų | 105 | 49% | 0.486 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -78.7 | -12 | -178.3 | -62.5 | -179.2 | 3.3 | 0 | 0 | 114.3 | Q839 E840 | Q839-Q842 WeakPolarHBondContact O-CB 3.29Å; Q839-Q842 VanDerWaalsContact O-CG 3.24Å; Q839-Q842 WeakPolarHBondContact O-CG 3.4Å; Q839-Q842 PolarHBondContact O-N 3.21Å; Q839-Q842 VanDerWaalsContact O-N 3.12Å; E840-Q842 PolarHBondContact O-N 3.42Å |
| 843 | H | 34 | Very low | 43.9 | Very low | 169 Ų | 169 | 113 Ų | 113 | 78% | 0.782 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -99.5 | 14.6 | -174.6 | -78.1 | -60.9 | 0 | 0 | 0 | 115.8 | ||
| 844 | G | 32.5 | Very low | 41.1 | Very low | 47 Ų | 47 | 118 Ų | 118 | 49% | 0.485 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -113.9 | 65 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 845 | D | 29.1 | Very low | 38.5 | Very low | 139 Ų | 139 | 122.6 Ų | 122.6 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | trans | 172.9 | 83.2 | 150.7 | -89.1 | -20.2 | 0 | 0 | 0 | 109.1 | D847 | D845-D847 PolarHBondContact O-N 2.97Š| ||
| 846 | E | 27.7 | Very low | 36.4 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 83% | 0.832 | 69% | 0.69 | S | S | * | * | trans | -74.5 | 6.2 | 170.6 | -78.3 | -174.9 | 165 | 0 | 0 | 113.5 | L848 | E846-L848 PolarHBondContact O-N 2.99Š| ||
| 847 | D | 30.7 | Very low | 34.4 | Very low | 152 Ų | 152 | 135.7 Ų | 135.7 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 35.3 | -174 | -75.7 | -21 | 0 | 0 | 0 | 114.4 | D845 | D845-D847 PolarHBondContact O-N 2.97Š|
| 848 | L | 30.9 | Very low | 32.8 | Very low | 173 Ų | 173 | 145.1 Ų | 145.1 | 91% | 0.906 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.9 | 35.8 | 173.1 | -87.5 | 173 | 0 | 0 | 0 | 113.9 | E846 | E846-L848 PolarHBondContact O-N 2.99Š|
| 849 | E | 26.1 | Very low | 31.6 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | trans | -96.7 | 90.7 | 162.7 | -72.9 | -155.3 | 144.1 | 0 | 0 | 110.7 | ||||
| 850 | N | 25.7 | Very low | 31 | Very low | 155 Ų | 155 | 142.7 Ų | 142.7 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | -167.7 | 82.3 | 156.3 | -94.4 | -31.9 | 0 | 0 | 0 | 109 | ||||
| 851 | D | 30.5 | Very low | 30.5 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 91% | 0.914 | 75% | 0.748 | S | S | * | * | trans | -178.3 | 73.2 | 150.4 | -94.5 | -22.2 | 0 | 0 | 0 | 109.4 | ||||
| 852 | K | 27.4 | Very low | 30.1 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | -117.3 | 87.9 | 163.7 | -76.5 | -179 | -178.9 | 164.8 | 0 | 107.8 | ||||
| 853 | N | 25.3 | Very low | 29.8 | Very low | 168 Ų | 168 | 147 Ų | 147 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | trans | -167 | 89.4 | 160.9 | -92.1 | -26.7 | 0 | 0 | 0 | 111.7 | ||||
| 854 | S | 33.7 | Very low | 29.8 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -168.7 | 104.9 | 143.8 | 60.7 | 0 | 0 | 0 | 0 | 110 | I856 | S854-I856 PolarHBondContact O-N 3.32Š| ||
| 855 | A | 28.5 | Very low | 29.8 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | -77.3 | 112.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 856 | I | 33.6 | Very low | 29.9 | Very low | 140 Ų | 140 | 140 Ų | 140 | 72% | 0.718 | 73% | 0.73 | S | S | * | * | trans | -134.8 | 133.2 | 168.6 | -61.7 | 179.5 | 0 | 0 | 0 | 108.1 | S854 | S854-I856 PolarHBondContact O-N 3.32Š| ||
| 857 | E | 31.8 | Very low | 30.2 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 143.8 | -172 | -68.7 | 174.5 | 145.7 | 0 | 0 | 114.6 | ||
| 858 | R | 28.1 | Very low | 30.4 | Very low | 219 Ų | 219 | 135.8 Ų | 135.8 | 83% | 0.826 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 119.9 | -161.1 | -63.8 | 178.3 | -178.9 | -172.7 | -0.9 | 111.7 | ||
| 859 | S | 28.6 | Very low | 30.5 | Very low | 63 Ų | 63 | 134.6 Ų | 134.6 | 44% | 0.441 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -96.1 | 154.4 | 168.1 | 77.8 | 0 | 0 | 0 | 0 | 111.9 | H861 R862 | S859-H861 PolarHBondContact O-N 2.94Å; S859-H861 VanDerWaalsContact O-N 3.15Å; S859-R862 PolarHBondContact O-N 2.94Å |
| 860 | P | 31.4 | Very low | 30.9 | Very low | 102 Ų | 102 | 132 Ų | 132 | 66% | 0.662 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -61 | -27.3 | -172.9 | -21.3 | 31.6 | 0 | 0 | 0 | 114.3 | R862 Q863 | P860-R862 PolarHBondContact O-N 3.26Å; P860-R862 VanDerWaalsContact O-N 3.16Å; P860-Q863 PolarHBondContact O-N 3.46Å; P860-Q863 VanDerWaalsContact O-N 3.14Å |
| 861 | H | 31.5 | Very low | 31.8 | Very low | 171 Ų | 171 | 126.5 Ų | 126.5 | 79% | 0.792 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63.1 | -19.9 | 176.7 | -71.9 | -59.7 | 0 | 0 | 0 | 113.2 | S859 | S859-H861 PolarHBondContact O-N 2.94Å; S859-H861 VanDerWaalsContact O-N 3.15Å |
| 862 | R | 30.6 | Very low | 32.3 | Very low | 157 Ų | 157 | 120.8 Ų | 120.8 | 59% | 0.592 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -87.7 | -19.1 | 174.7 | -76.5 | -169.2 | -179.7 | -178.1 | 1.1 | 115 | S859 P860 A864 S865 D866 | S859-R862 PolarHBondContact O-N 2.94Å; P860-R862 PolarHBondContact O-N 3.26Å; P860-R862 VanDerWaalsContact O-N 3.16Å; R862-A864 VanDerWaalsContact C-N 3.26Å; R862-A864 PolarHBondContact O-N 3.2Å; R862-S865 WeakPolarHBondContact CA-OG 3.43Å; R862-S865 CarbonylContact O-C 3.53Å; R862-S865 WeakPolarHBondContact O-CA 3.49Å; R862-S865 PolarHBondContact O-N 3.38Å; R862-S865 PolarHBondContact O-OG 2.98Å; R862-D866 PolarHBondContact O-N 3.25Å |
| 863 | Q | 28.5 | Very low | 33.2 | Very low | 129 Ų | 129 | 116.8 Ų | 116.8 | 60% | 0.603 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.7 | -33.4 | 176.2 | -74 | 179.7 | -14.7 | 0 | 0 | 111.7 | P860 S865 D866 H867 | P860-Q863 PolarHBondContact O-N 3.46Å; P860-Q863 VanDerWaalsContact O-N 3.14Å; Q863-S865 VanDerWaalsContact C-N 3.31Å; Q863-S865 PolarHBondContact O-N 3.34Å; Q863-D866 PolarHBondContact O-N 3.34Å; Q863-H867 PolarHBondContact O-CD2 2.66Å; Q863-H867 VanDerWaalsContact O-CD2 3.27Å |
| 864 | A | 33.4 | Very low | 34.6 | Very low | 73 Ų | 73 | 110.7 Ų | 110.7 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.6 | -28 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | R862 | R862-A864 VanDerWaalsContact C-N 3.26Å; R862-A864 PolarHBondContact O-N 3.2Å |
| 865 | S | 32.6 | Very low | 35.9 | Very low | 47 Ų | 47 | 106 Ų | 106 | 33% | 0.329 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -87.5 | -17.1 | 176 | 67.2 | 0 | 0 | 0 | 0 | 114.6 | R862 Q863 H867 L868 | R862-S865 WeakPolarHBondContact CA-OG 3.43Å; R862-S865 CarbonylContact O-C 3.53Å; R862-S865 WeakPolarHBondContact O-CA 3.49Å; R862-S865 PolarHBondContact O-N 3.38Å; R862-S865 PolarHBondContact O-OG 2.98Å; Q863-S865 VanDerWaalsContact C-N 3.31Å; Q863-S865 PolarHBondContact O-N 3.34Å; S865-H867 PolarHBondContact O-N 2.76Å; S865-L868 WeakPolarHBondContact O-CA 3.46Å; S865-L868 WeakPolarHBondContact O-CB 3.29Å; S865-L868 PolarHBondContact O-N 2.89Å |
| 866 | D | 30.4 | Very low | 38.4 | Very low | 87 Ų | 87 | 103.4 Ų | 103.4 | 47% | 0.465 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.6 | -24.9 | 172.4 | -75.2 | -20.5 | 0 | 0 | 0 | 110.7 | R862 Q863 L868 | R862-D866 PolarHBondContact O-N 3.25Å; Q863-D866 PolarHBondContact O-N 3.34Å; D866-L868 PolarHBondContact O-N 2.8Å |
| 867 | H | 35.4 | Very low | 40.9 | Very low | 156 Ų | 156 | 96.9 Ų | 96.9 | 72% | 0.722 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -3.7 | 164.6 | -60.4 | -58.7 | 0 | 0 | 0 | 114 | Q863 S865 | Q863-H867 PolarHBondContact O-CD2 2.66Å; Q863-H867 VanDerWaalsContact O-CD2 3.27Å; S865-H867 PolarHBondContact O-N 2.76Å |
| 868 | L | 34 | Very low | 43.6 | Very low | 87 Ų | 87 | 93.1 Ų | 93.1 | 46% | 0.455 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 14 | 177.1 | -61 | 170.3 | 0 | 0 | 0 | 113.4 | S865 D866 L887 | S865-L868 WeakPolarHBondContact O-CA 3.46Å; S865-L868 WeakPolarHBondContact O-CB 3.29Å; S865-L868 PolarHBondContact O-N 2.89Å; D866-L868 PolarHBondContact O-N 2.8Å; L868-L887 HydrophobicContact CD2-CD1 3.76Å; L868-L887 HydrophobicContact CD2-CD2 4.42Å |
| 869 | Q | 32.9 | Very low | 46.7 | Very low | 147 Ų | 147 | 82.7 Ų | 82.7 | 69% | 0.687 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -51.2 | 132.4 | 168.1 | -72.4 | -156.1 | 1.7 | 0 | 0 | 108.7 | S871 | Q869-S871 VanDerWaalsContact C-N 3.33Å; Q869-S871 PolarHBondContact O-N 2.79Å |
| 870 | P | 35.9 | Very low | 49.7 | Very low | 107 Ų | 107 | 84.4 Ų | 84.4 | 70% | 0.695 | 44% | 0.442 | S | S | * | . | trans | -57.7 | 103.8 | 174.8 | 22.2 | -29.6 | 0 | 0 | 0 | 107.2 | N872 | P870-N872 PolarHBondContact O-N 3.48Š| ||
| 871 | S | 42.9 | Very low | 52.8 | Low | 40 Ų | 40 | 79.5 Ų | 79.5 | 28% | 0.28 | 41% | 0.41 | S | S | . | . | trans | -58.5 | 127.7 | 175.7 | 52.1 | 0 | 0 | 0 | 0 | 107.4 | Y834 Q869 | Y834-S871 WeakPolarHBondContact CE2-OG 3.32Å; Y834-S871 WeakPolarHBondContact OH-CB 3.3Å; Y834-S871 PolarHBondContact OH-OG 3.42Å; Q869-S871 VanDerWaalsContact C-N 3.33Å; Q869-S871 PolarHBondContact O-N 2.79Å | ||
| 872 | N | 41 | Very low | 55.8 | Low | 51 Ų | 51 | 71.5 Ų | 71.5 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | trans | 5 | 116.5 | 177.3 | -164.1 | -8.2 | 0 | 0 | 0 | 116.9 | L836 P870 N874 G875 | L836-N872 HydrophobicContact CD2-CB 4.28Å; P870-N872 PolarHBondContact O-N 3.48Å; N872-N874 PolarHBondContact O-N 3.13Å; N872-N874 WeakPolarHBondContact OD1-CB 3.45Å; N872-N874 VanDerWaalsContact OD1-CG 3.22Å; N872-N874 PolarHBondContact OD1-N 2.76Å; N872-N874 PolarHBondContact OD1-ND2 3.36Å; N872-G875 PolarHBondContact O-N 3.05Å; N872-G875 VanDerWaalsContact O-N 3.09Å | ||
| 873 | P | 47.5 | Very low | 58.8 | Low | 98 Ų | 98 | 64.3 Ų | 64.3 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -11.8 | 170.9 | 22.7 | -31.8 | 0 | 0 | 0 | 114.4 | G875 K878 | P873-G875 VanDerWaalsContact C-N 3.32Å; P873-K878 PolarHBondContact O-NZ 2.87Å |
| 874 | N | 54.2 | Low | 62.1 | Low | 41 Ų | 41 | 58.5 Ų | 58.5 | 22% | 0.219 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 12 | 179 | -51 | -17.4 | 0 | 0 | 0 | 113.5 | D841 N872 L876 | D841-N874 HydrophobicContact CB-CB 4.41Å; D841-N874 PolarHBondContact O-ND2 3.3Å; N872-N874 PolarHBondContact O-N 3.13Å; N872-N874 WeakPolarHBondContact OD1-CB 3.45Å; N872-N874 VanDerWaalsContact OD1-CG 3.22Å; N872-N874 PolarHBondContact OD1-N 2.76Å; N872-N874 PolarHBondContact OD1-ND2 3.36Å; N874-L876 PolarHBondContact O-N 3.11Å |
| 875 | G | 61.4 | Low | 65.2 | Low | 9 Ų | 9 | 55 Ų | 55 | 9% | 0.093 | 29% | 0.292 | C | S | . | . | trans | -55.6 | 134.3 | 169 | 0 | 0 | 0 | 0 | 0 | 112.7 | I835 N872 P873 V877 K878 | I835-G875 CarbonylContact O-C 3.59Å; N872-G875 PolarHBondContact O-N 3.05Å; N872-G875 VanDerWaalsContact O-N 3.09Å; P873-G875 VanDerWaalsContact C-N 3.32Å; G875-V877 VanDerWaalsContact C-N 3.34Å; G875-K878 VanDerWaalsContact O-CE 3.28Å; G875-K878 WeakPolarHBondContact O-CE 3.23Å | ||
| 876 | L | 80.2 | Confident | 68.2 | Low | 55 Ų | 55 | 53.7 Ų | 53.7 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -63.3 | -39.5 | 178.1 | -178.5 | 62.6 | 0 | 0 | 0 | 112 | I835 N874 Y929 E1166 | I835-L876 HydrophobicContact CB-CB 4.47Å; I835-L876 HydrophobicContact CG2-CB 4.32Å; I835-L876 HydrophobicContact CG2-CD2 4.31Å; I835-L876 PolarHBondContact O-N 3.4Å; N874-L876 PolarHBondContact O-N 3.11Å; L876-Y929 HydrophobicContact CD2-CE1 3.88Å; L876-E1166 HydrophobicContact CD1-CB 4.43Å; L876-E1166 WeakPolarHBondContact CD1-OE2 3.36Å |
| 877 | V | 87.4 | Confident | 71.4 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -123.8 | 121.8 | 176.7 | -176.5 | 0 | 0 | 0 | 0 | 109.6 | I832 Y834 I835 G875 N879 T1170 | I832-V877 HydrophobicContact CG2-CG1 4.12Å; I832-V877 HydrophobicContact CG2-CG2 3.98Å; Y834-V877 WeakPolarHBondContact CA-O 3.39Å; I835-V877 HydrophobicContact CB-CB 3.97Å; I835-V877 HydrophobicContact CB-CG2 3.91Å; I835-V877 HydrophobicContact CD1-CB 4.34Å; I835-V877 HydrophobicContact CD1-CG2 3.66Å; I835-V877 HydrophobicContact CG1-CB 4.08Å; I835-V877 HydrophobicContact CG1-CG2 3.92Å; I835-V877 PolarHBondContact N-O 3.12Å; I835-V877 PolarHBondContact O-N 3.25Å; I835-V877 VanDerWaalsContact O-N 3.12Å; G875-V877 VanDerWaalsContact C-N 3.34Å; V877-N879 VanDerWaalsContact CG1-ND2 3.3Å; V877-N879 WeakPolarHBondContact CG1-ND2 3.36Å; V877-T1170 HydrophobicContact CG2-CG2 3.45Å; V877-T1170 VanDerWaalsContact CG2-CG2 3.45Å |
| 878 | K | 88.2 | Confident | 74.4 | Confident | 114 Ų | 114 | 44.7 Ų | 44.7 | 50% | 0.496 | 24% | 0.236 | S | C | . | . | trans | -104.5 | -15.1 | -164 | -54.3 | -166.6 | -176.5 | -155.2 | 0 | 114.4 | P873 G875 R880 D1000 L1004 | P873-K878 PolarHBondContact O-NZ 2.87Å; G875-K878 VanDerWaalsContact O-CE 3.28Å; G875-K878 WeakPolarHBondContact O-CE 3.23Å; K878-R880 WeakPolarHBondContact O-CG 3.33Å; K878-R880 PolarHBondContact O-N 2.66Å; K878-D1000 PolarHBondContact N-OD1 2.84Å; K878-D1000 VanDerWaalsContact N-OD1 3.13Å; K878-D1000 PolarHBondContact N-OD2 2.76Å; K878-L1004 HydrophobicContact CB-CD1 4.25Å; K878-L1004 HydrophobicContact CB-CD2 4.33Å | ||
| 879 | N | 92.5 | Very high | 77.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -67.6 | 125.7 | 173.4 | 78.3 | 85.9 | 0 | 0 | 0 | 109 | L810 I832 S833 Y834 V877 I881 D1000 M1003 L1004 | L810-N879 HydrophobicContact CD1-CB 4.22Å; I832-N879 PolarHBondContact O-ND2 3.09Å; S833-N879 WeakPolarHBondContact CB-OD1 3.15Å; S833-N879 PolarHBondContact OG-O 3Å; S833-N879 PolarHBondContact OG-OD1 3.21Å; Y834-N879 PolarHBondContact N-O 3.45Å; V877-N879 VanDerWaalsContact CG1-ND2 3.3Å; V877-N879 WeakPolarHBondContact CG1-ND2 3.36Å; N879-I881 VanDerWaalsContact C-N 3.33Å; N879-I881 PolarHBondContact O-N 3.38Å; N879-D1000 VanDerWaalsContact CB-OD1 3.29Å; N879-D1000 WeakPolarHBondContact CB-OD1 3.15Å; N879-D1000 PolarHBondContact N-OD1 2.78Å; N879-D1000 PolarHBondContact ND2-N 2.71Å; N879-D1000 PolarHBondContact ND2-OD1 3.23Å; N879-M1003 HydrophobicContact CB-CB 3.91Å; N879-M1003 HydrophobicContact CB-CG 4.43Å; N879-L1004 HydrophobicContact CB-CD2 4.43Å | ||
| 880 | R | 91 | Very high | 80.5 | Confident | 98 Ų | 98 | 35.2 Ų | 35.2 | 37% | 0.37 | 19% | 0.19 | S | C | . | . | trans | -96.3 | 26.5 | -168.8 | -57.3 | 178.4 | 68.8 | -179 | 2.5 | 112.7 | I814 Y834 K878 E883 A884 | I814-R880 HydrophobicContact CD1-CB 4.28Å; I814-R880 WeakPolarHBondContact CD1-O 3.3Å; Y834-R880 HydrophobicContact CD2-CG 4.2Å; Y834-R880 HydrophobicContact CE2-CG 4.49Å; K878-R880 WeakPolarHBondContact O-CG 3.33Å; K878-R880 PolarHBondContact O-N 2.66Å; R880-E883 HydrophobicContact CB-CB 4.4Å; R880-E883 IonicContact CZ-OE2 3.46Å; R880-E883 IonicContact NE-OE2 3.54Å; R880-E883 PolarHBondContact NE-OE2 3.04Å; R880-E883 IonicContact NH2-OE1 3.39Å; R880-E883 PolarHBondContact NH2-OE1 3.33Å; R880-E883 IonicContact NH2-OE2 3.59Å; R880-E883 PolarHBondContact NH2-OE2 3.13Å; R880-E883 PolarHBondContact O-N 2.88Å; R880-A884 WeakPolarHBondContact O-CB 3.29Å; R880-A884 PolarHBondContact O-N 2.94Å | ||
| 881 | I | 96.7 | Very high | 83.4 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.9 | -47.4 | -175.4 | -69.3 | 174 | 0 | 0 | 0 | 110.4 | L810 Y813 I814 I817 S833 N879 E883 A884 I885 I998 M1003 | L810-I881 HydrophobicContact CD1-CD1 3.9Å; L810-I881 HydrophobicContact CD1-CG1 3.78Å; Y813-I881 HydrophobicContact CD1-CD1 4.12Å; Y813-I881 HydrophobicContact CG-CD1 4.09Å; I814-I881 HydrophobicContact CD1-CG1 3.97Å; I817-I881 HydrophobicContact CD1-CG2 3.85Å; S833-I881 PolarHBondContact OG-N 2.72Å; S833-I881 VanDerWaalsContact OG-N 3.17Å; N879-I881 VanDerWaalsContact C-N 3.33Å; N879-I881 PolarHBondContact O-N 3.38Å; I881-E883 VanDerWaalsContact C-N 3.3Å; I881-E883 PolarHBondContact O-N 2.9Å; I881-A884 PolarHBondContact O-N 3.48Å; I881-I885 HydrophobicContact CG2-CD1 4.24Å; I881-I885 WeakPolarHBondContact O-CG1 3.16Å; I881-I885 PolarHBondContact O-N 2.84Å; I881-I998 HydrophobicContact CB-CG2 4.33Å; I881-I998 HydrophobicContact CD1-CG1 4.19Å; I881-I998 HydrophobicContact CD1-CG2 4.08Å; I881-I998 HydrophobicContact CG2-CD1 4.47Å; I881-I998 HydrophobicContact CG2-CG2 4.24Å; I881-M1003 HydrophobicContact CD1-CE 3.79Å; I881-M1003 HydrophobicContact CD1-CG 4.1Å; I881-M1003 HydrophobicContact CD1-SD 3.93Å |
| 882 | C | 95.5 | Very high | 86 | Confident | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.7 | -41.1 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 112 | F831 S833 I885 Y886 S933 | F831-C882 HydrophobicContact CE1-CB 4.07Å; S833-C882 PolarHBondContact OG-N 3.13Å; C882-I885 PolarHBondContact O-N 2.84Å; C882-Y886 PolarHBondContact O-N 3.43Å; C882-S933 PolarHBondContact SG-O 2.6Å; C882-S933 VanDerWaalsContact SG-O 3.37Å |
| 883 | E | 93.9 | Very high | 88.6 | Confident | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.2 | -40.7 | 176.1 | -172 | -174.7 | -151.6 | 0 | 0 | 112.6 | Y834 R880 I881 I885 Y886 L887 | Y834-E883 HydrophobicContact CD1-CB 3.97Å; Y834-E883 HydrophobicContact CD1-CG 4.5Å; Y834-E883 HydrophobicContact CD2-CB 3.95Å; Y834-E883 HydrophobicContact CE1-CB 4.11Å; Y834-E883 HydrophobicContact CE1-CG 4.13Å; Y834-E883 HydrophobicContact CE2-CB 4.05Å; Y834-E883 HydrophobicContact CE2-CG 4.16Å; Y834-E883 WeakPolarHBondContact CE2-OE2 3.44Å; Y834-E883 HydrophobicContact CG-CB 3.86Å; Y834-E883 VanDerWaalsContact CZ-OE1 3.24Å; Y834-E883 VanDerWaalsContact OH-CD 3.23Å; Y834-E883 PolarHBondContact OH-OE1 3.04Å; R880-E883 HydrophobicContact CB-CB 4.4Å; R880-E883 IonicContact CZ-OE2 3.46Å; R880-E883 IonicContact NE-OE2 3.54Å; R880-E883 PolarHBondContact NE-OE2 3.04Å; R880-E883 IonicContact NH2-OE1 3.39Å; R880-E883 PolarHBondContact NH2-OE1 3.33Å; R880-E883 IonicContact NH2-OE2 3.59Å; R880-E883 PolarHBondContact NH2-OE2 3.13Å; R880-E883 PolarHBondContact O-N 2.88Å; I881-E883 VanDerWaalsContact C-N 3.3Å; I881-E883 PolarHBondContact O-N 2.9Å; E883-I885 VanDerWaalsContact C-N 3.29Å; E883-I885 PolarHBondContact O-N 3.41Å; E883-Y886 WeakPolarHBondContact O-CB 3.39Å; E883-Y886 PolarHBondContact O-N 3.05Å; E883-L887 HydrophobicContact CG-CD1 4.09Å; E883-L887 HydrophobicContact CG-CG 4.32Å; E883-L887 WeakPolarHBondContact O-CB 3.36Å; E883-L887 WeakPolarHBondContact O-CG 3.13Å; E883-L887 PolarHBondContact O-N 2.89Å |
| 884 | A | 96.8 | Very high | 90.9 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 5% | 0.05 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.6 | -40.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I814 I817 R880 I881 R888 | I814-A884 HydrophobicContact CD1-CB 3.85Å; I817-A884 HydrophobicContact CB-CB 4.22Å; I817-A884 HydrophobicContact CD1-CB 4.47Å; I817-A884 VanDerWaalsContact CG2-C 3.45Å; I817-A884 HydrophobicContact CG2-CB 3.65Å; I817-A884 WeakPolarHBondContact CG2-O 3.44Å; R880-A884 WeakPolarHBondContact O-CB 3.29Å; R880-A884 PolarHBondContact O-N 2.94Å; I881-A884 PolarHBondContact O-N 3.48Å; A884-R888 WeakPolarHBondContact O-CB 3.24Å; A884-R888 PolarHBondContact O-N 3.33Å |
| 885 | I | 98.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 174.7 | -66.8 | 168.7 | 0 | 0 | 0 | 110.4 | I817 I826 F831 I881 C882 E883 L887 R888 I889 V901 L941 | I817-I885 HydrophobicContact CD1-CG1 4.06Å; I817-I885 HydrophobicContact CG1-CG1 4.48Å; I817-I885 HydrophobicContact CG2-CG1 4.07Å; I826-I885 HydrophobicContact CD1-CD1 3.81Å; F831-I885 HydrophobicContact CE2-CD1 4.28Å; F831-I885 HydrophobicContact CZ-CD1 3.91Å; I881-I885 HydrophobicContact CG2-CD1 4.24Å; I881-I885 WeakPolarHBondContact O-CG1 3.16Å; I881-I885 PolarHBondContact O-N 2.84Å; C882-I885 PolarHBondContact O-N 2.84Å; E883-I885 VanDerWaalsContact C-N 3.29Å; E883-I885 PolarHBondContact O-N 3.41Å; I885-L887 PolarHBondContact O-N 3.13Å; I885-R888 PolarHBondContact O-N 3.47Å; I885-I889 HydrophobicContact CG2-CD1 3.73Å; I885-I889 HydrophobicContact CG2-CG1 4.41Å; I885-I889 WeakPolarHBondContact O-CG1 3.41Å; I885-I889 PolarHBondContact O-N 3.14Å; I885-V901 HydrophobicContact CG2-CG1 4.17Å; I885-V901 HydrophobicContact CG2-CG2 4.27Å; I885-L941 HydrophobicContact CG2-CD1 4.13Å; I885-L941 HydrophobicContact CG2-CD2 4.04Å |
| 886 | Y | 97.3 | Very high | 94.4 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 8% | 0.075 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.8 | -52.9 | 176.5 | 167.1 | -95.5 | 0 | 0 | 0 | 111.8 | C882 E883 R888 I889 L890 R944 L945 | C882-Y886 PolarHBondContact O-N 3.43Å; E883-Y886 WeakPolarHBondContact O-CB 3.39Å; E883-Y886 PolarHBondContact O-N 3.05Å; Y886-R888 VanDerWaalsContact C-N 3.27Å; Y886-R888 PolarHBondContact O-N 3.47Å; Y886-I889 PolarHBondContact O-N 3.2Å; Y886-L890 HydrophobicContact CE1-CD2 4.19Å; Y886-L890 WeakPolarHBondContact O-CB 3.06Å; Y886-L890 PolarHBondContact O-N 2.8Å; Y886-R944 HydrophobicContact CD2-CB 4.21Å; Y886-R944 HydrophobicContact CD2-CG 3.9Å; Y886-R944 VanDerWaalsContact CE1-NE 3.27Å; Y886-R944 HydrophobicContact CE2-CB 4.09Å; Y886-R944 HydrophobicContact CE2-CG 3.47Å; Y886-R944 VanDerWaalsContact CE2-CG 3.47Å; Y886-R944 VanDerWaalsContact CZ-NE 3.33Å; Y886-L945 HydrophobicContact CD2-CD2 3.6Å; Y886-L945 HydrophobicContact CD2-CG 4Å; Y886-L945 HydrophobicContact CE2-CD2 3.94Å; Y886-L945 HydrophobicContact CE2-CG 4.47Å |
| 887 | L | 96.8 | Very high | 95 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 24% | 0.241 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.9 | -37 | -179.5 | -70.6 | 174.2 | 0 | 0 | 0 | 111.3 | L868 E883 I885 L890 R891 | L868-L887 HydrophobicContact CD2-CD1 3.76Å; L868-L887 HydrophobicContact CD2-CD2 4.42Å; E883-L887 HydrophobicContact CG-CD1 4.09Å; E883-L887 HydrophobicContact CG-CG 4.32Å; E883-L887 WeakPolarHBondContact O-CB 3.36Å; E883-L887 WeakPolarHBondContact O-CG 3.13Å; E883-L887 PolarHBondContact O-N 2.89Å; I885-L887 PolarHBondContact O-N 3.13Å; L887-L890 PolarHBondContact O-N 2.84Å; L887-R891 WeakPolarHBondContact O-CB 3.42Å; L887-R891 PolarHBondContact O-N 2.97Å |
| 888 | R | 97.9 | Very high | 95.4 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.8 | -42 | 178.6 | -177.5 | 60.4 | -166 | 84.3 | 1.9 | 112.2 | I817 A820 E821 A884 I885 Y886 R891 A892 F899 | I817-R888 HydrophobicContact CG2-CB 4.25Å; I817-R888 WeakPolarHBondContact O-CG 3.43Å; A820-R888 HydrophobicContact CB-CG 4.49Å; A820-R888 PolarHBondContact O-NE 3.26Å; A820-R888 PolarHBondContact O-NH2 3.04Å; E821-R888 PolarHBondContact O-NH2 2.9Å; E821-R888 VanDerWaalsContact O-NH2 3.12Å; A884-R888 WeakPolarHBondContact O-CB 3.24Å; A884-R888 PolarHBondContact O-N 3.33Å; I885-R888 PolarHBondContact O-N 3.47Å; Y886-R888 VanDerWaalsContact C-N 3.27Å; Y886-R888 PolarHBondContact O-N 3.47Å; R888-R891 WeakPolarHBondContact O-CB 3.37Å; R888-R891 PolarHBondContact O-N 3.46Å; R888-A892 PolarHBondContact O-N 2.92Å; R888-F899 HydrophobicContact CG-CE1 3.95Å; R888-F899 HydrophobicContact CG-CE2 4.24Å; R888-F899 HydrophobicContact CG-CZ 3.58Å |
| 889 | I | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.7 | -46.6 | 174.1 | -69.2 | 166.3 | 0 | 0 | 0 | 110.2 | I885 Y886 R891 A892 Y893 F899 V901 L945 L949 Y955 V956 | I885-I889 HydrophobicContact CG2-CD1 3.73Å; I885-I889 HydrophobicContact CG2-CG1 4.41Å; I885-I889 WeakPolarHBondContact O-CG1 3.41Å; I885-I889 PolarHBondContact O-N 3.14Å; Y886-I889 PolarHBondContact O-N 3.2Å; I889-R891 VanDerWaalsContact C-N 3.26Å; I889-R891 PolarHBondContact O-N 3.23Å; I889-A892 WeakPolarHBondContact O-CA 3.44Å; I889-A892 WeakPolarHBondContact O-CB 3.28Å; I889-A892 PolarHBondContact O-N 2.82Å; I889-Y893 PolarHBondContact O-N 2.71Å; I889-F899 HydrophobicContact CG1-CD1 4.2Å; I889-F899 HydrophobicContact CG1-CE1 4.21Å; I889-V901 HydrophobicContact CD1-CG2 3.96Å; I889-V901 HydrophobicContact CG1-CG2 4Å; I889-L945 HydrophobicContact CB-CD2 4.12Å; I889-L945 HydrophobicContact CD1-CD1 3.84Å; I889-L945 HydrophobicContact CD1-CD2 4.47Å; I889-L945 HydrophobicContact CG2-CD1 4.48Å; I889-L945 HydrophobicContact CG2-CD2 3.71Å; I889-L949 HydrophobicContact CG2-CD1 3.72Å; I889-Y955 HydrophobicContact CG2-CD1 3.76Å; I889-Y955 HydrophobicContact CG2-CE1 4.47Å; I889-Y955 HydrophobicContact CG2-CG 3.79Å; I889-V956 HydrophobicContact CD1-CG2 3.41Å; I889-V956 VanDerWaalsContact CD1-CG2 3.41Å |
| 890 | L | 96.8 | Very high | 96.1 | Very high | 35 Ų | 35 | 41.9 Ų | 41.9 | 18% | 0.183 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.8 | -41.6 | 178.2 | 179.7 | 60.8 | 0 | 0 | 0 | 111.6 | Y886 L887 Y893 N894 V948 | Y886-L890 HydrophobicContact CE1-CD2 4.19Å; Y886-L890 WeakPolarHBondContact O-CB 3.06Å; Y886-L890 PolarHBondContact O-N 2.8Å; L887-L890 PolarHBondContact O-N 2.84Å; L890-Y893 PolarHBondContact O-N 2.93Å; L890-N894 WeakPolarHBondContact O-CB 3.45Å; L890-N894 PolarHBondContact O-N 3.45Å; L890-N894 PolarHBondContact O-ND2 3.3Å; L890-V948 HydrophobicContact CD1-CB 4.45Å; L890-V948 HydrophobicContact CD1-CG1 3.59Å |
| 891 | R | 97.5 | Very high | 96.5 | Very high | 127 Ų | 127 | 37.2 Ų | 37.2 | 48% | 0.479 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.3 | -45 | 172.8 | -179.6 | -178.3 | 175.9 | -170.5 | -1.3 | 112.1 | L887 R888 I889 N894 E895 | L887-R891 WeakPolarHBondContact O-CB 3.42Å; L887-R891 PolarHBondContact O-N 2.97Å; R888-R891 WeakPolarHBondContact O-CB 3.37Å; R888-R891 PolarHBondContact O-N 3.46Å; I889-R891 VanDerWaalsContact C-N 3.26Å; I889-R891 PolarHBondContact O-N 3.23Å; R891-N894 PolarHBondContact O-N 3.16Å; R891-E895 HydrophobicContact CG-CG 4.4Å; R891-E895 WeakPolarHBondContact CG-OE1 3.44Å; R891-E895 IonicContact CZ-OE1 3.57Å; R891-E895 IonicContact NE-OE1 2.7Å; R891-E895 PolarHBondContact NE-OE1 2.8Å; R891-E895 IonicContact NH2-OE1 3.87Å; R891-E895 PolarHBondContact NH2-OE1 3.5Å; R891-E895 WeakPolarHBondContact O-CB 3.42Å; R891-E895 VanDerWaalsContact O-CG 3.28Å; R891-E895 WeakPolarHBondContact O-CG 3.37Å; R891-E895 PolarHBondContact O-N 2.92Å |
| 892 | A | 96.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.7 | -45.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R888 I889 E895 G896 K897 F899 Y955 | R888-A892 PolarHBondContact O-N 2.92Å; I889-A892 WeakPolarHBondContact O-CA 3.44Å; I889-A892 WeakPolarHBondContact O-CB 3.28Å; I889-A892 PolarHBondContact O-N 2.82Å; A892-E895 CarbonylContact O-C 3.52Å; A892-E895 PolarHBondContact O-N 2.75Å; A892-G896 PolarHBondContact O-N 2.77Å; A892-K897 PolarHBondContact O-N 3.14Å; A892-F899 HydrophobicContact CB-CB 3.39Å; A892-F899 HydrophobicContact CB-CD1 4.32Å; A892-F899 HydrophobicContact CB-CG 3.87Å; A892-Y955 HydrophobicContact CB-CE1 4.48Å |
| 893 | Y | 96.7 | Very high | 96.7 | Very high | 89 Ų | 89 | 37.1 Ų | 37.1 | 35% | 0.349 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -60 | -48.7 | 177.4 | 175.6 | -110.9 | 0 | 0 | 0 | 112 | I889 L890 E895 G896 L949 | I889-Y893 PolarHBondContact O-N 2.71Å; L890-Y893 PolarHBondContact O-N 2.93Å; Y893-E895 PolarHBondContact O-N 2.74Å; Y893-G896 PolarHBondContact O-N 2.74Å; Y893-L949 HydrophobicContact CD1-CD2 3.37Å; Y893-L949 HydrophobicContact CD2-CD2 3.5Å; Y893-L949 HydrophobicContact CE1-CD2 3.82Å; Y893-L949 HydrophobicContact CE2-CD2 3.95Å; Y893-L949 HydrophobicContact CG-CD2 3.17Å |
| 894 | N | 96.2 | Very high | 97 | Very high | 113 Ų | 113 | 36.8 Ų | 36.8 | 60% | 0.604 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -64.2 | -30.5 | 178.6 | -69.1 | -15.5 | 0 | 0 | 0 | 112.7 | L890 R891 G896 | L890-N894 WeakPolarHBondContact O-CB 3.45Å; L890-N894 PolarHBondContact O-N 3.45Å; L890-N894 PolarHBondContact O-ND2 3.3Å; R891-N894 PolarHBondContact O-N 3.16Å; N894-G896 VanDerWaalsContact C-N 3.32Å |
| 895 | E | 95.5 | Very high | 97 | Very high | 77 Ų | 77 | 36.7 Ų | 36.7 | 36% | 0.36 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4 | 174.3 | -69.4 | 178.2 | -170.7 | 0 | 0 | 113.1 | R891 A892 Y893 K897 | R891-E895 HydrophobicContact CG-CG 4.4Å; R891-E895 WeakPolarHBondContact CG-OE1 3.44Å; R891-E895 IonicContact CZ-OE1 3.57Å; R891-E895 IonicContact NE-OE1 2.7Å; R891-E895 PolarHBondContact NE-OE1 2.8Å; R891-E895 IonicContact NH2-OE1 3.87Å; R891-E895 PolarHBondContact NH2-OE1 3.5Å; R891-E895 WeakPolarHBondContact O-CB 3.42Å; R891-E895 VanDerWaalsContact O-CG 3.28Å; R891-E895 WeakPolarHBondContact O-CG 3.37Å; R891-E895 PolarHBondContact O-N 2.92Å; A892-E895 CarbonylContact O-C 3.52Å; A892-E895 PolarHBondContact O-N 2.75Å; Y893-E895 PolarHBondContact O-N 2.74Å; E895-K897 HydrophobicContact CB-CD 4.2Å; E895-K897 HydrophobicContact CB-CG 4.02Å; E895-K897 PolarHBondContact O-N 3.04Å; E895-K897 VanDerWaalsContact OE2-CD 3.3Å; E895-K897 WeakPolarHBondContact OE2-CD 3.44Å; E895-K897 WeakPolarHBondContact OE2-CE 3.33Å; E895-K897 IonicContact OE2-NZ 3.24Å; E895-K897 PolarHBondContact OE2-NZ 3.1Å |
| 896 | G | 93.3 | Very high | 97 | Very high | 70 Ų | 70 | 37.1 Ų | 37.1 | 72% | 0.722 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63 | 24 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A892 Y893 N894 | A892-G896 PolarHBondContact O-N 2.77Å; Y893-G896 PolarHBondContact O-N 2.74Å; N894-G896 VanDerWaalsContact C-N 3.32Å |
| 897 | K | 92.9 | Very high | 96.9 | Very high | 104 Ų | 104 | 36.5 Ų | 36.5 | 45% | 0.452 | 19% | 0.188 | S | C | . | . | trans | -92.4 | 139.2 | -176.5 | -73.5 | -176 | -177.4 | 161.3 | 0 | 112 | A892 E895 F899 | A892-K897 PolarHBondContact O-N 3.14Å; E895-K897 HydrophobicContact CB-CD 4.2Å; E895-K897 HydrophobicContact CB-CG 4.02Å; E895-K897 PolarHBondContact O-N 3.04Å; E895-K897 VanDerWaalsContact OE2-CD 3.3Å; E895-K897 WeakPolarHBondContact OE2-CD 3.44Å; E895-K897 WeakPolarHBondContact OE2-CE 3.33Å; E895-K897 IonicContact OE2-NZ 3.24Å; E895-K897 PolarHBondContact OE2-NZ 3.1Å; K897-F899 PolarHBondContact O-N 2.87Å | ||
| 898 | L | 94.6 | Very high | 96.9 | Very high | 66 Ų | 66 | 35.5 Ų | 35.5 | 35% | 0.346 | 18% | 0.182 | S | C | . | . | trans | -64.8 | 120.4 | 169 | -169.7 | 69.9 | 0 | 0 | 0 | 109.6 | V1074 | L898-V1074 HydrophobicContact CD2-CB 3.94Å; L898-V1074 HydrophobicContact CD2-CG2 3.74Å; L898-V1074 WeakPolarHBondContact CD2-O 3.29Å; L898-V1074 HydrophobicContact CG-CB 4.25Å; L898-V1074 HydrophobicContact CG-CG2 4.45Å | ||
| 899 | F | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -146.3 | 132.1 | -179 | -170.4 | -97.6 | 0 | 0 | 0 | 111 | A820 E821 N822 I824 R888 I889 A892 K897 V901 Y955 | A820-F899 HydrophobicContact CB-CE2 3.82Å; A820-F899 HydrophobicContact CB-CZ 3.83Å; E821-F899 WeakPolarHBondContact O-CD2 3.21Å; N822-F899 VanDerWaalsContact C-CD2 3.41Å; N822-F899 VanDerWaalsContact O-CA 3.23Å; N822-F899 WeakPolarHBondContact O-CA 3.25Å; N822-F899 VanDerWaalsContact O-CD2 3.3Å; N822-F899 WeakPolarHBondContact O-CD2 3.31Å; I824-F899 HydrophobicContact CD1-CE1 4.1Å; I824-F899 HydrophobicContact CD1-CZ 3.68Å; I824-F899 HydrophobicContact CG1-CE1 4.44Å; I824-F899 HydrophobicContact CG1-CZ 3.79Å; R888-F899 HydrophobicContact CG-CE1 3.95Å; R888-F899 HydrophobicContact CG-CE2 4.24Å; R888-F899 HydrophobicContact CG-CZ 3.58Å; I889-F899 HydrophobicContact CG1-CD1 4.2Å; I889-F899 HydrophobicContact CG1-CE1 4.21Å; A892-F899 HydrophobicContact CB-CB 3.39Å; A892-F899 HydrophobicContact CB-CD1 4.32Å; A892-F899 HydrophobicContact CB-CG 3.87Å; K897-F899 PolarHBondContact O-N 2.87Å; F899-V901 HydrophobicContact CD1-CG2 4.12Å; F899-V901 HydrophobicContact CE1-CG2 3.58Å; F899-Y955 HydrophobicContact CB-CD1 4.49Å; F899-Y955 VanDerWaalsContact O-CD1 3.3Å; F899-Y955 WeakPolarHBondContact O-CD1 3.3Å | ||
| 900 | R | 98.4 | Very high | 96.1 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 5% | 0.045 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 146.9 | -179.4 | -52.4 | -58.3 | -173.7 | -172.7 | 13.1 | 112.4 | N822 F823 I824 F902 D954 Y955 V1074 S1076 F1079 H1080 | N822-R900 PolarHBondContact O-N 2.9Å; F823-R900 CarbonylContact C-O 3.59Å; F823-R900 WeakPolarHBondContact CA-O 3.22Å; F823-R900 HydrophobicContact CB-CB 4.42Å; F823-R900 VanDerWaalsContact CB-O 3.25Å; F823-R900 WeakPolarHBondContact CB-O 3.36Å; I824-R900 PolarHBondContact N-O 3.09Å; R900-F902 HydrophobicContact CB-CE2 3.94Å; R900-F902 HydrophobicContact CB-CZ 4.42Å; R900-D954 VanDerWaalsContact CD-O 3.23Å; R900-D954 WeakPolarHBondContact CD-O 3.4Å; R900-D954 PolarHBondContact NH1-O 2.73Å; R900-Y955 CarbonylContact C-O 3.48Å; R900-Y955 WeakPolarHBondContact CA-O 3.46Å; R900-V1074 HydrophobicContact CB-CG1 4.3Å; R900-V1074 HydrophobicContact CG-CB 3.94Å; R900-V1074 HydrophobicContact CG-CG1 4.01Å; R900-V1074 PolarHBondContact NE-O 3.49Å; R900-V1074 VanDerWaalsContact NE-O 3.09Å; R900-S1076 PolarHBondContact NH2-OG 2.96Å; R900-F1079 HydrophobicContact CB-CD2 3.96Å; R900-F1079 HydrophobicContact CB-CE2 3.89Å; R900-F1079 HydrophobicContact CG-CD2 3.81Å; R900-F1079 HydrophobicContact CG-CE2 4.13Å; R900-F1079 HydrophobicContact CG-CG 4.13Å; R900-H1080 PolarHBondContact NH2-NE2 2.88Å |
| 901 | V | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.8 | 175.3 | -177 | 0 | 0 | 0 | 0 | 108.7 | I824 I885 I889 F899 I903 Y955 V956 S957 | I824-V901 HydrophobicContact CB-CG1 4.34Å; I824-V901 HydrophobicContact CB-CG2 4.36Å; I824-V901 HydrophobicContact CD1-CG2 4.41Å; I824-V901 CarbonylContact O-C 3.58Å; I824-V901 VanDerWaalsContact O-CA 3.29Å; I824-V901 WeakPolarHBondContact O-CA 3.5Å; I885-V901 HydrophobicContact CG2-CG1 4.17Å; I885-V901 HydrophobicContact CG2-CG2 4.27Å; I889-V901 HydrophobicContact CD1-CG2 3.96Å; I889-V901 HydrophobicContact CG1-CG2 4Å; F899-V901 HydrophobicContact CD1-CG2 4.12Å; F899-V901 HydrophobicContact CE1-CG2 3.58Å; V901-I903 HydrophobicContact CG1-CD1 4.27Å; V901-I903 HydrophobicContact CG1-CG1 3.96Å; V901-Y955 PolarHBondContact N-O 2.82Å; V901-V956 HydrophobicContact CB-CG2 4.33Å; V901-V956 CarbonylContact O-C 3.5Å; V901-V956 WeakPolarHBondContact O-CA 3.24Å; V901-S957 PolarHBondContact O-N 3.17Å |
| 902 | F | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126 | 175.9 | -58.4 | -96.6 | 0 | 0 | 0 | 108.8 | I824 Y825 I826 R900 M1047 P1073 F1078 F1079 W1083 | I824-F902 PolarHBondContact O-N 2.84Å; Y825-F902 CarbonylContact C-O 3.6Å; Y825-F902 HydrophobicContact CD2-CB 3.53Å; Y825-F902 HydrophobicContact CD2-CD2 4.35Å; Y825-F902 HydrophobicContact CD2-CG 4Å; Y825-F902 HydrophobicContact CE2-CB 4.19Å; Y825-F902 HydrophobicContact CG-CB 4.3Å; I826-F902 PolarHBondContact N-O 2.92Å; R900-F902 HydrophobicContact CB-CE2 3.94Å; R900-F902 HydrophobicContact CB-CZ 4.42Å; F902-M1047 HydrophobicContact CD1-CE 4.18Å; F902-M1047 HydrophobicContact CD2-CE 4.31Å; F902-M1047 HydrophobicContact CE1-CE 4.02Å; F902-M1047 HydrophobicContact CE2-CE 4.17Å; F902-M1047 HydrophobicContact CG-CE 4.3Å; F902-M1047 HydrophobicContact CZ-CE 3.99Å; F902-P1073 HydrophobicContact CE2-CB 4.13Å; F902-P1073 HydrophobicContact CZ-CB 4.08Å; F902-P1073 VanDerWaalsContact CZ-O 3.31Å; F902-P1073 WeakPolarHBondContact CZ-O 3.3Å; F902-F1078 HydrophobicContact CE1-CE1 4.24Å; F902-F1078 HydrophobicContact CZ-CE1 4.22Å; F902-F1079 HydrophobicContact CD1-CD2 4.47Å; F902-F1079 HydrophobicContact CD1-CE2 4.29Å; F902-F1079 AromaticContact CE1-CD2 3.58Å; F902-F1079 HydrophobicContact CE1-CD2 3.58Å; F902-F1079 AromaticContact CE1-CE2 3.82Å; F902-F1079 HydrophobicContact CE1-CE2 3.82Å; F902-F1079 HydrophobicContact CE2-CD2 4.31Å; F902-F1079 HydrophobicContact CE2-CE2 4.48Å; F902-F1079 AromaticContact CZ-CD2 3.5Å; F902-F1079 HydrophobicContact CZ-CD2 3.5Å; F902-F1079 VanDerWaalsContact CZ-CD2 3.5Å; F902-F1079 AromaticContact CZ-CE2 3.95Å; F902-F1079 HydrophobicContact CZ-CE2 3.95Å; F902-W1083 HydrophobicContact CD1-CD2 4.18Å; F902-W1083 AromaticContact CD1-CE2 3.69Å; F902-W1083 HydrophobicContact CD1-CG 4.36Å; F902-W1083 HydrophobicContact CD1-CZ2 4.01Å; F902-W1083 AromaticContact CD1-NE1 3.63Å; F902-W1083 AromaticContact CE1-CD1 3.92Å; F902-W1083 HydrophobicContact CE1-CD2 4.09Å; F902-W1083 AromaticContact CE1-CG 3.99Å; F902-W1083 HydrophobicContact CE1-CG 3.99Å; F902-W1083 AromaticContact CE1-NE1 4Å |
| 903 | I | 98.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 113.7 | 177.3 | -50.6 | -178.7 | 0 | 0 | 0 | 108.6 | I826 F831 V901 L905 L934 L941 V956 S957 I958 C959 | I826-I903 CarbonylContact O-C 3.59Å; I826-I903 WeakPolarHBondContact O-CA 3.16Å; F831-I903 HydrophobicContact CD2-CG2 4.05Å; F831-I903 HydrophobicContact CE2-CD1 4.18Å; F831-I903 HydrophobicContact CE2-CG2 4.32Å; F831-I903 HydrophobicContact CZ-CD1 4.37Å; V901-I903 HydrophobicContact CG1-CD1 4.27Å; V901-I903 HydrophobicContact CG1-CG1 3.96Å; I903-L905 HydrophobicContact CG2-CD1 4.17Å; I903-L905 HydrophobicContact CG2-CD2 3.97Å; I903-L905 HydrophobicContact CG2-CG 3.86Å; I903-L934 HydrophobicContact CD1-CD2 4.38Å; I903-L941 HydrophobicContact CD1-CD2 4.34Å; I903-V956 HydrophobicContact CD1-CG1 4.25Å; I903-S957 PolarHBondContact N-O 2.98Å; I903-I958 HydrophobicContact CB-CG1 4.24Å; I903-I958 HydrophobicContact CB-CG2 4.31Å; I903-I958 HydrophobicContact CD1-CG1 4.43Å; I903-I958 HydrophobicContact CG2-CG2 4.49Å; I903-I958 CarbonylContact O-C 3.58Å; I903-I958 VanDerWaalsContact O-CA 3.29Å; I903-I958 WeakPolarHBondContact O-CA 3.29Å; I903-C959 PolarHBondContact O-N 2.8Å |
| 904 | M | 98.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 118.2 | 175.8 | -63.1 | -56.6 | -59.8 | 0 | 0 | 109.4 | Y825 I826 E827 N828 C959 L961 I979 F1050 W1083 L1140 | Y825-M904 HydrophobicContact CE2-CG 4.34Å; I826-M904 PolarHBondContact O-N 2.83Å; E827-M904 WeakPolarHBondContact CA-O 3.22Å; E827-M904 HydrophobicContact CB-CB 4.15Å; E827-M904 HydrophobicContact CG-CB 3.91Å; E827-M904 HydrophobicContact CG-CG 4.21Å; N828-M904 PolarHBondContact N-O 3.33Å; N828-M904 VanDerWaalsContact N-O 3.09Å; M904-C959 WeakPolarHBondContact CA-O 3.22Å; M904-C959 HydrophobicContact CE-CB 3.99Å; M904-C959 HydrophobicContact SD-CB 3.62Å; M904-L961 HydrophobicContact CE-CD2 3.76Å; M904-L961 HydrophobicContact CE-CG 3.98Å; M904-I979 HydrophobicContact CB-CD1 3.89Å; M904-I979 HydrophobicContact CE-CD1 3.89Å; M904-F1050 HydrophobicContact CE-CD2 3.94Å; M904-F1050 HydrophobicContact CE-CE2 3.95Å; M904-F1050 HydrophobicContact CG-CE2 4.16Å; M904-F1050 HydrophobicContact SD-CD2 4.47Å; M904-F1050 HydrophobicContact SD-CE2 4.47Å; M904-W1083 HydrophobicContact SD-CH2 3.98Å; M904-W1083 HydrophobicContact SD-CZ2 3.52Å; M904-W1083 VanDerWaalsContact SD-CZ2 3.52Å; M904-L1140 HydrophobicContact CE-CD1 3.67Å; M904-L1140 HydrophobicContact SD-CD1 4.05Å |
| 905 | L | 98.4 | Very high | 94.2 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | trans | -127.4 | 151.5 | 179.3 | -59.2 | 177.6 | 0 | 0 | 0 | 110.6 | N828 F831 I903 S907 T930 L934 I958 C959 S960 I979 F1143 | N828-L905 HydrophobicContact CB-CD2 4.46Å; N828-L905 WeakPolarHBondContact O-CD2 3.33Å; F831-L905 HydrophobicContact CB-CD1 4.02Å; F831-L905 HydrophobicContact CB-CD2 3.73Å; I903-L905 HydrophobicContact CG2-CD1 4.17Å; I903-L905 HydrophobicContact CG2-CD2 3.97Å; I903-L905 HydrophobicContact CG2-CG 3.86Å; L905-S907 PolarHBondContact O-N 3.23Å; L905-T930 HydrophobicContact CD1-CG2 4.2Å; L905-L934 HydrophobicContact CD1-CD1 3.7Å; L905-I958 HydrophobicContact CD1-CG2 4.16Å; L905-C959 PolarHBondContact N-O 3.44Å; L905-S960 WeakPolarHBondContact O-CA 3.37Å; L905-S960 WeakPolarHBondContact O-CB 3.18Å; L905-S960 PolarHBondContact O-OG 2.8Å; L905-I979 WeakPolarHBondContact O-CD1 3.35Å; L905-F1143 HydrophobicContact CB-CD2 3.99Å; L905-F1143 HydrophobicContact CB-CE2 4.12Å; L905-F1143 HydrophobicContact CD1-CD2 4.46Å; L905-F1143 HydrophobicContact CD1-CE2 4.38Å | ||
| 906 | P | 97.4 | Very high | 94 | Very high | 9 Ų | 9 | 29.9 Ų | 29.9 | 6% | 0.058 | 17% | 0.167 | C | C | . | . | trans | -65.3 | 133.9 | 167 | 30.4 | -34.5 | 0 | 0 | 0 | 109.2 | N828 Q829 L908 Y978 I979 | N828-P906 VanDerWaalsContact O-CD 3.26Å; N828-P906 WeakPolarHBondContact O-CD 3.48Å; Q829-P906 WeakPolarHBondContact O-CD 3.48Å; Q829-P906 WeakPolarHBondContact O-CG 3.29Å; P906-L908 PolarHBondContact O-N 2.89Å; P906-Y978 HydrophobicContact CB-CD2 3.55Å; P906-Y978 HydrophobicContact CB-CE2 3.46Å; P906-Y978 VanDerWaalsContact CB-CE2 3.46Å; P906-Y978 HydrophobicContact CG-CD2 4.36Å; P906-Y978 HydrophobicContact CG-CE2 3.79Å; P906-I979 HydrophobicContact CB-CB 4.39Å | ||
| 907 | S | 95.6 | Very high | 93.8 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -62 | -35.6 | -177.9 | -170.2 | 0 | 0 | 0 | 0 | 111.4 | L905 S960 P1102 | L905-S907 PolarHBondContact O-N 3.23Å; S907-S960 WeakPolarHBondContact CB-OG 3.39Å; S907-S960 PolarHBondContact N-OG 2.95Å; S907-P1102 WeakPolarHBondContact OG-CG 3.34Å |
| 908 | L | 95.4 | Very high | 93.4 | Very high | 25 Ų | 25 | 28.9 Ų | 28.9 | 13% | 0.131 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -138.2 | 154.3 | 168.8 | -62 | 174.2 | 0 | 0 | 0 | 109.3 | P906 V915 I923 L976 P1102 F1147 | P906-L908 PolarHBondContact O-N 2.89Å; L908-V915 HydrophobicContact CD1-CB 4.02Å; L908-V915 HydrophobicContact CD1-CG1 3.69Å; L908-V915 HydrophobicContact CD1-CG2 4.42Å; L908-V915 HydrophobicContact CD2-CB 4.35Å; L908-V915 HydrophobicContact CD2-CG2 3.86Å; L908-I923 HydrophobicContact CB-CG2 4.29Å; L908-I923 HydrophobicContact CD2-CG2 3.92Å; L908-L976 HydrophobicContact CB-CD1 4.01Å; L908-L976 HydrophobicContact CD1-CD1 4.1Å; L908-L976 HydrophobicContact CG-CD1 4.1Å; L908-P1102 HydrophobicContact CD2-CG 4.36Å; L908-P1102 HydrophobicContact CG-CG 4.21Å; L908-F1147 HydrophobicContact CD2-CE1 4.14Å |
| 909 | T | 91.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 28.9 Ų | 28.9 | 7% | 0.067 | 17% | 0.166 | C | C | . | . | trans | -77.4 | 146.4 | 177.6 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | Y830 F911 I926 | Y830-T909 HydrophobicContact CD1-CG2 4.13Å; Y830-T909 HydrophobicContact CE1-CG2 3.62Å; T909-F911 PolarHBondContact O-N 3.45Å; T909-I926 HydrophobicContact CG2-CB 4.01Å; T909-I926 HydrophobicContact CG2-CD1 3.98Å; T909-I926 HydrophobicContact CG2-CG2 3.6Å | ||
| 910 | A | 89 | Confident | 92.7 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -77.8 | 52.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | W648 M672 W674 Y978 | W648-A910 HydrophobicContact CB-CB 4.17Å; M672-A910 HydrophobicContact CE-CB 3.52Å; M672-A910 HydrophobicContact SD-CB 4.06Å; W674-A910 HydrophobicContact CZ2-CB 4.3Å; A910-Y978 HydrophobicContact CB-CD1 3.75Å; A910-Y978 HydrophobicContact CB-CD2 3.85Å; A910-Y978 HydrophobicContact CB-CE1 3.5Å; A910-Y978 VanDerWaalsContact CB-CE1 3.5Å; A910-Y978 HydrophobicContact CB-CE2 3.68Å; A910-Y978 HydrophobicContact CB-CG 3.9Å; A910-Y978 VanDerWaalsContact CB-CZ 3.47Å; A910-Y978 VanDerWaalsContact N-CE2 3.29Å |
| 911 | F | 86.4 | Confident | 92.2 | Very high | 54 Ų | 54 | 28.9 Ų | 28.9 | 24% | 0.237 | 17% | 0.167 | C | C | . | . | trans | -103.6 | 146.7 | 172.7 | -75.7 | -78.8 | 0 | 0 | 0 | 110.5 | Y830 T909 G913 Y922 I923 I926 | Y830-F911 WeakPolarHBondContact OH-CE2 3.42Å; T909-F911 PolarHBondContact O-N 3.45Å; F911-G913 PolarHBondContact O-N 3.25Å; F911-Y922 HydrophobicContact CD1-CG 4.47Å; F911-I923 HydrophobicContact CB-CG1 4.16Å; F911-I926 HydrophobicContact CD2-CD1 3.76Å; F911-I926 HydrophobicContact CE2-CD1 3.26Å; F911-I926 HydrophobicContact CZ-CD1 4.19Å | ||
| 912 | K | 86.4 | Confident | 91.7 | Very high | 131 Ų | 131 | 32 Ų | 32 | 57% | 0.57 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -59.1 | 127.2 | 172.8 | -177.7 | -178.4 | 179.1 | -171.4 | 0 | 110.1 | S649 L650 | S649-K912 WeakPolarHBondContact O-CA 3.44Å; L650-K912 WeakPolarHBondContact O-CE 3.37Å |
| 913 | G | 88.5 | Confident | 91.4 | Very high | 16 Ų | 16 | 32.3 Ų | 32.3 | 17% | 0.165 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 142 | 159 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S649 F911 S919 I923 | S649-G913 PolarHBondContact O-N 3.34Å; F911-G913 PolarHBondContact O-N 3.25Å; G913-S919 VanDerWaalsContact CA-O 3.3Å; G913-S919 WeakPolarHBondContact CA-O 3.4Å; G913-I923 WeakPolarHBondContact O-CD1 3.5Å |
| 914 | E | 91.1 | Very high | 91.1 | Very high | 93 Ų | 93 | 32.9 Ų | 32.9 | 44% | 0.435 | 18% | 0.183 | S | C | . | . | trans | -100.6 | 118.9 | 178.9 | -175.8 | 174 | -162.6 | 0 | 0 | 110.4 | T917 S919 G920 R1116 | E914-T917 HydrophobicContact CB-CG2 4.14Å; E914-T917 HydrophobicContact CG-CG2 3.9Å; E914-T917 PolarHBondContact O-N 2.87Å; E914-T917 PolarHBondContact O-OG1 2.9Å; E914-S919 PolarHBondContact N-OG 2.99Å; E914-G920 WeakPolarHBondContact O-CA 2.85Å; E914-G920 PolarHBondContact O-N 3.01Å; E914-R1116 VanDerWaalsContact CD-NH1 3.27Å; E914-R1116 WeakPolarHBondContact OE1-CD 3.32Å; E914-R1116 IonicContact OE1-CZ 3.15Å; E914-R1116 IonicContact OE1-NE 3.97Å; E914-R1116 PolarHBondContact OE1-NE 3.33Å; E914-R1116 IonicContact OE1-NH1 3.09Å; E914-R1116 PolarHBondContact OE1-NH1 3.19Å | ||
| 915 | V | 92.1 | Very high | 90.7 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 142.8 | 178 | 73.3 | 0 | 0 | 0 | 0 | 111.1 | L908 T917 I923 I1101 R1116 F1147 L1148 | L908-V915 HydrophobicContact CD1-CB 4.02Å; L908-V915 HydrophobicContact CD1-CG1 3.69Å; L908-V915 HydrophobicContact CD1-CG2 4.42Å; L908-V915 HydrophobicContact CD2-CB 4.35Å; L908-V915 HydrophobicContact CD2-CG2 3.86Å; V915-T917 PolarHBondContact O-N 2.86Å; V915-I923 HydrophobicContact CB-CG2 4.38Å; V915-I923 HydrophobicContact CG2-CG2 4.07Å; V915-I1101 HydrophobicContact CG1-CG2 3.51Å; V915-R1116 PolarHBondContact O-NH1 3.42Å; V915-R1116 PolarHBondContact O-NH2 2.97Å; V915-F1147 HydrophobicContact CG1-CZ 4.27Å; V915-F1147 HydrophobicContact CG2-CE1 3.8Å; V915-F1147 HydrophobicContact CG2-CZ 3.91Å; V915-L1148 HydrophobicContact CG2-CD1 4.17Å |
| 916 | G | 90.1 | Very high | 90.4 | Very high | 6 Ų | 6 | 33.3 Ų | 33.3 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 13.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | H924 F1109 | G916-H924 PolarHBondContact N-NE2 3.42Å; G916-F1109 VanDerWaalsContact CA-CD1 3.45Å |
| 917 | T | 89.7 | Confident | 90.2 | Very high | 36 Ų | 36 | 33.5 Ų | 33.5 | 22% | 0.221 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -129.8 | 167 | 173.2 | 77.3 | 0 | 0 | 0 | 0 | 110.1 | E914 V915 S919 G920 H924 | E914-T917 HydrophobicContact CB-CG2 4.14Å; E914-T917 HydrophobicContact CG-CG2 3.9Å; E914-T917 PolarHBondContact O-N 2.87Å; E914-T917 PolarHBondContact O-OG1 2.9Å; V915-T917 PolarHBondContact O-N 2.86Å; T917-S919 PolarHBondContact O-N 2.74Å; T917-S919 VanDerWaalsContact O-N 3.09Å; T917-S919 PolarHBondContact OG1-N 3.47Å; T917-S919 PolarHBondContact OG1-OG 3.09Å; T917-G920 PolarHBondContact O-N 3.38Å; T917-G920 VanDerWaalsContact O-N 3.12Å; T917-H924 PolarHBondContact O-CE1 2.77Å |
| 918 | S | 85.5 | Confident | 90.1 | Very high | 116 Ų | 116 | 34.9 Ų | 34.9 | 81% | 0.811 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -62.4 | -14.5 | 174.9 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | T921 | S918-T921 PolarHBondContact O-OG1 2.72Š|
| 919 | S | 87.3 | Confident | 90 | Very high | 66 Ų | 66 | 34.2 Ų | 34.2 | 46% | 0.462 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -81.3 | -16.5 | 176.4 | 72.8 | 0 | 0 | 0 | 0 | 113.8 | G913 E914 T917 | G913-S919 VanDerWaalsContact CA-O 3.3Å; G913-S919 WeakPolarHBondContact CA-O 3.4Å; E914-S919 PolarHBondContact N-OG 2.99Å; T917-S919 PolarHBondContact O-N 2.74Å; T917-S919 VanDerWaalsContact O-N 3.09Å; T917-S919 PolarHBondContact OG1-N 3.47Å; T917-S919 PolarHBondContact OG1-OG 3.09Å |
| 920 | G | 88.5 | Confident | 90.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -93.6 | 20.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E914 T917 Y922 I923 H924 | E914-G920 WeakPolarHBondContact O-CA 2.85Å; E914-G920 PolarHBondContact O-N 3.01Å; T917-G920 PolarHBondContact O-N 3.38Å; T917-G920 VanDerWaalsContact O-N 3.12Å; G920-Y922 VanDerWaalsContact C-N 3.35Å; G920-Y922 PolarHBondContact O-N 3.44Å; G920-I923 WeakPolarHBondContact O-CA 3.45Å; G920-I923 WeakPolarHBondContact O-CB 3.35Å; G920-I923 PolarHBondContact O-N 2.83Å; G920-H924 PolarHBondContact O-N 3.05Å; G920-H924 PolarHBondContact O-ND1 3.31Å |
| 921 | T | 88.8 | Confident | 90.4 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.2 | -38.1 | -167.5 | -47.5 | 0 | 0 | 0 | 0 | 114.3 | S918 I923 H924 A925 C1155 E1161 | S918-T921 PolarHBondContact O-OG1 2.72Å; T921-I923 VanDerWaalsContact C-N 3.33Å; T921-I923 PolarHBondContact O-N 2.86Å; T921-H924 PolarHBondContact O-N 3.2Å; T921-A925 WeakPolarHBondContact O-CB 3.28Å; T921-A925 PolarHBondContact O-N 3.48Å; T921-C1155 HydrophobicContact CG2-CB 4.29Å; T921-E1161 HydrophobicContact CG2-CB 3.71Å; T921-E1161 HydrophobicContact CG2-CG 3.69Å |
| 922 | Y | 87.7 | Confident | 90.7 | Very high | 67 Ų | 67 | 34.7 Ų | 34.7 | 26% | 0.263 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64 | -38.2 | 174.5 | -75.8 | -92.4 | 0 | 0 | 0 | 112.4 | F911 G920 I926 E1161 I1164 W1169 | F911-Y922 HydrophobicContact CD1-CG 4.47Å; G920-Y922 VanDerWaalsContact C-N 3.35Å; G920-Y922 PolarHBondContact O-N 3.44Å; Y922-I926 WeakPolarHBondContact O-CG1 3.3Å; Y922-I926 PolarHBondContact O-N 2.77Å; Y922-E1161 HydrophobicContact CD2-CG 4.05Å; Y922-E1161 HydrophobicContact CE1-CG 4.48Å; Y922-E1161 HydrophobicContact CE2-CG 3.67Å; Y922-E1161 WeakPolarHBondContact CE2-OE1 3.43Å; Y922-I1164 HydrophobicContact CE1-CD1 4.37Å; Y922-W1169 AromaticContact CD1-CH2 3.39Å; Y922-W1169 HydrophobicContact CD1-CH2 3.39Å; Y922-W1169 AromaticContact CD1-CZ3 3.58Å; Y922-W1169 HydrophobicContact CD1-CZ3 3.58Å; Y922-W1169 AromaticContact CE1-CH2 3.59Å; Y922-W1169 HydrophobicContact CE1-CH2 3.59Å; Y922-W1169 HydrophobicContact CE1-CZ3 4.12Å; Y922-W1169 HydrophobicContact CG-CH2 4.12Å; Y922-W1169 HydrophobicContact CG-CZ3 4.37Å |
| 923 | I | 91.9 | Very high | 91.1 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.5 | -46.1 | 177.3 | -56 | 173 | 0 | 0 | 0 | 109 | L908 F911 G913 V915 G920 T921 I926 L927 | L908-I923 HydrophobicContact CB-CG2 4.29Å; L908-I923 HydrophobicContact CD2-CG2 3.92Å; F911-I923 HydrophobicContact CB-CG1 4.16Å; G913-I923 WeakPolarHBondContact O-CD1 3.5Å; V915-I923 HydrophobicContact CB-CG2 4.38Å; V915-I923 HydrophobicContact CG2-CG2 4.07Å; G920-I923 WeakPolarHBondContact O-CA 3.45Å; G920-I923 WeakPolarHBondContact O-CB 3.35Å; G920-I923 PolarHBondContact O-N 2.83Å; T921-I923 VanDerWaalsContact C-N 3.33Å; T921-I923 PolarHBondContact O-N 2.86Å; I923-I926 PolarHBondContact O-N 2.79Å; I923-L927 VanDerWaalsContact O-CB 3.23Å; I923-L927 WeakPolarHBondContact O-CB 3.44Å; I923-L927 PolarHBondContact O-N 2.93Å |
| 924 | H | 93.5 | Very high | 91.5 | Very high | 11 Ų | 11 | 27.7 Ų | 27.7 | 5% | 0.051 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61 | -47.1 | 177.3 | -60.6 | 146 | 0 | 0 | 0 | 112.7 | G916 T917 G920 T921 I926 L927 H928 F1109 L1153 | G916-H924 PolarHBondContact N-NE2 3.42Å; T917-H924 PolarHBondContact O-CE1 2.77Å; G920-H924 PolarHBondContact O-N 3.05Å; G920-H924 PolarHBondContact O-ND1 3.31Å; T921-H924 PolarHBondContact O-N 3.2Å; H924-I926 VanDerWaalsContact C-N 3.33Å; H924-I926 PolarHBondContact O-N 3.29Å; H924-L927 PolarHBondContact O-N 2.91Å; H924-H928 WeakPolarHBondContact O-CB 3.25Å; H924-H928 PolarHBondContact O-N 3.01Å; H924-F1109 AromaticContact CD2-CE1 3.97Å; H924-F1109 AromaticContact CE1-CE1 3.72Å; H924-F1109 AromaticContact CE1-CZ 3.62Å; H924-F1109 AromaticContact NE2-CE1 3.29Å; H924-F1109 VanDerWaalsContact NE2-CE1 3.29Å; H924-F1109 WeakPolarHBondContact NE2-CE1 3.26Å; H924-F1109 AromaticContact NE2-CZ 3.64Å; H924-L1153 HydrophobicContact CB-CB 4.31Å; H924-L1153 HydrophobicContact CB-CD2 4.29Å |
| 925 | A | 90 | Very high | 91.7 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.4 | -42.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | T921 H928 Y929 W1169 | T921-A925 WeakPolarHBondContact O-CB 3.28Å; T921-A925 PolarHBondContact O-N 3.48Å; A925-H928 WeakPolarHBondContact O-CB 3.36Å; A925-H928 PolarHBondContact O-N 2.95Å; A925-Y929 WeakPolarHBondContact O-CD2 3.5Å; A925-Y929 PolarHBondContact O-N 3.42Å; A925-W1169 HydrophobicContact CB-CD2 3.98Å; A925-W1169 HydrophobicContact CB-CE3 3.72Å; A925-W1169 HydrophobicContact CB-CH2 3.91Å; A925-W1169 HydrophobicContact CB-CZ2 4.18Å; A925-W1169 HydrophobicContact CB-CZ3 3.67Å |
| 926 | I | 91.6 | Very high | 91.6 | Very high | 11 Ų | 11 | 27.2 Ų | 27.2 | 6% | 0.056 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.7 | -42.8 | 178 | -63.6 | 164.3 | 0 | 0 | 0 | 110.7 | Y830 I832 T909 F911 Y922 I923 H924 H928 Y929 T930 W1169 | Y830-I926 HydrophobicContact CD1-CG2 3.62Å; Y830-I926 HydrophobicContact CE1-CD1 3.89Å; Y830-I926 HydrophobicContact CE1-CG2 3.9Å; I832-I926 HydrophobicContact CD1-CG2 4.5Å; T909-I926 HydrophobicContact CG2-CB 4.01Å; T909-I926 HydrophobicContact CG2-CD1 3.98Å; T909-I926 HydrophobicContact CG2-CG2 3.6Å; F911-I926 HydrophobicContact CD2-CD1 3.76Å; F911-I926 HydrophobicContact CE2-CD1 3.26Å; F911-I926 HydrophobicContact CZ-CD1 4.19Å; Y922-I926 WeakPolarHBondContact O-CG1 3.3Å; Y922-I926 PolarHBondContact O-N 2.77Å; I923-I926 PolarHBondContact O-N 2.79Å; H924-I926 VanDerWaalsContact C-N 3.33Å; H924-I926 PolarHBondContact O-N 3.29Å; I926-H928 PolarHBondContact O-N 3.18Å; I926-Y929 PolarHBondContact O-N 2.78Å; I926-T930 PolarHBondContact O-N 3.28Å; I926-T930 PolarHBondContact O-OG1 3.43Å; I926-W1169 HydrophobicContact CG1-CE3 4.32Å |
| 927 | L | 94.4 | Very high | 91.4 | Very high | 14 Ų | 14 | 29.1 Ų | 29.1 | 7% | 0.073 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.1 | -37.8 | 175.8 | -178.3 | 60.9 | 0 | 0 | 0 | 111.4 | I923 H924 T930 R931 F1143 F1147 L1148 L1153 | I923-L927 VanDerWaalsContact O-CB 3.23Å; I923-L927 WeakPolarHBondContact O-CB 3.44Å; I923-L927 PolarHBondContact O-N 2.93Å; H924-L927 PolarHBondContact O-N 2.91Å; L927-T930 PolarHBondContact O-N 2.91Å; L927-R931 HydrophobicContact CD1-CG 4.13Å; L927-R931 HydrophobicContact CG-CG 4.33Å; L927-R931 VanDerWaalsContact O-CB 3.32Å; L927-R931 WeakPolarHBondContact O-CB 3.34Å; L927-R931 WeakPolarHBondContact O-CG 3.21Å; L927-R931 PolarHBondContact O-N 2.89Å; L927-F1143 HydrophobicContact CD1-CZ 4.11Å; L927-F1147 HydrophobicContact CD2-CD1 3.84Å; L927-F1147 HydrophobicContact CD2-CE1 3.98Å; L927-L1148 HydrophobicContact CD2-CD1 4.25Å; L927-L1153 HydrophobicContact CB-CD1 4.11Å; L927-L1153 HydrophobicContact CD2-CD1 3.7Å; L927-L1153 HydrophobicContact CG-CD1 3.72Å |
| 928 | H | 93.1 | Very high | 91 | Very high | 35 Ų | 35 | 34 Ų | 34 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -54.4 | -54.2 | 174.5 | 177.1 | 71.4 | 0 | 0 | 0 | 111.9 | H924 A925 I926 R931 Q932 L1153 | H924-H928 WeakPolarHBondContact O-CB 3.25Å; H924-H928 PolarHBondContact O-N 3.01Å; A925-H928 WeakPolarHBondContact O-CB 3.36Å; A925-H928 PolarHBondContact O-N 2.95Å; I926-H928 PolarHBondContact O-N 3.18Å; H928-R931 WeakPolarHBondContact O-CB 2.88Å; H928-R931 PolarHBondContact O-N 3.39Å; H928-Q932 PolarHBondContact CE1-NE2 3.17Å; H928-Q932 PolarHBondContact NE2-NE2 2.9Å; H928-Q932 VanDerWaalsContact NE2-NE2 3.11Å; H928-Q932 PolarHBondContact O-N 3.38Å; H928-L1153 HydrophobicContact CB-CB 3.77Å |
| 929 | Y | 93.3 | Very high | 90.9 | Very high | 12 Ų | 12 | 32 Ų | 32 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72.2 | -32.9 | -177.8 | -69.8 | -65.8 | 0 | 0 | 0 | 113.1 | I835 L876 A925 I926 R931 Q932 S933 W1169 T1170 | I835-Y929 HydrophobicContact CD1-CD1 3.94Å; L876-Y929 HydrophobicContact CD2-CE1 3.88Å; A925-Y929 WeakPolarHBondContact O-CD2 3.5Å; A925-Y929 PolarHBondContact O-N 3.42Å; I926-Y929 PolarHBondContact O-N 2.78Å; Y929-R931 VanDerWaalsContact C-N 3.35Å; Y929-Q932 PolarHBondContact O-N 3.04Å; Y929-S933 PolarHBondContact O-N 3.23Å; Y929-S933 PolarHBondContact O-OG 2.66Å; Y929-W1169 HydrophobicContact CD2-CB 3.6Å; Y929-W1169 HydrophobicContact CD2-CG 4.47Å; Y929-W1169 HydrophobicContact CE2-CB 3.23Å; Y929-W1169 AromaticContact CE2-CG 3.81Å; Y929-W1169 HydrophobicContact CE2-CG 3.81Å; Y929-T1170 HydrophobicContact CD1-CG2 4.01Å; Y929-T1170 HydrophobicContact CE1-CG2 3.89Å; Y929-T1170 HydrophobicContact CG-CG2 4.39Å |
| 930 | T | 94.9 | Very high | 91.2 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 6% | 0.061 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 170.8 | -67.6 | 0 | 0 | 0 | 0 | 111.1 | F831 L905 I926 L927 S933 L934 F1143 | F831-T930 WeakPolarHBondContact O-CA 3.34Å; F831-T930 PolarHBondContact O-OG1 2.79Å; L905-T930 HydrophobicContact CD1-CG2 4.2Å; I926-T930 PolarHBondContact O-N 3.28Å; I926-T930 PolarHBondContact O-OG1 3.43Å; L927-T930 PolarHBondContact O-N 2.91Å; T930-S933 PolarHBondContact O-N 3.42Å; T930-L934 HydrophobicContact CG2-CD1 4.01Å; T930-L934 PolarHBondContact O-N 3.23Å; T930-F1143 HydrophobicContact CG2-CZ 4.28Å |
| 931 | R | 94 | Very high | 91.5 | Very high | 22 Ų | 22 | 28.9 Ų | 28.9 | 8% | 0.083 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 173.6 | -73.6 | 174.6 | 65.2 | 82.5 | 21.2 | 111.5 | L927 H928 Y929 S933 L934 F935 T936 S1145 F1147 A1149 | L927-R931 HydrophobicContact CD1-CG 4.13Å; L927-R931 HydrophobicContact CG-CG 4.33Å; L927-R931 VanDerWaalsContact O-CB 3.32Å; L927-R931 WeakPolarHBondContact O-CB 3.34Å; L927-R931 WeakPolarHBondContact O-CG 3.21Å; L927-R931 PolarHBondContact O-N 2.89Å; H928-R931 WeakPolarHBondContact O-CB 2.88Å; H928-R931 PolarHBondContact O-N 3.39Å; Y929-R931 VanDerWaalsContact C-N 3.35Å; R931-S933 PolarHBondContact O-N 2.75Å; R931-L934 PolarHBondContact O-N 3.29Å; R931-F935 HydrophobicContact CG-CD2 4.49Å; R931-F935 CarbonylContact O-C 3.59Å; R931-F935 WeakPolarHBondContact O-CA 3.34Å; R931-F935 PolarHBondContact O-N 2.84Å; R931-T936 PolarHBondContact NH2-OG1 2.82Å; R931-T936 PolarHBondContact O-N 3.03Å; R931-S1145 PolarHBondContact NH1-O 3.22Å; R931-F1147 PolarHBondContact NH1-O 2.86Å; R931-A1149 VanDerWaalsContact NH2-CA 3.3Å; R931-A1149 VanDerWaalsContact NH2-CB 3.31Å |
| 932 | Q | 92.6 | Very high | 91.9 | Very high | 52 Ų | 52 | 28.8 Ų | 28.8 | 24% | 0.243 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.5 | -25.9 | 176.7 | -76.4 | -171.4 | -13.8 | 0 | 0 | 114.1 | I835 H928 Y929 T936 A940 | I835-Q932 HydrophobicContact CD1-CB 3.64Å; I835-Q932 HydrophobicContact CG1-CB 4.18Å; I835-Q932 HydrophobicContact CG2-CB 4.49Å; H928-Q932 PolarHBondContact CE1-NE2 3.17Å; H928-Q932 PolarHBondContact NE2-NE2 2.9Å; H928-Q932 VanDerWaalsContact NE2-NE2 3.11Å; H928-Q932 PolarHBondContact O-N 3.38Å; Y929-Q932 PolarHBondContact O-N 3.04Å; Q932-T936 WeakPolarHBondContact CA-O 3.42Å; Q932-A940 WeakPolarHBondContact O-CB 3.48Å |
| 933 | S | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -82.7 | -35.4 | 177.6 | -54.8 | 0 | 0 | 0 | 0 | 112.3 | I832 S833 C882 Y929 T930 R931 A940 L941 | I832-S933 WeakPolarHBondContact CA-OG 3.46Å; S833-S933 PolarHBondContact N-OG 3.16Å; S833-S933 WeakPolarHBondContact O-CB 3.36Å; S833-S933 PolarHBondContact O-OG 3.23Å; C882-S933 PolarHBondContact SG-O 2.6Å; C882-S933 VanDerWaalsContact SG-O 3.37Å; Y929-S933 PolarHBondContact O-N 3.23Å; Y929-S933 PolarHBondContact O-OG 2.66Å; T930-S933 PolarHBondContact O-N 3.42Å; R931-S933 PolarHBondContact O-N 2.75Å; S933-A940 CarbonylContact O-C 3.52Å; S933-A940 WeakPolarHBondContact O-CA 3.23Å; S933-L941 PolarHBondContact O-N 2.94Å |
| 934 | L | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -111.7 | -38.9 | -169.1 | -67.2 | 173 | 0 | 0 | 0 | 114.4 | F831 I903 L905 T930 R931 L941 I942 P943 I958 | F831-L934 HydrophobicContact CB-CD1 4.33Å; F831-L934 HydrophobicContact CD1-CD1 4.02Å; F831-L934 HydrophobicContact CD1-CD2 3.72Å; F831-L934 HydrophobicContact CD1-CG 3.87Å; F831-L934 HydrophobicContact CE1-CD2 3.56Å; F831-L934 HydrophobicContact CE1-CG 4.2Å; F831-L934 HydrophobicContact CG-CD1 4.26Å; F831-L934 HydrophobicContact CZ-CD2 4.22Å; I903-L934 HydrophobicContact CD1-CD2 4.38Å; L905-L934 HydrophobicContact CD1-CD1 3.7Å; T930-L934 HydrophobicContact CG2-CD1 4.01Å; T930-L934 PolarHBondContact O-N 3.23Å; R931-L934 PolarHBondContact O-N 3.29Å; L934-L941 HydrophobicContact CD2-CB 4.09Å; L934-L941 HydrophobicContact CD2-CD2 4.01Å; L934-I942 VanDerWaalsContact O-CB 3.26Å; L934-I942 WeakPolarHBondContact O-CB 3.29Å; L934-I942 VanDerWaalsContact O-CG1 3.29Å; L934-I942 WeakPolarHBondContact O-CG1 3.38Å; L934-I942 PolarHBondContact O-N 3.05Å; L934-P943 WeakPolarHBondContact O-CD 3.45Å; L934-I958 HydrophobicContact CD1-CD1 4.28Å; L934-I958 HydrophobicContact CD2-CD1 4.3Å |
| 935 | F | 95.2 | Very high | 92.5 | Very high | 33 Ų | 33 | 28.2 Ų | 28.2 | 15% | 0.145 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.5 | -22.6 | -162.5 | -55.6 | -64.5 | 0 | 0 | 0 | 115.6 | R931 I942 P943 I958 F1143 S1145 | R931-F935 HydrophobicContact CG-CD2 4.49Å; R931-F935 CarbonylContact O-C 3.59Å; R931-F935 WeakPolarHBondContact O-CA 3.34Å; R931-F935 PolarHBondContact O-N 2.84Å; F935-I942 HydrophobicContact CD1-CB 4.49Å; F935-I942 HydrophobicContact CD1-CG1 4.09Å; F935-I942 HydrophobicContact CE1-CG1 4.14Å; F935-P943 VanDerWaalsContact O-CG 3.23Å; F935-P943 WeakPolarHBondContact O-CG 3.47Å; F935-I958 HydrophobicContact CE1-CD1 3.69Å; F935-I958 HydrophobicContact CZ-CB 4.43Å; F935-I958 HydrophobicContact CZ-CD1 3.54Å; F935-I958 HydrophobicContact CZ-CG2 4.27Å; F935-F1143 HydrophobicContact CD2-CE1 4.3Å; F935-F1143 AromaticContact CE2-CD1 3.56Å; F935-F1143 HydrophobicContact CE2-CD1 3.56Å; F935-F1143 AromaticContact CE2-CE1 3.46Å; F935-F1143 HydrophobicContact CE2-CE1 3.46Å; F935-F1143 VanDerWaalsContact CE2-CE1 3.46Å; F935-F1143 AromaticContact CZ-CD1 3.73Å; F935-F1143 HydrophobicContact CZ-CD1 3.73Å; F935-F1143 HydrophobicContact CZ-CE1 4.13Å; F935-S1145 VanDerWaalsContact CD1-CB 3.46Å |
| 936 | T | 90.6 | Very high | 92.7 | Very high | 60 Ų | 60 | 34.5 Ų | 34.5 | 37% | 0.368 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -130 | 127.2 | -167.4 | -55 | 0 | 0 | 0 | 0 | 111.4 | R931 Q932 A940 | R931-T936 PolarHBondContact NH2-OG1 2.82Å; R931-T936 PolarHBondContact O-N 3.03Å; Q932-T936 WeakPolarHBondContact CA-O 3.42Å; T936-A940 WeakPolarHBondContact O-CB 3.32Å |
| 937 | G | 85 | Confident | 92.8 | Very high | 47 Ų | 47 | 40.2 Ų | 40.2 | 49% | 0.485 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 97.3 | 158.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H939 A940 P943 | G937-H939 PolarHBondContact O-N 2.67Å; G937-A940 WeakPolarHBondContact O-CB 3.2Å; G937-A940 PolarHBondContact O-N 2.77Å; G937-P943 WeakPolarHBondContact O-CB 3.42Å |
| 938 | E | 82 | Confident | 92.8 | Very high | 139 Ų | 139 | 42.4 Ų | 42.4 | 65% | 0.65 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -21.9 | -172 | -61.4 | -176.6 | 167.1 | 0 | 0 | 113.9 | ||
| 939 | H | 84.3 | Confident | 92.9 | Very high | 73 Ų | 73 | 41 Ų | 41 | 34% | 0.338 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -6.3 | -177.7 | -56.1 | -57 | 0 | 0 | 0 | 113.9 | L836 G937 | L836-H939 VanDerWaalsContact CD1-CD2 3.41Å; L836-H939 WeakPolarHBondContact CD1-CD2 3.34Å; L836-H939 VanDerWaalsContact CD1-CE1 3.46Å; L836-H939 WeakPolarHBondContact CD1-CE1 3.25Å; L836-H939 WeakPolarHBondContact CD1-NE2 3.5Å; G937-H939 PolarHBondContact O-N 2.67Å |
| 940 | A | 92.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -65.2 | 147.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q932 S933 T936 G937 I942 P943 R944 | Q932-A940 WeakPolarHBondContact O-CB 3.48Å; S933-A940 CarbonylContact O-C 3.52Å; S933-A940 WeakPolarHBondContact O-CA 3.23Å; T936-A940 WeakPolarHBondContact O-CB 3.32Å; G937-A940 WeakPolarHBondContact O-CB 3.2Å; G937-A940 PolarHBondContact O-N 2.77Å; A940-I942 PolarHBondContact O-N 3.08Å; A940-P943 HydrophobicContact CB-CG 4.06Å; A940-P943 WeakPolarHBondContact O-CD 3.48Å; A940-R944 WeakPolarHBondContact O-CB 3.33Å; A940-R944 PolarHBondContact O-N 3.49Å |
| 941 | L | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -50.7 | -56.6 | -172.1 | -174.9 | 57 | 0 | 0 | 0 | 113.1 | I885 I903 S933 L934 L945 V956 | I885-L941 HydrophobicContact CG2-CD1 4.13Å; I885-L941 HydrophobicContact CG2-CD2 4.04Å; I903-L941 HydrophobicContact CD1-CD2 4.34Å; S933-L941 PolarHBondContact O-N 2.94Å; L934-L941 HydrophobicContact CD2-CB 4.09Å; L934-L941 HydrophobicContact CD2-CD2 4.01Å; L941-L945 HydrophobicContact CD1-CD1 3.87Å; L941-L945 HydrophobicContact CD1-CG 4.25Å; L941-L945 HydrophobicContact CG-CD1 3.99Å; L941-L945 WeakPolarHBondContact O-CB 3.14Å; L941-L945 VanDerWaalsContact O-CG 3.22Å; L941-L945 WeakPolarHBondContact O-CG 3.47Å; L941-L945 PolarHBondContact O-N 2.97Å; L941-V956 HydrophobicContact CD2-CG1 4.4Å |
| 942 | I | 96.4 | Very high | 92.9 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 5% | 0.046 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.4 | -51 | -171.9 | -57.5 | -59.7 | 0 | 0 | 0 | 111.7 | L934 F935 A940 R944 L945 K946 V956 I958 | L934-I942 VanDerWaalsContact O-CB 3.26Å; L934-I942 WeakPolarHBondContact O-CB 3.29Å; L934-I942 VanDerWaalsContact O-CG1 3.29Å; L934-I942 WeakPolarHBondContact O-CG1 3.38Å; L934-I942 PolarHBondContact O-N 3.05Å; F935-I942 HydrophobicContact CD1-CB 4.49Å; F935-I942 HydrophobicContact CD1-CG1 4.09Å; F935-I942 HydrophobicContact CE1-CG1 4.14Å; A940-I942 PolarHBondContact O-N 3.08Å; I942-R944 VanDerWaalsContact C-N 3.29Å; I942-R944 PolarHBondContact O-N 3.1Å; I942-L945 PolarHBondContact O-N 3.15Å; I942-K946 HydrophobicContact CG2-CD 4.44Å; I942-K946 WeakPolarHBondContact O-CG 3.3Å; I942-K946 PolarHBondContact O-N 3.21Å; I942-V956 HydrophobicContact CD1-CB 4.12Å; I942-V956 HydrophobicContact CD1-CG1 4.19Å; I942-V956 HydrophobicContact CD1-CG2 4.46Å; I942-I958 HydrophobicContact CD1-CD1 4.44Å; I942-I958 HydrophobicContact CG1-CD1 4.42Å |
| 943 | P | 94.4 | Very high | 93 | Very high | 32 Ų | 32 | 50.8 Ų | 50.8 | 21% | 0.208 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -55.5 | -41.9 | 174.8 | -27.5 | 36.1 | 0 | 0 | 0 | 113.4 | L934 F935 G937 A940 K946 Q947 | L934-P943 WeakPolarHBondContact O-CD 3.45Å; F935-P943 VanDerWaalsContact O-CG 3.23Å; F935-P943 WeakPolarHBondContact O-CG 3.47Å; G937-P943 WeakPolarHBondContact O-CB 3.42Å; A940-P943 HydrophobicContact CB-CG 4.06Å; A940-P943 WeakPolarHBondContact O-CD 3.48Å; P943-K946 WeakPolarHBondContact O-CB 3.44Å; P943-K946 PolarHBondContact O-N 2.76Å; P943-Q947 PolarHBondContact O-N 3.45Å |
| 944 | R | 94 | Very high | 93 | Very high | 39 Ų | 39 | 53.4 Ų | 53.4 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 178.8 | -164 | -174.5 | 176 | -178.7 | -1.5 | 112 | Y886 A940 I942 Q947 | Y886-R944 HydrophobicContact CD2-CB 4.21Å; Y886-R944 HydrophobicContact CD2-CG 3.9Å; Y886-R944 VanDerWaalsContact CE1-NE 3.27Å; Y886-R944 HydrophobicContact CE2-CB 4.09Å; Y886-R944 HydrophobicContact CE2-CG 3.47Å; Y886-R944 VanDerWaalsContact CE2-CG 3.47Å; Y886-R944 VanDerWaalsContact CZ-NE 3.33Å; A940-R944 WeakPolarHBondContact O-CB 3.33Å; A940-R944 PolarHBondContact O-N 3.49Å; I942-R944 VanDerWaalsContact C-N 3.29Å; I942-R944 PolarHBondContact O-N 3.1Å; R944-Q947 PolarHBondContact O-N 3.22Å |
| 945 | L | 96.8 | Very high | 93.1 | Very high | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66 | -39.1 | 172.8 | -71.4 | 172.4 | 0 | 0 | 0 | 111.9 | Y886 I889 L941 I942 Q947 V948 L949 P952 V956 | Y886-L945 HydrophobicContact CD2-CD2 3.6Å; Y886-L945 HydrophobicContact CD2-CG 4Å; Y886-L945 HydrophobicContact CE2-CD2 3.94Å; Y886-L945 HydrophobicContact CE2-CG 4.47Å; I889-L945 HydrophobicContact CB-CD2 4.12Å; I889-L945 HydrophobicContact CD1-CD1 3.84Å; I889-L945 HydrophobicContact CD1-CD2 4.47Å; I889-L945 HydrophobicContact CG2-CD1 4.48Å; I889-L945 HydrophobicContact CG2-CD2 3.71Å; L941-L945 HydrophobicContact CD1-CD1 3.87Å; L941-L945 HydrophobicContact CD1-CG 4.25Å; L941-L945 HydrophobicContact CG-CD1 3.99Å; L941-L945 WeakPolarHBondContact O-CB 3.14Å; L941-L945 VanDerWaalsContact O-CG 3.22Å; L941-L945 WeakPolarHBondContact O-CG 3.47Å; L941-L945 PolarHBondContact O-N 2.97Å; I942-L945 PolarHBondContact O-N 3.15Å; L945-Q947 PolarHBondContact O-N 2.87Å; L945-Q947 VanDerWaalsContact O-N 3.16Å; L945-V948 PolarHBondContact O-N 3.36Å; L945-L949 HydrophobicContact CB-CD1 4.24Å; L945-L949 HydrophobicContact CD2-CD1 3.8Å; L945-L949 HydrophobicContact CD2-CG 4.4Å; L945-L949 HydrophobicContact CG-CD1 4.47Å; L945-L949 WeakPolarHBondContact O-CB 3.24Å; L945-L949 PolarHBondContact O-N 2.86Å; L945-P952 HydrophobicContact CB-CB 3.81Å; L945-P952 HydrophobicContact CB-CG 3.79Å; L945-P952 HydrophobicContact CD1-CB 4.34Å; L945-V956 HydrophobicContact CD1-CG2 3.91Å |
| 946 | K | 95.6 | Very high | 93.3 | Very high | 134 Ų | 134 | 53.6 Ų | 53.6 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.2 | -23.3 | 177.6 | -73.2 | -177 | 176.7 | 178.3 | 0 | 113.6 | I942 P943 V948 P952 | I942-K946 HydrophobicContact CG2-CD 4.44Å; I942-K946 WeakPolarHBondContact O-CG 3.3Å; I942-K946 PolarHBondContact O-N 3.21Å; P943-K946 WeakPolarHBondContact O-CB 3.44Å; P943-K946 PolarHBondContact O-N 2.76Å; K946-V948 VanDerWaalsContact C-N 3.28Å; K946-P952 HydrophobicContact CB-CG 4.27Å; K946-P952 HydrophobicContact CG-CG 3.59Å |
| 947 | Q | 93.7 | Very high | 93.6 | Very high | 131 Ų | 131 | 50.9 Ų | 50.9 | 61% | 0.612 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -22.6 | 176.2 | -66.8 | 174 | -1.8 | 0 | 0 | 113 | P943 R944 L945 | P943-Q947 PolarHBondContact O-N 3.45Å; R944-Q947 PolarHBondContact O-N 3.22Å; L945-Q947 PolarHBondContact O-N 2.87Å; L945-Q947 VanDerWaalsContact O-N 3.16Å |
| 948 | V | 93.4 | Very high | 94.3 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 36% | 0.364 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | -30.9 | -172.2 | -170.5 | 0 | 0 | 0 | 0 | 112.5 | L890 L945 K946 | L890-V948 HydrophobicContact CD1-CB 4.45Å; L890-V948 HydrophobicContact CD1-CG1 3.59Å; L945-V948 PolarHBondContact O-N 3.36Å; K946-V948 VanDerWaalsContact C-N 3.28Å |
| 949 | L | 94.6 | Very high | 95.1 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | trans | -106.7 | 138.2 | -179 | -53.6 | -174.8 | 0 | 0 | 0 | 110.5 | I889 Y893 L945 P952 Y955 | I889-L949 HydrophobicContact CG2-CD1 3.72Å; Y893-L949 HydrophobicContact CD1-CD2 3.37Å; Y893-L949 HydrophobicContact CD2-CD2 3.5Å; Y893-L949 HydrophobicContact CE1-CD2 3.82Å; Y893-L949 HydrophobicContact CE2-CD2 3.95Å; Y893-L949 HydrophobicContact CG-CD2 3.17Å; L945-L949 HydrophobicContact CB-CD1 4.24Å; L945-L949 HydrophobicContact CD2-CD1 3.8Å; L945-L949 HydrophobicContact CD2-CG 4.4Å; L945-L949 HydrophobicContact CG-CD1 4.47Å; L945-L949 WeakPolarHBondContact O-CB 3.24Å; L945-L949 PolarHBondContact O-N 2.86Å; L949-P952 HydrophobicContact CB-CG 4.24Å; L949-Y955 HydrophobicContact CD1-CD2 3.75Å; L949-Y955 HydrophobicContact CD1-CE2 4.04Å; L949-Y955 HydrophobicContact CD1-CG 4.26Å | ||
| 950 | P | 92.3 | Very high | 95.8 | Very high | 99 Ų | 99 | 39.6 Ų | 39.6 | 64% | 0.643 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -63.1 | -44.4 | 175.1 | 24.4 | -32.3 | 0 | 0 | 0 | 111.9 | ||
| 951 | N | 94.4 | Very high | 96 | Very high | 91 Ų | 91 | 39.5 Ų | 39.5 | 49% | 0.487 | 20% | 0.201 | S | C | . | . | trans | -132.7 | 88.7 | -176.7 | -63.7 | -31.8 | 0 | 0 | 0 | 110.9 | E953 D954 | N951-E953 PolarHBondContact O-N 3.06Å; N951-D954 HydrophobicContact CB-CB 4.48Å; N951-D954 VanDerWaalsContact CB-OD2 3.22Å; N951-D954 WeakPolarHBondContact CB-OD2 3.46Å; N951-D954 WeakPolarHBondContact O-CB 3.41Å; N951-D954 PolarHBondContact O-N 2.86Å; N951-D954 VanDerWaalsContact O-N 3.12Å | ||
| 952 | P | 95.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 3% | 0.032 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -61.9 | -26.1 | 176.2 | -28.6 | 38.8 | 0 | 0 | 0 | 114.6 | L945 K946 L949 D954 Y955 V956 | L945-P952 HydrophobicContact CB-CB 3.81Å; L945-P952 HydrophobicContact CB-CG 3.79Å; L945-P952 HydrophobicContact CD1-CB 4.34Å; K946-P952 HydrophobicContact CB-CG 4.27Å; K946-P952 HydrophobicContact CG-CG 3.59Å; L949-P952 HydrophobicContact CB-CG 4.24Å; P952-D954 PolarHBondContact O-N 2.66Å; P952-Y955 PolarHBondContact O-N 2.8Å; P952-V956 PolarHBondContact O-N 3Å |
| 953 | E | 94.7 | Very high | 96.2 | Very high | 107 Ų | 107 | 40.7 Ų | 40.7 | 50% | 0.5 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -62.4 | -19.2 | 175.5 | -60.1 | -66.1 | 161.7 | 0 | 0 | 112.4 | N951 Y955 F1079 | N951-E953 PolarHBondContact O-N 3.06Å; E953-Y955 VanDerWaalsContact C-N 3.27Å; E953-F1079 WeakPolarHBondContact O-CE1 3.14Å |
| 954 | D | 96.4 | Very high | 96.4 | Very high | 56 Ų | 56 | 42.2 Ų | 42.2 | 30% | 0.299 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -70.5 | -27.7 | 170.6 | -63.8 | -21.7 | 0 | 0 | 0 | 110.6 | R900 N951 P952 F1079 H1080 | R900-D954 VanDerWaalsContact CD-O 3.23Å; R900-D954 WeakPolarHBondContact CD-O 3.4Å; R900-D954 PolarHBondContact NH1-O 2.73Å; N951-D954 HydrophobicContact CB-CB 4.48Å; N951-D954 VanDerWaalsContact CB-OD2 3.22Å; N951-D954 WeakPolarHBondContact CB-OD2 3.46Å; N951-D954 WeakPolarHBondContact O-CB 3.41Å; N951-D954 PolarHBondContact O-N 2.86Å; N951-D954 VanDerWaalsContact O-N 3.12Å; P952-D954 PolarHBondContact O-N 2.66Å; D954-F1079 WeakPolarHBondContact O-CE1 3.45Å; D954-H1080 IonicContact OD1-CE1 2.92Å; D954-H1080 PolarHBondContact OD1-CE1 3.38Å; D954-H1080 VanDerWaalsContact OD1-CE1 3.24Å; D954-H1080 IonicContact OD1-NE2 3.95Å |
| 955 | Y | 98 | Very high | 96.4 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 14% | 0.141 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -30.7 | -176.1 | -69.1 | -93.7 | 0 | 0 | 0 | 113.3 | I889 A892 F899 R900 V901 L949 P952 E953 | I889-Y955 HydrophobicContact CG2-CD1 3.76Å; I889-Y955 HydrophobicContact CG2-CE1 4.47Å; I889-Y955 HydrophobicContact CG2-CG 3.79Å; A892-Y955 HydrophobicContact CB-CE1 4.48Å; F899-Y955 HydrophobicContact CB-CD1 4.49Å; F899-Y955 VanDerWaalsContact O-CD1 3.3Å; F899-Y955 WeakPolarHBondContact O-CD1 3.3Å; R900-Y955 CarbonylContact C-O 3.48Å; R900-Y955 WeakPolarHBondContact CA-O 3.46Å; V901-Y955 PolarHBondContact N-O 2.82Å; L949-Y955 HydrophobicContact CD1-CD2 3.75Å; L949-Y955 HydrophobicContact CD1-CE2 4.04Å; L949-Y955 HydrophobicContact CD1-CG 4.26Å; P952-Y955 PolarHBondContact O-N 2.8Å; E953-Y955 VanDerWaalsContact C-N 3.27Å |
| 956 | V | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 126.1 | -170.1 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | I889 V901 I903 L941 I942 L945 P952 I958 | I889-V956 HydrophobicContact CD1-CG2 3.41Å; I889-V956 VanDerWaalsContact CD1-CG2 3.41Å; V901-V956 HydrophobicContact CB-CG2 4.33Å; V901-V956 CarbonylContact O-C 3.5Å; V901-V956 WeakPolarHBondContact O-CA 3.24Å; I903-V956 HydrophobicContact CD1-CG1 4.25Å; L941-V956 HydrophobicContact CD2-CG1 4.4Å; I942-V956 HydrophobicContact CD1-CB 4.12Å; I942-V956 HydrophobicContact CD1-CG1 4.19Å; I942-V956 HydrophobicContact CD1-CG2 4.46Å; L945-V956 HydrophobicContact CD1-CG2 3.91Å; P952-V956 PolarHBondContact O-N 3Å; V956-I958 HydrophobicContact CG1-CD1 4.19Å; V956-I958 HydrophobicContact CG1-CG1 3.86Å |
| 957 | S | 98.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.9 | 169.2 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | V901 I903 C959 W1083 N1084 | V901-S957 PolarHBondContact O-N 3.17Å; I903-S957 PolarHBondContact N-O 2.98Å; S957-C959 PolarHBondContact OG-SG 3.35Å; S957-W1083 VanDerWaalsContact OG-CD1 3.31Å; S957-W1083 PolarHBondContact OG-NE1 2.96Å; S957-N1084 VanDerWaalsContact CB-OD1 3.28Å; S957-N1084 WeakPolarHBondContact CB-OD1 3.49Å; S957-N1084 PolarHBondContact OG-OD1 2.82Å |
| 958 | I | 98.6 | Very high | 95.2 | Very high | 19 Ų | 19 | 38.5 Ų | 38.5 | 10% | 0.097 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 112.4 | 178 | -47.6 | 179.3 | 0 | 0 | 0 | 108.7 | I903 L905 L934 F935 I942 V956 F1143 | I903-I958 HydrophobicContact CB-CG1 4.24Å; I903-I958 HydrophobicContact CB-CG2 4.31Å; I903-I958 HydrophobicContact CD1-CG1 4.43Å; I903-I958 HydrophobicContact CG2-CG2 4.49Å; I903-I958 CarbonylContact O-C 3.58Å; I903-I958 VanDerWaalsContact O-CA 3.29Å; I903-I958 WeakPolarHBondContact O-CA 3.29Å; L905-I958 HydrophobicContact CD1-CG2 4.16Å; L934-I958 HydrophobicContact CD1-CD1 4.28Å; L934-I958 HydrophobicContact CD2-CD1 4.3Å; F935-I958 HydrophobicContact CE1-CD1 3.69Å; F935-I958 HydrophobicContact CZ-CB 4.43Å; F935-I958 HydrophobicContact CZ-CD1 3.54Å; F935-I958 HydrophobicContact CZ-CG2 4.27Å; I942-I958 HydrophobicContact CD1-CD1 4.44Å; I942-I958 HydrophobicContact CG1-CD1 4.42Å; V956-I958 HydrophobicContact CG1-CD1 4.19Å; V956-I958 HydrophobicContact CG1-CG1 3.86Å; I958-F1143 HydrophobicContact CB-CB 4.29Å; I958-F1143 HydrophobicContact CG2-CB 3.69Å; I958-F1143 HydrophobicContact CG2-CG 4.06Å; I958-F1143 WeakPolarHBondContact O-CB 3.39Å; I958-F1143 PolarHBondContact O-N 3.32Å |
| 959 | C | 98.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.02 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 167.4 | -172.4 | -69.9 | 0 | 0 | 0 | 0 | 111.9 | I903 M904 L905 S957 L1140 V1141 | I903-C959 PolarHBondContact O-N 2.8Å; M904-C959 WeakPolarHBondContact CA-O 3.22Å; M904-C959 HydrophobicContact CE-CB 3.99Å; M904-C959 HydrophobicContact SD-CB 3.62Å; L905-C959 PolarHBondContact N-O 3.44Å; S957-C959 PolarHBondContact OG-SG 3.35Å; C959-L1140 HydrophobicContact CB-CD1 3.59Å; C959-L1140 HydrophobicContact CB-CG 4.27Å; C959-V1141 CarbonylContact C-O 3.59Å; C959-V1141 WeakPolarHBondContact CA-O 3.31Å; C959-V1141 WeakPolarHBondContact CB-O 3.07Å |
| 960 | S | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | -173.1 | 174 | -158.5 | 0 | 0 | 0 | 0 | 110.4 | L905 S907 V1141 | L905-S960 WeakPolarHBondContact O-CA 3.37Å; L905-S960 WeakPolarHBondContact O-CB 3.18Å; L905-S960 PolarHBondContact O-OG 2.8Å; S907-S960 WeakPolarHBondContact CB-OG 3.39Å; S907-S960 PolarHBondContact N-OG 2.95Å; S960-V1141 PolarHBondContact N-O 3.08Å; S960-V1141 PolarHBondContact O-N 3Å; S960-V1141 VanDerWaalsContact O-O 3.09Å |
| 961 | L | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 139.4 | -175.1 | -58.6 | 176.7 | 0 | 0 | 0 | 111.4 | H675 M904 I977 I979 F1050 Y1139 L1140 | H675-L961 HydrophobicContact CB-CD1 4.11Å; M904-L961 HydrophobicContact CE-CD2 3.76Å; M904-L961 HydrophobicContact CE-CG 3.98Å; L961-I977 HydrophobicContact CB-CB 3.68Å; L961-I977 HydrophobicContact CB-CD1 4.06Å; L961-I977 HydrophobicContact CB-CG1 4.41Å; L961-I977 HydrophobicContact CB-CG2 4.27Å; L961-I977 HydrophobicContact CD1-CG2 4.22Å; L961-I977 PolarHBondContact O-N 3.43Å; L961-I979 HydrophobicContact CD1-CD1 3.94Å; L961-I979 HydrophobicContact CD1-CG1 3.85Å; L961-I979 HydrophobicContact CG-CD1 3.84Å; L961-I979 HydrophobicContact CG-CG1 4.12Å; L961-F1050 HydrophobicContact CD1-CD1 3.85Å; L961-F1050 HydrophobicContact CD1-CE1 3.55Å; L961-F1050 HydrophobicContact CD1-CZ 3.95Å; L961-F1050 HydrophobicContact CD2-CB 3.96Å; L961-F1050 HydrophobicContact CD2-CD1 3.65Å; L961-F1050 HydrophobicContact CD2-CD2 4.09Å; L961-F1050 HydrophobicContact CD2-CE1 4.17Å; L961-F1050 HydrophobicContact CD2-CG 3.64Å; L961-F1050 HydrophobicContact CG-CD1 4.43Å; L961-Y1139 CarbonylContact C-O 3.53Å; L961-Y1139 VanDerWaalsContact CA-O 3.28Å; L961-Y1139 WeakPolarHBondContact CA-O 3.19Å; L961-L1140 HydrophobicContact CD2-CD1 4.32Å |
| 962 | R | 98.3 | Very high | 94.2 | Very high | 17 Ų | 17 | 34.9 Ų | 34.9 | 6% | 0.064 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 147.3 | 175.9 | 177.8 | 177.2 | -87.6 | -91.9 | 3.8 | 110 | T974 E975 L976 F1094 C1100 I1101 Y1139 V1141 | R962-T974 WeakPolarHBondContact CG-OG1 3.42Å; R962-T974 PolarHBondContact NH1-OG1 2.78Å; R962-E975 WeakPolarHBondContact CG-O 3.45Å; R962-L976 HydrophobicContact CB-CD2 4.38Å; R962-F1094 HydrophobicContact CB-CD2 4.42Å; R962-F1094 HydrophobicContact CB-CE2 4.16Å; R962-F1094 HydrophobicContact CB-CZ 4.38Å; R962-F1094 VanDerWaalsContact CD-CD1 3.48Å; R962-F1094 VanDerWaalsContact CD-CG 3.42Å; R962-F1094 HydrophobicContact CG-CD1 4.03Å; R962-F1094 HydrophobicContact CG-CD2 4.17Å; R962-F1094 HydrophobicContact CG-CE1 3.88Å; R962-F1094 HydrophobicContact CG-CE2 4.02Å; R962-F1094 HydrophobicContact CG-CG 4.19Å; R962-F1094 HydrophobicContact CG-CZ 3.88Å; R962-C1100 PolarHBondContact NH1-SG 3.47Å; R962-I1101 PolarHBondContact NH2-O 3.43Å; R962-Y1139 PolarHBondContact N-O 2.95Å; R962-Y1139 WeakPolarHBondContact O-CA 3.5Å; R962-V1141 HydrophobicContact CB-CG1 3.94Å; R962-V1141 HydrophobicContact CB-CG2 4.03Å |
| 963 | N | 97.7 | Very high | 94.2 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 167.3 | 175.1 | -158.1 | 11.7 | 0 | 0 | 0 | 112 | N480 H481 L483 T974 E975 I977 Y1139 | N480-N963 PolarHBondContact O-ND2 3.42Å; H481-N963 PolarHBondContact O-ND2 2.87Å; L483-N963 HydrophobicContact CD2-CB 4.42Å; N963-T974 VanDerWaalsContact O-CA 3.26Å; N963-T974 WeakPolarHBondContact O-CA 3.28Å; N963-T974 WeakPolarHBondContact O-CB 3.17Å; N963-T974 PolarHBondContact O-OG1 2.96Å; N963-E975 PolarHBondContact N-O 3.16Å; N963-E975 PolarHBondContact O-N 2.9Å; N963-I977 HydrophobicContact CB-CD1 4.01Å; N963-I977 HydrophobicContact CB-CG1 4.18Å; N963-Y1139 HydrophobicContact CB-CD1 4.09Å; N963-Y1139 HydrophobicContact CB-CE1 4.37Å; N963-Y1139 WeakPolarHBondContact OD1-CE1 3.24Å |
| 964 | Y | 97.2 | Very high | 94.3 | Very high | 65 Ų | 65 | 34.7 Ų | 34.7 | 26% | 0.255 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 159.4 | 162.7 | 71.6 | -87 | 0 | 0 | 0 | 110.6 | I972 R973 F1094 F1098 L1133 I1136 | Y964-I972 HydrophobicContact CD2-CG2 3.72Å; Y964-I972 HydrophobicContact CE2-CG2 4.47Å; Y964-I972 HydrophobicContact CG-CG2 4.47Å; Y964-R973 CarbonylContact C-O 3.46Å; Y964-R973 WeakPolarHBondContact CA-O 3.45Å; Y964-R973 VanDerWaalsContact CB-O 3.28Å; Y964-R973 WeakPolarHBondContact CB-O 3.5Å; Y964-F1094 AromaticContact CD1-CE1 3.9Å; Y964-F1094 HydrophobicContact CD1-CE1 3.9Å; Y964-F1094 HydrophobicContact CD1-CZ 4.01Å; Y964-F1094 HydrophobicContact CG-CE1 4.48Å; Y964-F1098 HydrophobicContact CG-CZ 4.4Å; Y964-L1133 HydrophobicContact CD1-CD2 4Å; Y964-L1133 HydrophobicContact CD2-CD1 4.29Å; Y964-L1133 HydrophobicContact CE1-CB 4.36Å; Y964-L1133 HydrophobicContact CE1-CD2 3.98Å; Y964-L1133 HydrophobicContact CE2-CB 4.34Å; Y964-L1133 HydrophobicContact CE2-CD1 4.18Å; Y964-L1133 HydrophobicContact CG-CD2 4.32Å; Y964-L1133 PolarHBondContact OH-O 2.89Å; Y964-I1136 HydrophobicContact CE1-CB 4.07Å; Y964-I1136 HydrophobicContact CE1-CG1 4.08Å; Y964-I1136 HydrophobicContact CE1-CG2 4.13Å |
| 965 | D | 94.7 | Very high | 94.3 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 17% | 0.166 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 156.2 | 177.1 | -149.4 | -17.6 | 0 | 0 | 0 | 109.9 | L483 Q484 W967 I972 R973 | L483-D965 HydrophobicContact CB-CB 3.71Å; L483-D965 HydrophobicContact CD1-CB 4.16Å; L483-D965 HydrophobicContact CG-CB 3.93Å; L483-D965 PolarHBondContact N-OD2 2.93Å; Q484-D965 PolarHBondContact N-OD2 3.18Å; D965-W967 HydrophobicContact CB-CZ3 3.91Å; D965-W967 WeakPolarHBondContact O-CZ3 3.46Å; D965-I972 WeakPolarHBondContact O-CA 3.43Å; D965-R973 PolarHBondContact N-O 3.46Å; D965-R973 PolarHBondContact O-N 3.09Å |
| 966 | E | 91.3 | Very high | 94.3 | Very high | 103 Ų | 103 | 32.8 Ų | 32.8 | 48% | 0.481 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 125.2 | 176.8 | -175.6 | 172.6 | -163 | 0 | 0 | 109.5 | I972 R1126 | E966-I972 HydrophobicContact CB-CG1 4.25Å; E966-I972 HydrophobicContact CG-CG1 4.12Å; E966-R1126 IonicContact OE1-NH2 2.76Å; E966-R1126 PolarHBondContact OE1-NH2 2.96Å |
| 967 | W | 88.1 | Confident | 94.3 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | trans | -78.5 | 159.6 | 177.2 | -91.2 | -113 | 0 | 0 | 0 | 110.9 | L483 Q484 R666 T667 P670 D965 D969 G970 S971 R973 | L483-W967 HydrophobicContact CB-CH2 3.72Å; L483-W967 HydrophobicContact CB-CZ3 4.26Å; Q484-W967 HydrophobicContact CB-CD2 4.22Å; Q484-W967 HydrophobicContact CB-CH2 4.3Å; Q484-W967 HydrophobicContact CB-CZ2 3.87Å; Q484-W967 HydrophobicContact CG-CD2 4.31Å; Q484-W967 HydrophobicContact CG-CE3 4.49Å; R666-W967 PolarHBondContact O-NE1 3.18Å; T667-W967 PolarHBondContact O-NE1 3.15Å; P670-W967 HydrophobicContact CB-CH2 3.83Å; P670-W967 HydrophobicContact CB-CZ2 4.28Å; D965-W967 HydrophobicContact CB-CZ3 3.91Å; D965-W967 WeakPolarHBondContact O-CZ3 3.46Å; W967-D969 WeakPolarHBondContact CB-OD1 3.32Å; W967-D969 PolarHBondContact O-N 2.63Å; W967-G970 WeakPolarHBondContact O-CA 3.17Å; W967-G970 PolarHBondContact O-N 2.71Å; W967-S971 PolarHBondContact N-O 3.18Å; W967-R973 HydrophobicContact CE3-CB 4.09Å; W967-R973 HydrophobicContact CE3-CG 3.96Å; W967-R973 HydrophobicContact CH2-CB 3.94Å; W967-R973 HydrophobicContact CH2-CG 4.37Å; W967-R973 HydrophobicContact CZ3-CB 3.53Å; W967-R973 HydrophobicContact CZ3-CG 3.9Å | ||
| 968 | P | 82.1 | Confident | 94.3 | Very high | 86 Ų | 86 | 33 Ų | 33 | 56% | 0.558 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.5 | 177.6 | -27.4 | 37 | 0 | 0 | 0 | 115.4 | V492 G970 | V492-P968 HydrophobicContact CG2-CB 4.37Å; V492-P968 HydrophobicContact CG2-CG 3.81Å; P968-G970 VanDerWaalsContact C-N 3.26Å |
| 969 | D | 82.6 | Confident | 94.3 | Very high | 115 Ų | 115 | 32 Ų | 32 | 62% | 0.615 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 2.1 | 174.2 | 68.2 | -8.6 | 0 | 0 | 0 | 113.2 | W967 S971 | W967-D969 WeakPolarHBondContact CB-OD1 3.32Å; W967-D969 PolarHBondContact O-N 2.63Å; D969-S971 VanDerWaalsContact C-N 3.28Å; D969-S971 PolarHBondContact O-N 2.97Å; D969-S971 VanDerWaalsContact OD1-CB 3.24Å; D969-S971 WeakPolarHBondContact OD1-CB 3.15Å; D969-S971 PolarHBondContact OD1-N 3.5Å; D969-S971 PolarHBondContact OD1-OG 3.03Å; D969-S971 PolarHBondContact OD2-OG 2.95Å |
| 970 | G | 85.8 | Confident | 94.2 | Very high | 19 Ų | 19 | 32.1 Ų | 32.1 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 82.6 | -5.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | W967 P968 R1126 | W967-G970 WeakPolarHBondContact O-CA 3.17Å; W967-G970 PolarHBondContact O-N 2.71Å; P968-G970 VanDerWaalsContact C-N 3.26Å; G970-R1126 PolarHBondContact O-NH1 3.19Å; G970-R1126 PolarHBondContact O-NH2 3.31Å |
| 971 | S | 89.9 | Confident | 94.1 | Very high | 27 Ų | 27 | 32.1 Ų | 32.1 | 19% | 0.189 | 17% | 0.166 | C | C | . | . | trans | -66.7 | 139.1 | 176.7 | 69.2 | 0 | 0 | 0 | 0 | 110.7 | W967 D969 | W967-S971 PolarHBondContact N-O 3.18Å; D969-S971 VanDerWaalsContact C-N 3.28Å; D969-S971 PolarHBondContact O-N 2.97Å; D969-S971 VanDerWaalsContact OD1-CB 3.24Å; D969-S971 WeakPolarHBondContact OD1-CB 3.15Å; D969-S971 PolarHBondContact OD1-N 3.5Å; D969-S971 PolarHBondContact OD1-OG 3.03Å; D969-S971 PolarHBondContact OD2-OG 2.95Å | ||
| 972 | I | 94.8 | Very high | 94.1 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 9% | 0.092 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131 | 179.5 | -57 | 179.5 | 0 | 0 | 0 | 108.2 | Y964 D965 E966 F1098 I1122 V1130 L1133 | Y964-I972 HydrophobicContact CD2-CG2 3.72Å; Y964-I972 HydrophobicContact CE2-CG2 4.47Å; Y964-I972 HydrophobicContact CG-CG2 4.47Å; D965-I972 WeakPolarHBondContact O-CA 3.43Å; E966-I972 HydrophobicContact CB-CG1 4.25Å; E966-I972 HydrophobicContact CG-CG1 4.12Å; I972-F1098 HydrophobicContact CG2-CE1 4.07Å; I972-F1098 HydrophobicContact CG2-CZ 3.86Å; I972-I1122 HydrophobicContact CB-CD1 4.03Å; I972-I1122 HydrophobicContact CB-CG1 4.13Å; I972-I1122 HydrophobicContact CD1-CD1 4.1Å; I972-I1122 HydrophobicContact CG1-CD1 4.4Å; I972-V1130 HydrophobicContact CD1-CG2 3.83Å; I972-L1133 HydrophobicContact CD1-CD1 4.18Å; I972-L1133 HydrophobicContact CG2-CD1 3.93Å |
| 973 | R | 94.6 | Very high | 94.1 | Very high | 85 Ų | 85 | 31.4 Ų | 31.4 | 32% | 0.321 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 157.8 | -178.9 | -50 | 177 | 179.1 | -100.7 | -8.3 | 110.4 | C668 Y964 D965 W967 | C668-R973 VanDerWaalsContact O-CD 3.3Å; C668-R973 WeakPolarHBondContact O-CD 3.21Å; C668-R973 PolarHBondContact O-NE 2.8Å; C668-R973 PolarHBondContact O-NH1 3.37Å; Y964-R973 CarbonylContact C-O 3.46Å; Y964-R973 WeakPolarHBondContact CA-O 3.45Å; Y964-R973 VanDerWaalsContact CB-O 3.28Å; Y964-R973 WeakPolarHBondContact CB-O 3.5Å; D965-R973 PolarHBondContact N-O 3.46Å; D965-R973 PolarHBondContact O-N 3.09Å; W967-R973 HydrophobicContact CE3-CB 4.09Å; W967-R973 HydrophobicContact CE3-CG 3.96Å; W967-R973 HydrophobicContact CH2-CB 3.94Å; W967-R973 HydrophobicContact CH2-CG 4.37Å; W967-R973 HydrophobicContact CZ3-CB 3.53Å; W967-R973 HydrophobicContact CZ3-CG 3.9Å |
| 974 | T | 97.5 | Very high | 94.1 | Very high | 23 Ų | 23 | 30.7 Ų | 30.7 | 14% | 0.141 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 152.1 | -178.9 | -177.9 | 0 | 0 | 0 | 0 | 111.2 | R962 N963 F1094 F1098 | R962-T974 WeakPolarHBondContact CG-OG1 3.42Å; R962-T974 PolarHBondContact NH1-OG1 2.78Å; N963-T974 VanDerWaalsContact O-CA 3.26Å; N963-T974 WeakPolarHBondContact O-CA 3.28Å; N963-T974 WeakPolarHBondContact O-CB 3.17Å; N963-T974 PolarHBondContact O-OG1 2.96Å; T974-F1094 WeakPolarHBondContact OG1-CE1 2.98Å; T974-F1098 HydrophobicContact CG2-CB 3.52Å; T974-F1098 HydrophobicContact CG2-CD1 3.62Å; T974-F1098 HydrophobicContact CG2-CD2 3.59Å; T974-F1098 HydrophobicContact CG2-CE1 4.15Å; T974-F1098 HydrophobicContact CG2-CE2 4.09Å; T974-F1098 HydrophobicContact CG2-CG 3.31Å; T974-F1098 HydrophobicContact CG2-CZ 4.36Å |
| 975 | E | 97.3 | Very high | 94.2 | Very high | 34 Ų | 34 | 27.6 Ų | 27.6 | 16% | 0.159 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 153.7 | 172.3 | -172.2 | 52.9 | -79.4 | 0 | 0 | 110.3 | L483 N647 P670 R962 N963 | L483-E975 HydrophobicContact CD1-CB 3.98Å; L483-E975 HydrophobicContact CD2-CB 3.89Å; N647-E975 PolarHBondContact ND2-OE2 3.23Å; P670-E975 HydrophobicContact CB-CB 3.92Å; P670-E975 HydrophobicContact CB-CG 4.43Å; P670-E975 HydrophobicContact CG-CB 4.04Å; P670-E975 HydrophobicContact CG-CG 4.41Å; R962-E975 WeakPolarHBondContact CG-O 3.45Å; N963-E975 PolarHBondContact N-O 3.16Å; N963-E975 PolarHBondContact O-N 2.9Å |
| 976 | L | 97.6 | Very high | 94.4 | Very high | 18 Ų | 18 | 26.3 Ų | 26.3 | 9% | 0.094 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 142.6 | 171.4 | -63.7 | 176.1 | 0 | 0 | 0 | 110.8 | P673 L908 R962 | P673-L976 WeakPolarHBondContact CD-O 3.48Å; L908-L976 HydrophobicContact CB-CD1 4.01Å; L908-L976 HydrophobicContact CD1-CD1 4.1Å; L908-L976 HydrophobicContact CG-CD1 4.1Å; R962-L976 HydrophobicContact CB-CD2 4.38Å |
| 977 | I | 98.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 119.7 | 164.7 | -59.5 | 159.7 | 0 | 0 | 0 | 107.7 | H481 P673 H675 L961 N963 I979 Y1139 | H481-I977 HydrophobicContact CB-CD1 3.69Å; H481-I977 HydrophobicContact CB-CG1 3.93Å; P673-I977 HydrophobicContact CB-CG1 4.06Å; P673-I977 HydrophobicContact CB-CG2 4.36Å; P673-I977 HydrophobicContact CG-CB 4.16Å; P673-I977 HydrophobicContact CG-CG1 3.56Å; H675-I977 HydrophobicContact CB-CG2 3.81Å; L961-I977 HydrophobicContact CB-CB 3.68Å; L961-I977 HydrophobicContact CB-CD1 4.06Å; L961-I977 HydrophobicContact CB-CG1 4.41Å; L961-I977 HydrophobicContact CB-CG2 4.27Å; L961-I977 HydrophobicContact CD1-CG2 4.22Å; L961-I977 PolarHBondContact O-N 3.43Å; N963-I977 HydrophobicContact CB-CD1 4.01Å; N963-I977 HydrophobicContact CB-CG1 4.18Å; I977-I979 PolarHBondContact O-N 3.43Å; I977-Y1139 HydrophobicContact CD1-CD1 3.87Å; I977-Y1139 HydrophobicContact CD1-CD2 4.19Å; I977-Y1139 HydrophobicContact CD1-CG 3.63Å |
| 978 | Y | 97.8 | Very high | 95.1 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 2% | 0.02 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 107.5 | -176.5 | -170 | -119.2 | 0 | 0 | 0 | 110.8 | M672 P673 W674 H675 Q829 P906 A910 H980 | M672-Y978 HydrophobicContact CE-CD1 4.26Å; M672-Y978 HydrophobicContact CE-CG 4.07Å; P673-Y978 WeakPolarHBondContact O-CB 3.32Å; P673-Y978 PolarHBondContact O-N 2.83Å; W674-Y978 WeakPolarHBondContact CA-O 3.01Å; W674-Y978 AromaticContact CD2-CD1 3.77Å; W674-Y978 HydrophobicContact CD2-CD1 3.77Å; W674-Y978 AromaticContact CE2-CD1 3.83Å; W674-Y978 AromaticContact CE3-CD1 3.63Å; W674-Y978 HydrophobicContact CE3-CD1 3.63Å; W674-Y978 HydrophobicContact CE3-CE1 4.21Å; W674-Y978 AromaticContact CH2-CD1 3.68Å; W674-Y978 HydrophobicContact CH2-CD1 3.68Å; W674-Y978 AromaticContact CH2-CE1 3.68Å; W674-Y978 HydrophobicContact CH2-CE1 3.68Å; W674-Y978 AromaticContact CZ2-CD1 3.79Å; W674-Y978 HydrophobicContact CZ2-CD1 3.79Å; W674-Y978 HydrophobicContact CZ2-CE1 4.15Å; W674-Y978 AromaticContact CZ3-CD1 3.62Å; W674-Y978 HydrophobicContact CZ3-CD1 3.62Å; W674-Y978 AromaticContact CZ3-CE1 3.73Å; W674-Y978 HydrophobicContact CZ3-CE1 3.73Å; H675-Y978 PolarHBondContact N-O 2.63Å; Q829-Y978 HydrophobicContact CG-CE1 4.36Å; Q829-Y978 WeakPolarHBondContact CG-OH 3.46Å; Q829-Y978 PolarHBondContact NE2-OH 2.98Å; P906-Y978 HydrophobicContact CB-CD2 3.55Å; P906-Y978 HydrophobicContact CB-CE2 3.46Å; P906-Y978 VanDerWaalsContact CB-CE2 3.46Å; P906-Y978 HydrophobicContact CG-CD2 4.36Å; P906-Y978 HydrophobicContact CG-CE2 3.79Å; A910-Y978 HydrophobicContact CB-CD1 3.75Å; A910-Y978 HydrophobicContact CB-CD2 3.85Å; A910-Y978 HydrophobicContact CB-CE1 3.5Å; A910-Y978 VanDerWaalsContact CB-CE1 3.5Å; A910-Y978 HydrophobicContact CB-CE2 3.68Å; A910-Y978 HydrophobicContact CB-CG 3.9Å; A910-Y978 VanDerWaalsContact CB-CZ 3.47Å; A910-Y978 VanDerWaalsContact N-CE2 3.29Å; Y978-H980 HydrophobicContact CD1-CB 4.14Å; Y978-H980 HydrophobicContact CE1-CB 4.21Å; Y978-H980 AromaticContact CE1-CD2 3.91Å; Y978-H980 PolarHBondContact O-N 2.9Å; Y978-H980 VanDerWaalsContact O-N 3.17Å |
| 979 | I | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 108.1 | 174.2 | -53.3 | -174.5 | 0 | 0 | 0 | 108.6 | E827 M904 L905 P906 L961 I977 | E827-I979 HydrophobicContact CB-CG2 4.21Å; M904-I979 HydrophobicContact CB-CD1 3.89Å; M904-I979 HydrophobicContact CE-CD1 3.89Å; L905-I979 WeakPolarHBondContact O-CD1 3.35Å; P906-I979 HydrophobicContact CB-CB 4.39Å; L961-I979 HydrophobicContact CD1-CD1 3.94Å; L961-I979 HydrophobicContact CD1-CG1 3.85Å; L961-I979 HydrophobicContact CG-CD1 3.84Å; L961-I979 HydrophobicContact CG-CG1 4.12Å; I977-I979 PolarHBondContact O-N 3.43Å |
| 980 | H | 96.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 16.4 Ų | 16.4 | 2% | 0.023 | 8% | 0.082 | C | C | . | . | trans | -115 | -2.3 | 176.7 | -169.9 | -98.1 | 0 | 0 | 0 | 112.7 | G468 D470 R475 W674 H675 D676 Q829 Y978 K982 | G468-H980 PolarHBondContact O-CE1 3.23Å; G468-H980 PolarHBondContact O-ND1 3.49Å; G468-H980 VanDerWaalsContact O-ND1 3.08Å; D470-H980 IonicContact OD2-CE1 2.83Å; R475-H980 PolarHBondContact NH2-CE1 3.31Å; R475-H980 PolarHBondContact NH2-ND1 3.41Å; W674-H980 HydrophobicContact CE3-CB 3.49Å; W674-H980 VanDerWaalsContact CE3-CB 3.49Å; W674-H980 AromaticContact CE3-CG 3.72Å; W674-H980 HydrophobicContact CZ3-CB 3.71Å; W674-H980 AromaticContact CZ3-CD2 3.41Å; W674-H980 VanDerWaalsContact CZ3-CD2 3.41Å; W674-H980 WeakPolarHBondContact CZ3-CD2 3.3Å; W674-H980 AromaticContact CZ3-CG 3.43Å; W674-H980 VanDerWaalsContact CZ3-CG 3.43Å; W674-H980 AromaticContact CZ3-ND1 3.99Å; W674-H980 AromaticContact CZ3-NE2 3.96Å; H675-H980 PolarHBondContact O-N 2.78Å; D676-H980 WeakPolarHBondContact OD1-CB 3.43Å; D676-H980 IonicContact OD1-CG 2.84Å; D676-H980 IonicContact OD1-ND1 3.2Å; D676-H980 PolarHBondContact OD1-ND1 3.01Å; Q829-H980 PolarHBondContact NE2-CD2 2.82Å; Q829-H980 PolarHBondContact OE1-CD2 2.98Å; Q829-H980 PolarHBondContact OE1-NE2 3.5Å; Y978-H980 HydrophobicContact CD1-CB 4.14Å; Y978-H980 HydrophobicContact CE1-CB 4.21Å; Y978-H980 AromaticContact CE1-CD2 3.91Å; Y978-H980 PolarHBondContact O-N 2.9Å; Y978-H980 VanDerWaalsContact O-N 3.17Å; H980-K982 PolarHBondContact CD2-NZ 3.38Å; H980-K982 PolarHBondContact CE1-NZ 3.45Å; H980-K982 PolarHBondContact ND1-NZ 3.38Å; H980-K982 PolarHBondContact NE2-NZ 3.06Å; H980-K982 WeakPolarHBondContact O-CD 3.26Å; H980-K982 VanDerWaalsContact O-CE 3.31Å; H980-K982 WeakPolarHBondContact O-CE 3.47Å; H980-K982 PolarHBondContact O-NZ 2.79Å | ||
| 981 | S | 97.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -55.3 | 150.6 | 168.3 | -57.7 | 0 | 0 | 0 | 0 | 113.1 | H675 V677 E827 N828 Q829 | H675-S981 PolarHBondContact CD2-OG 3.07Å; H675-S981 PolarHBondContact NE2-OG 3.14Å; H675-S981 PolarHBondContact O-N 3.37Å; H675-S981 PolarHBondContact O-OG 2.86Å; V677-S981 VanDerWaalsContact CG2-OG 3.29Å; V677-S981 WeakPolarHBondContact CG2-OG 3.14Å; V677-S981 PolarHBondContact N-OG 3.47Å; V677-S981 VanDerWaalsContact N-OG 3.1Å; E827-S981 WeakPolarHBondContact OE2-CB 3.5Å; E827-S981 PolarHBondContact OE2-OG 3.22Å; N828-S981 VanDerWaalsContact CA-O 3.25Å; N828-S981 WeakPolarHBondContact CA-O 3.46Å; Q829-S981 PolarHBondContact N-O 3.34Å | ||
| 982 | K | 98.1 | Very high | 97.6 | Very high | 2 Ų | 2 | 14.3 Ų | 14.3 | 1% | 0.009 | 6% | 0.064 | C | C | . | . | trans | -134.7 | 84.2 | 170 | -67.5 | 91.9 | -175.9 | 160.8 | 0 | 108.2 | E827 H980 L993 G994 A996 N997 | E827-K982 WeakPolarHBondContact O-CA 3.3Å; H980-K982 PolarHBondContact CD2-NZ 3.38Å; H980-K982 PolarHBondContact CE1-NZ 3.45Å; H980-K982 PolarHBondContact ND1-NZ 3.38Å; H980-K982 PolarHBondContact NE2-NZ 3.06Å; H980-K982 WeakPolarHBondContact O-CD 3.26Å; H980-K982 VanDerWaalsContact O-CE 3.31Å; H980-K982 WeakPolarHBondContact O-CE 3.47Å; H980-K982 PolarHBondContact O-NZ 2.79Å; K982-L993 VanDerWaalsContact O-CA 3.3Å; K982-L993 WeakPolarHBondContact O-CA 3.44Å; K982-G994 PolarHBondContact O-N 2.79Å; K982-A996 WeakPolarHBondContact CG-O 3.42Å; K982-N997 WeakPolarHBondContact CE-OD1 3.38Å | ||
| 983 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 146.2 | -175.7 | 62.6 | 0 | 0 | 0 | 0 | 110.2 | I826 E827 I985 M991 I992 L993 F1042 | I826-V983 WeakPolarHBondContact CA-O 3.38Å; E827-V983 HydrophobicContact CB-CG1 3.82Å; E827-V983 HydrophobicContact CG-CG1 3.72Å; E827-V983 PolarHBondContact N-O 3.19Å; E827-V983 PolarHBondContact O-N 3.33Å; V983-I985 HydrophobicContact CG2-CG1 4.4Å; V983-M991 HydrophobicContact CG2-CG 3.91Å; V983-M991 HydrophobicContact CG2-SD 4.03Å; V983-I992 CarbonylContact C-O 3.52Å; V983-I992 VanDerWaalsContact CA-O 3.28Å; V983-I992 WeakPolarHBondContact CA-O 3.17Å; V983-I992 WeakPolarHBondContact CG2-O 3.38Å; V983-L993 HydrophobicContact CB-CB 4.28Å; V983-L993 HydrophobicContact CG2-CB 4.2Å; V983-F1042 HydrophobicContact CG2-CE1 4.18Å |
| 984 | M | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 133.9 | 166.3 | 175.3 | 179.5 | 74.1 | 0 | 0 | 110.3 | Y813 M816 I817 I824 Y825 I826 V986 M991 I992 | Y813-M984 HydrophobicContact CD1-CE 3.54Å; Y813-M984 HydrophobicContact CD1-SD 3.71Å; Y813-M984 HydrophobicContact CE1-CB 3.79Å; Y813-M984 HydrophobicContact CE1-CE 3.97Å; Y813-M984 HydrophobicContact CE1-CG 4.45Å; Y813-M984 HydrophobicContact CE1-SD 3.85Å; Y813-M984 HydrophobicContact CG-CE 4.03Å; M816-M984 HydrophobicContact CB-CE 3.69Å; M816-M984 HydrophobicContact CE-CE 4.02Å; M816-M984 HydrophobicContact CG-CE 4.5Å; M816-M984 HydrophobicContact SD-CE 4.12Å; I817-M984 HydrophobicContact CD1-CE 4.49Å; I817-M984 HydrophobicContact CD1-SD 4.05Å; I817-M984 HydrophobicContact CG1-CE 4.09Å; I817-M984 HydrophobicContact CG1-SD 3.74Å; I824-M984 HydrophobicContact CG2-CG 4.02Å; I824-M984 HydrophobicContact CG2-SD 3.92Å; Y825-M984 CarbonylContact O-C 3.51Å; Y825-M984 WeakPolarHBondContact O-CA 3.17Å; Y825-M984 WeakPolarHBondContact O-CG 3.28Å; I826-M984 HydrophobicContact CD1-SD 4.11Å; I826-M984 HydrophobicContact CG1-CB 4.11Å; I826-M984 HydrophobicContact CG1-CG 3.77Å; I826-M984 HydrophobicContact CG1-SD 4.02Å; M984-V986 HydrophobicContact CE-CG2 4.31Å; M984-V986 HydrophobicContact CG-CG2 4.24Å; M984-V986 HydrophobicContact SD-CG2 4.42Å; M984-M991 CarbonylContact O-C 3.45Å; M984-M991 VanDerWaalsContact O-CA 3.3Å; M984-M991 WeakPolarHBondContact O-CA 3.14Å; M984-I992 HydrophobicContact CB-CG2 3.66Å; M984-I992 HydrophobicContact CE-CG2 3.79Å; M984-I992 HydrophobicContact CG-CG2 4.48Å; M984-I992 PolarHBondContact N-O 3.39Å; M984-I992 PolarHBondContact O-N 3.21Å |
| 985 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 135.1 | 176.1 | -56.4 | 171.7 | 0 | 0 | 0 | 107.9 | F823 Y825 V983 M991 I1039 F1042 R1043 L1046 | F823-I985 HydrophobicContact CE2-CG2 4.28Å; F823-I985 HydrophobicContact CZ-CG2 4.38Å; Y825-I985 HydrophobicContact CD1-CD1 4.18Å; Y825-I985 HydrophobicContact CD1-CG1 4.43Å; Y825-I985 PolarHBondContact N-O 2.86Å; Y825-I985 PolarHBondContact O-N 3.05Å; V983-I985 HydrophobicContact CG2-CG1 4.4Å; I985-M991 HydrophobicContact CD1-SD 4.34Å; I985-M991 HydrophobicContact CG1-CB 4.38Å; I985-M991 HydrophobicContact CG1-CG 4.01Å; I985-M991 HydrophobicContact CG1-SD 4.05Å; I985-I1039 HydrophobicContact CG2-CG2 3.6Å; I985-F1042 HydrophobicContact CD1-CD1 3.76Å; I985-F1042 HydrophobicContact CD1-CE1 4.09Å; I985-R1043 HydrophobicContact CD1-CB 3.78Å; I985-R1043 HydrophobicContact CD1-CG 4.33Å; I985-L1046 HydrophobicContact CD1-CD1 4.33Å |
| 986 | V | 98.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 7.2 Ų | 7.2 | 3% | 0.03 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 119.5 | 177.3 | 176.6 | 0 | 0 | 0 | 0 | 109 | M816 A820 I824 M984 D988 K989 K990 | M816-V986 HydrophobicContact CB-CG2 4.09Å; M816-V986 HydrophobicContact CE-CB 4.26Å; M816-V986 HydrophobicContact CE-CG2 3.93Å; A820-V986 HydrophobicContact CB-CG1 3.5Å; A820-V986 VanDerWaalsContact CB-CG1 3.5Å; I824-V986 HydrophobicContact CG1-CG2 4.41Å; M984-V986 HydrophobicContact CE-CG2 4.31Å; M984-V986 HydrophobicContact CG-CG2 4.24Å; M984-V986 HydrophobicContact SD-CG2 4.42Å; V986-D988 PolarHBondContact O-N 3.33Å; V986-K989 PolarHBondContact O-N 3.42Å; V986-K990 PolarHBondContact N-O 3.4Å; V986-K990 PolarHBondContact O-N 3.22Å; V986-K990 VanDerWaalsContact O-N 3.16Å |
| 987 | D | 97.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 6.7 Ų | 6.7 | 2% | 0.021 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 22 | 175.3 | -56.9 | -50.6 | 0 | 0 | 0 | 116.2 | A820 E821 N822 F823 K989 | A820-D987 WeakPolarHBondContact CA-OD2 3.47Å; E821-D987 PolarHBondContact N-OD1 3.45Å; E821-D987 PolarHBondContact N-OD2 2.95Å; N822-D987 WeakPolarHBondContact CA-OD1 3.44Å; N822-D987 VanDerWaalsContact CB-OD1 3.32Å; N822-D987 WeakPolarHBondContact CB-OD1 3.47Å; N822-D987 PolarHBondContact N-OD1 2.87Å; N822-D987 PolarHBondContact ND2-OD1 3.06Å; N822-D987 VanDerWaalsContact ND2-OD1 3.12Å; F823-D987 PolarHBondContact N-OD1 3.42Å; F823-D987 PolarHBondContact O-N 3.17Å; D987-K989 HydrophobicContact CB-CB 4.46Å; D987-K989 HydrophobicContact CB-CD 4.19Å; D987-K989 HydrophobicContact CB-CG 4.25Å; D987-K989 PolarHBondContact O-N 3.33Å |
| 988 | D | 97.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.032 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 19.5 | -167.5 | -70.4 | -29 | 0 | 0 | 0 | 113.7 | F823 V986 F1028 V1035 H1036 Q1040 R1043 | F823-D988 HydrophobicContact CZ-CB 4.4Å; F823-D988 WeakPolarHBondContact CZ-OD1 3.43Å; V986-D988 PolarHBondContact O-N 3.33Å; D988-F1028 HydrophobicContact CB-CZ 4.22Å; D988-V1035 HydrophobicContact CB-CB 3.94Å; D988-V1035 HydrophobicContact CB-CG1 4.02Å; D988-H1036 WeakPolarHBondContact O-CA 3.3Å; D988-H1036 VanDerWaalsContact O-CB 3.31Å; D988-H1036 WeakPolarHBondContact O-CB 3.48Å; D988-H1036 PolarHBondContact O-N 2.81Å; D988-Q1040 HydrophobicContact CB-CB 3.95Å; D988-Q1040 HydrophobicContact CB-CG 4.49Å; D988-Q1040 VanDerWaalsContact CG-CA 3.49Å; D988-Q1040 WeakPolarHBondContact OD2-CG 3.47Å; D988-R1043 WeakPolarHBondContact OD1-CB 3.49Å; D988-R1043 WeakPolarHBondContact OD1-CD 3.45Å; D988-R1043 IonicContact OD1-NE 3.44Å; D988-R1043 PolarHBondContact OD1-NE 3.04Å; D988-R1043 IonicContact OD2-CZ 3.86Å; D988-R1043 IonicContact OD2-NE 3.64Å; D988-R1043 PolarHBondContact OD2-NE 2.94Å; D988-R1043 IonicContact OD2-NH2 3.61Å; D988-R1043 PolarHBondContact OD2-NH2 3.03Å |
| 989 | K | 97.3 | Very high | 97.6 | Very high | 55 Ų | 55 | 6.8 Ų | 6.8 | 24% | 0.239 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -37.4 | 179.1 | -72.5 | 175.9 | -177.1 | 172.6 | 0 | 112.3 | E821 V986 D987 K1034 I1039 | E821-K989 IonicContact OE2-NZ 2.8Å; E821-K989 PolarHBondContact OE2-NZ 2.9Å; V986-K989 PolarHBondContact O-N 3.42Å; D987-K989 HydrophobicContact CB-CB 4.46Å; D987-K989 HydrophobicContact CB-CD 4.19Å; D987-K989 HydrophobicContact CB-CG 4.25Å; D987-K989 PolarHBondContact O-N 3.33Å; K989-K1034 WeakPolarHBondContact CE-O 3.42Å; K989-K1034 VanDerWaalsContact CG-O 3.32Å; K989-K1034 WeakPolarHBondContact CG-O 3.46Å; K989-I1039 WeakPolarHBondContact O-CD1 3.49Å |
| 990 | K | 98.1 | Very high | 97.4 | Very high | 44 Ų | 44 | 6.8 Ų | 6.8 | 19% | 0.191 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.6 | -175.8 | -63 | 180 | -178 | 174.4 | 0 | 110.4 | M816 V986 I1015 E1016 | M816-K990 HydrophobicContact CE-CB 3.64Å; M816-K990 HydrophobicContact CG-CD 4.4Å; V986-K990 PolarHBondContact N-O 3.4Å; V986-K990 PolarHBondContact O-N 3.22Å; V986-K990 VanDerWaalsContact O-N 3.16Å; K990-I1015 WeakPolarHBondContact CA-O 3.46Å; K990-E1016 HydrophobicContact CG-CB 4.2Å |
| 991 | M | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 136.4 | 175.5 | 177.3 | 170.2 | 67.9 | 0 | 0 | 110.4 | M348 V983 M984 I985 L993 I1014 I1015 I1039 F1042 | M348-M991 HydrophobicContact CE-CE 3.74Å; M348-M991 HydrophobicContact CE-SD 4.23Å; M348-M991 HydrophobicContact CG-CE 3.7Å; M348-M991 HydrophobicContact SD-CE 3.48Å; M348-M991 WeakPolarHBondContact SD-CE 3.36Å; V983-M991 HydrophobicContact CG2-CG 3.91Å; V983-M991 HydrophobicContact CG2-SD 4.03Å; M984-M991 CarbonylContact O-C 3.45Å; M984-M991 VanDerWaalsContact O-CA 3.3Å; M984-M991 WeakPolarHBondContact O-CA 3.14Å; I985-M991 HydrophobicContact CD1-SD 4.34Å; I985-M991 HydrophobicContact CG1-CB 4.38Å; I985-M991 HydrophobicContact CG1-CG 4.01Å; I985-M991 HydrophobicContact CG1-SD 4.05Å; M991-L993 HydrophobicContact CE-CD2 4.18Å; M991-L993 HydrophobicContact CG-CD2 4.46Å; M991-I1014 CarbonylContact O-C 3.56Å; M991-I1014 WeakPolarHBondContact O-CA 3.46Å; M991-I1015 HydrophobicContact CE-CD1 3.38Å; M991-I1015 PolarHBondContact N-O 3.05Å; M991-I1015 PolarHBondContact O-N 2.77Å; M991-I1039 HydrophobicContact CB-CD1 4.21Å; M991-I1039 HydrophobicContact CB-CG1 4.44Å; M991-I1039 HydrophobicContact CB-CG2 4.2Å; M991-F1042 HydrophobicContact CE-CD1 4.19Å; M991-F1042 HydrophobicContact SD-CD1 3.32Å; M991-F1042 WeakPolarHBondContact SD-CD1 3.39Å; M991-F1042 HydrophobicContact SD-CE1 3.48Å; M991-F1042 WeakPolarHBondContact SD-CE1 3.19Å; M991-F1042 HydrophobicContact SD-CG 4.28Å |
| 992 | I | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 9.4 Ų | 9.4 | 1% | 0.005 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.7 | 171.4 | -178.4 | 164 | 0 | 0 | 0 | 109.2 | L756 A812 Y813 M816 V983 M984 I1013 | L756-I992 HydrophobicContact CD1-CD1 3.6Å; L756-I992 HydrophobicContact CD1-CG1 4.25Å; A812-I992 HydrophobicContact CB-CD1 3.75Å; Y813-I992 HydrophobicContact CD2-CD1 3.69Å; Y813-I992 HydrophobicContact CD2-CG2 4.38Å; Y813-I992 HydrophobicContact CE1-CG2 4.41Å; Y813-I992 HydrophobicContact CE2-CD1 3.73Å; Y813-I992 HydrophobicContact CE2-CG1 4.1Å; Y813-I992 HydrophobicContact CE2-CG2 3.97Å; M816-I992 HydrophobicContact CE-CB 4.31Å; M816-I992 HydrophobicContact CE-CG2 4Å; M816-I992 HydrophobicContact SD-CB 3.9Å; M816-I992 HydrophobicContact SD-CG2 3.85Å; V983-I992 CarbonylContact C-O 3.52Å; V983-I992 VanDerWaalsContact CA-O 3.28Å; V983-I992 WeakPolarHBondContact CA-O 3.17Å; V983-I992 WeakPolarHBondContact CG2-O 3.38Å; M984-I992 HydrophobicContact CB-CG2 3.66Å; M984-I992 HydrophobicContact CE-CG2 3.79Å; M984-I992 HydrophobicContact CG-CG2 4.48Å; M984-I992 PolarHBondContact N-O 3.39Å; M984-I992 PolarHBondContact O-N 3.21Å; I992-I1013 WeakPolarHBondContact CA-O 3.46Å; I992-I1013 WeakPolarHBondContact CG1-O 3.15Å |
| 993 | L | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 9.3 Ų | 9.3 | 1% | 0.01 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 159.3 | 171.1 | 69.1 | 135.6 | 0 | 0 | 0 | 112.1 | M348 C679 K982 V983 M991 G1012 I1013 I1015 | M348-L993 HydrophobicContact CE-CD1 3.79Å; M348-L993 HydrophobicContact CE-CD2 3.59Å; M348-L993 HydrophobicContact CE-CG 4.23Å; M348-L993 HydrophobicContact SD-CD2 3.94Å; C679-L993 HydrophobicContact CB-CD1 4.05Å; K982-L993 VanDerWaalsContact O-CA 3.3Å; K982-L993 WeakPolarHBondContact O-CA 3.44Å; V983-L993 HydrophobicContact CB-CB 4.28Å; V983-L993 HydrophobicContact CG2-CB 4.2Å; M991-L993 HydrophobicContact CE-CD2 4.18Å; M991-L993 HydrophobicContact CG-CD2 4.46Å; L993-G1012 CarbonylContact O-C 3.54Å; L993-G1012 WeakPolarHBondContact O-CA 3.45Å; L993-I1013 HydrophobicContact CD2-CD1 4.05Å; L993-I1013 HydrophobicContact CD2-CG1 3.87Å; L993-I1013 HydrophobicContact CG-CD1 4.44Å; L993-I1013 HydrophobicContact CG-CG1 3.99Å; L993-I1013 PolarHBondContact N-O 3.2Å; L993-I1013 PolarHBondContact O-N 3.16Å; L993-I1015 HydrophobicContact CD2-CD1 3.55Å |
| 994 | G | 97.7 | Very high | 96.4 | Very high | 5 Ų | 5 | 10.1 Ų | 10.1 | 5% | 0.052 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.6 | -149.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | G467 G468 K982 L1011 | G467-G994 CarbonylContact C-O 3.53Å; G468-G994 PolarHBondContact N-O 3.35Å; K982-G994 PolarHBondContact O-N 2.79Å; G994-L1011 CarbonylContact C-O 3.54Å; G994-L1011 VanDerWaalsContact CA-O 3.23Å; G994-L1011 WeakPolarHBondContact CA-O 3.33Å |
| 995 | S | 96.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.007 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -98.9 | -8.3 | 178.6 | 63.1 | 0 | 0 | 0 | 0 | 114.3 | H453 E1010 L1011 | H453-S995 PolarHBondContact ND1-O 2.8Å; H453-S995 WeakPolarHBondContact O-CB 3.24Å; H453-S995 PolarHBondContact O-OG 3.12Å; S995-E1010 VanDerWaalsContact CB-OE2 3.27Å; S995-E1010 WeakPolarHBondContact CB-OE2 3.34Å; S995-E1010 VanDerWaalsContact O-OE2 3.11Å; S995-E1010 WeakPolarHBondContact OG-CA 3.45Å; S995-E1010 PolarHBondContact OG-OE2 3.15Å; S995-L1011 PolarHBondContact N-O 2.99Å; S995-L1011 PolarHBondContact OG-N 3.32Å; S995-L1011 VanDerWaalsContact OG-N 3.07Å; S995-L1011 PolarHBondContact OG-O 3.44Å |
| 996 | A | 97.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 14 Ų | 14 | 3% | 0.033 | 6% | 0.064 | C | C | . | . | trans | -79.6 | 121 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V809 N828 K982 M1003 E1010 | V809-A996 HydrophobicContact CG1-CB 3.76Å; N828-A996 PolarHBondContact ND2-O 3.42Å; K982-A996 WeakPolarHBondContact CG-O 3.42Å; A996-M1003 HydrophobicContact CB-CE 4.23Å; A996-E1010 HydrophobicContact CB-CB 4.04Å; A996-E1010 HydrophobicContact CB-CG 3.91Å | ||
| 997 | N | 96.3 | Very high | 94.6 | Very high | 7 Ų | 7 | 14.2 Ų | 14.2 | 4% | 0.037 | 6% | 0.064 | C | C | . | . | trans | -73.3 | 153.9 | 169.8 | -67.7 | -47.5 | 0 | 0 | 0 | 111.3 | N828 Q829 Y830 K982 N999 S1002 M1003 | N828-N997 VanDerWaalsContact OD1-CA 3.29Å; N828-N997 WeakPolarHBondContact OD1-CA 3.43Å; N828-N997 PolarHBondContact OD1-OD1 3.34Å; Q829-N997 WeakPolarHBondContact CB-OD1 2.97Å; Q829-N997 PolarHBondContact OE1-OD1 3.21Å; Y830-N997 HydrophobicContact CD2-CB 3.87Å; Y830-N997 VanDerWaalsContact CD2-CG 3.46Å; K982-N997 WeakPolarHBondContact CE-OD1 3.38Å; N997-N999 PolarHBondContact O-N 3.39Å; N997-S1002 VanDerWaalsContact N-CB 3.31Å; N997-S1002 PolarHBondContact N-OG 2.98Å; N997-S1002 VanDerWaalsContact N-OG 3.13Å; N997-S1002 WeakPolarHBondContact O-CB 3.43Å; N997-M1003 VanDerWaalsContact O-CE 3.25Å; N997-M1003 WeakPolarHBondContact O-CE 3.43Å | ||
| 998 | I | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | B | Isolated β-bridge | trans | -79 | 84.1 | 169.7 | -65.8 | 166.3 | 0 | 0 | 0 | 107.5 | Y813 I826 N828 Y830 F831 I832 I881 M1003 | Y813-I998 HydrophobicContact CE1-CD1 4.27Å; Y813-I998 HydrophobicContact CE1-CG1 4.46Å; I826-I998 HydrophobicContact CG2-CD1 3.77Å; N828-I998 HydrophobicContact CB-CD1 4.09Å; N828-I998 HydrophobicContact CB-CG1 4.43Å; N828-I998 PolarHBondContact OD1-N 3.37Å; N828-I998 VanDerWaalsContact OD1-N 3.14Å; Y830-I998 WeakPolarHBondContact O-CB 3.33Å; Y830-I998 PolarHBondContact O-N 2.82Å; F831-I998 HydrophobicContact CD1-CG2 4.46Å; F831-I998 HydrophobicContact CD2-CB 4.39Å; F831-I998 HydrophobicContact CD2-CD1 3.7Å; F831-I998 HydrophobicContact CD2-CG2 4.16Å; F831-I998 HydrophobicContact CE2-CD1 3.79Å; F831-I998 HydrophobicContact CE2-CG2 4.34Å; F831-I998 HydrophobicContact CG-CG2 4.22Å; I832-I998 PolarHBondContact N-O 3.16Å; I881-I998 HydrophobicContact CB-CG2 4.33Å; I881-I998 HydrophobicContact CD1-CG1 4.19Å; I881-I998 HydrophobicContact CD1-CG2 4.08Å; I881-I998 HydrophobicContact CG2-CD1 4.47Å; I881-I998 HydrophobicContact CG2-CG2 4.24Å; I998-M1003 HydrophobicContact CG1-CE 3.94Å |
| 999 | N | 95.1 | Very high | 94.1 | Very high | 7 Ų | 7 | 14.2 Ų | 14.2 | 4% | 0.037 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -160.6 | 163.3 | 174.4 | 67.9 | 24.8 | 0 | 0 | 0 | 109.2 | I832 N997 R1001 S1002 M1003 T1170 | I832-N999 HydrophobicContact CB-CB 4.09Å; I832-N999 WeakPolarHBondContact O-CA 3.43Å; N997-N999 PolarHBondContact O-N 3.39Å; N999-R1001 VanDerWaalsContact C-N 3.27Å; N999-R1001 PolarHBondContact O-N 3.26Å; N999-R1001 WeakPolarHBondContact OD1-CB 3.44Å; N999-R1001 PolarHBondContact OD1-N 3.13Å; N999-S1002 PolarHBondContact O-N 2.89Å; N999-S1002 WeakPolarHBondContact OD1-CB 3.48Å; N999-S1002 PolarHBondContact OD1-N 3.37Å; N999-S1002 PolarHBondContact OD1-OG 2.92Å; N999-M1003 WeakPolarHBondContact O-CB 3.34Å; N999-M1003 WeakPolarHBondContact O-CG 3.47Å; N999-M1003 PolarHBondContact O-N 3.03Å; N999-T1170 VanDerWaalsContact CB-OXT 3.25Å; N999-T1170 WeakPolarHBondContact CB-OXT 3.31Å |
| 1000 | D | 93.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.1 | -31.6 | -179.6 | -80.4 | 3.2 | 0 | 0 | 0 | 112.7 | K878 N879 S1002 M1003 L1004 R1007 T1170 | K878-D1000 PolarHBondContact N-OD1 2.84Å; K878-D1000 VanDerWaalsContact N-OD1 3.13Å; K878-D1000 PolarHBondContact N-OD2 2.76Å; N879-D1000 VanDerWaalsContact CB-OD1 3.29Å; N879-D1000 WeakPolarHBondContact CB-OD1 3.15Å; N879-D1000 PolarHBondContact N-OD1 2.78Å; N879-D1000 PolarHBondContact ND2-N 2.71Å; N879-D1000 PolarHBondContact ND2-OD1 3.23Å; D1000-S1002 VanDerWaalsContact C-N 3.33Å; D1000-S1002 PolarHBondContact O-N 2.85Å; D1000-M1003 PolarHBondContact O-N 3.28Å; D1000-L1004 HydrophobicContact CB-CD1 3.61Å; D1000-L1004 HydrophobicContact CB-CG 3.8Å; D1000-L1004 VanDerWaalsContact CG-CD1 3.47Å; D1000-L1004 WeakPolarHBondContact O-CB 3.22Å; D1000-L1004 WeakPolarHBondContact O-CG 3.42Å; D1000-L1004 PolarHBondContact O-N 3.27Å; D1000-L1004 VanDerWaalsContact O-N 3.09Å; D1000-L1004 WeakPolarHBondContact OD2-CD1 3.47Å; D1000-R1007 VanDerWaalsContact CB-CZ 3.41Å; D1000-R1007 IonicContact OD2-NH2 2.68Å; D1000-R1007 PolarHBondContact OD2-NH2 3.49Å; D1000-T1170 WeakPolarHBondContact CB-OXT 3.38Å; D1000-T1170 PolarHBondContact N-OXT 2.93Å |
| 1001 | R | 90.3 | Very high | 94.1 | Very high | 59 Ų | 59 | 9.5 Ų | 9.5 | 22% | 0.223 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -52.3 | -48.1 | 172 | -86.5 | 178.2 | 66.4 | -176 | -3.9 | 113.2 | W450 N999 R1007 D1008 I1168 T1170 | W450-R1001 HydrophobicContact CE3-CG 4.3Å; W450-R1001 HydrophobicContact CZ3-CG 4.08Å; N999-R1001 VanDerWaalsContact C-N 3.27Å; N999-R1001 PolarHBondContact O-N 3.26Å; N999-R1001 WeakPolarHBondContact OD1-CB 3.44Å; N999-R1001 PolarHBondContact OD1-N 3.13Å; R1001-R1007 HydrophobicContact CG-CB 4.48Å; R1001-R1007 VanDerWaalsContact O-CB 3.26Å; R1001-R1007 WeakPolarHBondContact O-CB 3.39Å; R1001-D1008 IonicContact CZ-OD2 2.84Å; R1001-D1008 IonicContact NE-OD1 3.56Å; R1001-D1008 IonicContact NE-OD2 2.89Å; R1001-D1008 PolarHBondContact NE-OD2 2.72Å; R1001-D1008 IonicContact NH2-OD1 2.93Å; R1001-D1008 IonicContact NH2-OD2 3.29Å; R1001-D1008 PolarHBondContact NH2-OD2 3.1Å; R1001-D1008 WeakPolarHBondContact O-CB 3.29Å; R1001-D1008 PolarHBondContact O-N 2.78Å; R1001-I1168 WeakPolarHBondContact CD-O 3.41Å; R1001-I1168 PolarHBondContact NH1-O 2.92Å; R1001-I1168 VanDerWaalsContact NH1-O 3.08Å; R1001-T1170 VanDerWaalsContact CG-O 3.32Å; R1001-T1170 WeakPolarHBondContact CG-O 3.5Å; R1001-T1170 PolarHBondContact N-O 3.18Å; R1001-T1170 VanDerWaalsContact N-O 3.16Å |
| 1002 | S | 94.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.007 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -89.1 | -29.7 | -179 | -67.7 | 0 | 0 | 0 | 0 | 112 | S758 N997 N999 D1000 E1010 | S758-S1002 WeakPolarHBondContact CB-O 3.21Å; S758-S1002 PolarHBondContact OG-O 3.26Å; N997-S1002 VanDerWaalsContact N-CB 3.31Å; N997-S1002 PolarHBondContact N-OG 2.98Å; N997-S1002 VanDerWaalsContact N-OG 3.13Å; N997-S1002 WeakPolarHBondContact O-CB 3.43Å; N999-S1002 PolarHBondContact O-N 2.89Å; N999-S1002 WeakPolarHBondContact OD1-CB 3.48Å; N999-S1002 PolarHBondContact OD1-N 3.37Å; N999-S1002 PolarHBondContact OD1-OG 2.92Å; D1000-S1002 VanDerWaalsContact C-N 3.33Å; D1000-S1002 PolarHBondContact O-N 2.85Å; S1002-E1010 VanDerWaalsContact CB-OE1 3.29Å; S1002-E1010 WeakPolarHBondContact CB-OE1 3.47Å; S1002-E1010 PolarHBondContact OG-OE1 2.73Å |
| 1003 | M | 94.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -93.6 | -29.9 | -167.8 | -67.7 | -64.3 | 175.8 | 0 | 0 | 115.4 | V809 L810 Y813 N879 I881 A996 N997 I998 N999 D1000 G1005 | V809-M1003 HydrophobicContact CG1-CE 4.32Å; V809-M1003 HydrophobicContact CG1-SD 4.02Å; L810-M1003 HydrophobicContact CB-CB 4.1Å; L810-M1003 VanDerWaalsContact CB-O 3.25Å; L810-M1003 WeakPolarHBondContact CB-O 3.39Å; L810-M1003 HydrophobicContact CB-SD 4.1Å; L810-M1003 HydrophobicContact CD1-CB 4.17Å; L810-M1003 HydrophobicContact CD1-CG 4.48Å; L810-M1003 HydrophobicContact CD1-SD 4.4Å; L810-M1003 HydrophobicContact CD2-CB 4.28Å; L810-M1003 HydrophobicContact CG-CB 4.41Å; Y813-M1003 HydrophobicContact CD2-CE 4.02Å; Y813-M1003 HydrophobicContact CE2-CE 3.93Å; Y813-M1003 HydrophobicContact CG-CE 4.48Å; N879-M1003 HydrophobicContact CB-CB 3.91Å; N879-M1003 HydrophobicContact CB-CG 4.43Å; I881-M1003 HydrophobicContact CD1-CE 3.79Å; I881-M1003 HydrophobicContact CD1-CG 4.1Å; I881-M1003 HydrophobicContact CD1-SD 3.93Å; A996-M1003 HydrophobicContact CB-CE 4.23Å; N997-M1003 VanDerWaalsContact O-CE 3.25Å; N997-M1003 WeakPolarHBondContact O-CE 3.43Å; I998-M1003 HydrophobicContact CG1-CE 3.94Å; N999-M1003 WeakPolarHBondContact O-CB 3.34Å; N999-M1003 WeakPolarHBondContact O-CG 3.47Å; N999-M1003 PolarHBondContact O-N 3.03Å; D1000-M1003 PolarHBondContact O-N 3.28Å; M1003-G1005 VanDerWaalsContact C-N 3.33Å; M1003-G1005 PolarHBondContact O-N 3.36Å |
| 1004 | L | 89.9 | Confident | 94.1 | Very high | 17 Ų | 17 | 9.5 Ų | 9.5 | 9% | 0.089 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -82.4 | -4 | -171 | -62.2 | -173.7 | 0 | 0 | 0 | 115.1 | L810 K878 N879 D1000 F1006 | L810-L1004 HydrophobicContact CD2-CD2 4.18Å; K878-L1004 HydrophobicContact CB-CD1 4.25Å; K878-L1004 HydrophobicContact CB-CD2 4.33Å; N879-L1004 HydrophobicContact CB-CD2 4.43Å; D1000-L1004 HydrophobicContact CB-CD1 3.61Å; D1000-L1004 HydrophobicContact CB-CG 3.8Å; D1000-L1004 VanDerWaalsContact CG-CD1 3.47Å; D1000-L1004 WeakPolarHBondContact O-CB 3.22Å; D1000-L1004 WeakPolarHBondContact O-CG 3.42Å; D1000-L1004 PolarHBondContact O-N 3.27Å; D1000-L1004 VanDerWaalsContact O-N 3.09Å; D1000-L1004 WeakPolarHBondContact OD2-CD1 3.47Å; L1004-F1006 HydrophobicContact CB-CD1 3.77Å; L1004-F1006 HydrophobicContact CB-CE1 3.42Å; L1004-F1006 VanDerWaalsContact CB-CE1 3.42Å; L1004-F1006 HydrophobicContact CB-CZ 4.05Å; L1004-F1006 HydrophobicContact CD1-CE1 3.52Å; L1004-F1006 HydrophobicContact CD1-CZ 3.51Å; L1004-F1006 HydrophobicContact CG-CE1 4.11Å; L1004-F1006 HydrophobicContact CG-CZ 4.46Å; L1004-F1006 WeakPolarHBondContact O-CD1 3.47Å; L1004-F1006 PolarHBondContact O-N 2.84Å |
| 1005 | G | 85.7 | Confident | 94.1 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 4% | 0.042 | C | C | . | . | S | Bend | trans | 80.6 | -36 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S758 V759 A760 E806 M1003 R1007 | S758-G1005 WeakPolarHBondContact OG-CA 3.45Å; S758-G1005 PolarHBondContact OG-N 3.22Å; S758-G1005 VanDerWaalsContact OG-N 3.13Å; V759-G1005 CarbonylContact C-O 3.48Å; V759-G1005 WeakPolarHBondContact CA-O 3.21Å; A760-G1005 WeakPolarHBondContact CB-O 3.07Å; A760-G1005 PolarHBondContact N-O 3.25Å; E806-G1005 WeakPolarHBondContact O-CA 3.37Å; M1003-G1005 VanDerWaalsContact C-N 3.33Å; M1003-G1005 PolarHBondContact O-N 3.36Å; G1005-R1007 VanDerWaalsContact C-N 3.34Å; G1005-R1007 PolarHBondContact O-N 2.86Å |
| 1006 | F | 84.3 | Confident | 94.1 | Very high | 82 Ų | 82 | 10.5 Ų | 10.5 | 36% | 0.36 | 5% | 0.047 | S | C | . | . | S | Bend | trans | -86.9 | 0.7 | -172.7 | 62.7 | -97.3 | 0 | 0 | 0 | 115 | L805 L1004 | L805-F1006 HydrophobicContact CD1-CB 3.75Å; L805-F1006 VanDerWaalsContact CD1-N 3.26Å; L1004-F1006 HydrophobicContact CB-CD1 3.77Å; L1004-F1006 HydrophobicContact CB-CE1 3.42Å; L1004-F1006 VanDerWaalsContact CB-CE1 3.42Å; L1004-F1006 HydrophobicContact CB-CZ 4.05Å; L1004-F1006 HydrophobicContact CD1-CE1 3.52Å; L1004-F1006 HydrophobicContact CD1-CZ 3.51Å; L1004-F1006 HydrophobicContact CG-CE1 4.11Å; L1004-F1006 HydrophobicContact CG-CZ 4.46Å; L1004-F1006 WeakPolarHBondContact O-CD1 3.47Å; L1004-F1006 PolarHBondContact O-N 2.84Å |
| 1007 | R | 87.7 | Confident | 94.1 | Very high | 10 Ų | 10 | 11.3 Ų | 11.3 | 4% | 0.038 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -111.5 | -112.4 | -175.7 | -61.5 | -176.2 | -171.1 | 176.7 | 16.2 | 110.8 | W450 W762 D1000 R1001 G1005 V1167 T1170 | W450-R1007 HydrophobicContact CD2-CB 3.72Å; W450-R1007 HydrophobicContact CD2-CG 3.92Å; W450-R1007 HydrophobicContact CE3-CB 3.71Å; W450-R1007 HydrophobicContact CE3-CG 3.88Å; W450-R1007 HydrophobicContact CG-CB 4.21Å; W450-R1007 HydrophobicContact CH2-CB 4.46Å; W450-R1007 HydrophobicContact CH2-CG 3.71Å; W450-R1007 HydrophobicContact CZ2-CB 4.45Å; W450-R1007 HydrophobicContact CZ2-CG 3.7Å; W450-R1007 HydrophobicContact CZ3-CB 4.1Å; W450-R1007 HydrophobicContact CZ3-CG 3.79Å; W762-R1007 VanDerWaalsContact CE2-O 3.27Å; W762-R1007 VanDerWaalsContact CZ2-O 3.25Å; W762-R1007 WeakPolarHBondContact CZ2-O 3.46Å; W762-R1007 PolarHBondContact NE1-O 2.98Å; D1000-R1007 VanDerWaalsContact CB-CZ 3.41Å; D1000-R1007 IonicContact OD2-NH2 2.68Å; D1000-R1007 PolarHBondContact OD2-NH2 3.49Å; R1001-R1007 HydrophobicContact CG-CB 4.48Å; R1001-R1007 VanDerWaalsContact O-CB 3.26Å; R1001-R1007 WeakPolarHBondContact O-CB 3.39Å; G1005-R1007 VanDerWaalsContact C-N 3.34Å; G1005-R1007 PolarHBondContact O-N 2.86Å; R1007-V1167 PolarHBondContact NH1-O 2.79Å; R1007-T1170 PolarHBondContact NH1-O 3.3Å; R1007-T1170 PolarHBondContact NH1-OG1 3.43Å |
| 1008 | D | 91.3 | Very high | 94 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.016 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -70.9 | 150.2 | -176.4 | -71.7 | 9.2 | 0 | 0 | 0 | 110.9 | W450 S451 H453 R1001 | W450-D1008 WeakPolarHBondContact CA-OD1 3.35Å; S451-D1008 PolarHBondContact N-OD1 3.29Å; S451-D1008 WeakPolarHBondContact O-CA 3.26Å; S451-D1008 VanDerWaalsContact OG-CG 3.22Å; S451-D1008 PolarHBondContact OG-OD2 3.33Å; H453-D1008 HydrophobicContact CB-CB 4.47Å; R1001-D1008 IonicContact CZ-OD2 2.84Å; R1001-D1008 IonicContact NE-OD1 3.56Å; R1001-D1008 IonicContact NE-OD2 2.89Å; R1001-D1008 PolarHBondContact NE-OD2 2.72Å; R1001-D1008 IonicContact NH2-OD1 2.93Å; R1001-D1008 IonicContact NH2-OD2 3.29Å; R1001-D1008 PolarHBondContact NH2-OD2 3.1Å; R1001-D1008 WeakPolarHBondContact O-CB 3.29Å; R1001-D1008 PolarHBondContact O-N 2.78Å |
| 1009 | S | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | B | Isolated β-bridge | trans | -89.3 | 123.3 | 174.8 | 72.3 | 0 | 0 | 0 | 0 | 110.8 | S451 H452 H453 E454 R696 S758 | S451-S1009 PolarHBondContact O-N 3.15Å; H452-S1009 WeakPolarHBondContact CA-OG 3.25Å; H453-S1009 CarbonylContact C-O 3.54Å; H453-S1009 WeakPolarHBondContact CA-O 3.49Å; H453-S1009 WeakPolarHBondContact CB-O 2.78Å; H453-S1009 PolarHBondContact N-O 3.49Å; E454-S1009 WeakPolarHBondContact CG-O 3.41Å; E454-S1009 PolarHBondContact N-O 3.09Å; E454-S1009 WeakPolarHBondContact OE1-CB 3.38Å; E454-S1009 PolarHBondContact OE1-OG 3.43Å; R696-S1009 PolarHBondContact NH1-OG 3.42Å; S758-S1009 CarbonylContact O-C 3.55Å; S758-S1009 VanDerWaalsContact O-CA 3.27Å; S758-S1009 WeakPolarHBondContact O-CA 3.26Å |
| 1010 | E | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 153.5 | -176.6 | -52.1 | -65.5 | 174.7 | 0 | 0 | 112 | H453 R757 S758 S995 A996 S1002 | H453-E1010 IonicContact CG-OE1 2.69Å; H453-E1010 IonicContact CG-OE2 3.47Å; H453-E1010 IonicContact ND1-OE1 3.98Å; H453-E1010 IonicContact ND1-OE2 2.78Å; H453-E1010 PolarHBondContact ND1-OE2 3.34Å; R757-E1010 VanDerWaalsContact CA-O 3.22Å; R757-E1010 WeakPolarHBondContact CA-O 3.46Å; R757-E1010 WeakPolarHBondContact CB-O 3.33Å; S758-E1010 PolarHBondContact N-O 2.76Å; S758-E1010 PolarHBondContact O-N 3.43Å; S995-E1010 VanDerWaalsContact CB-OE2 3.27Å; S995-E1010 WeakPolarHBondContact CB-OE2 3.34Å; S995-E1010 VanDerWaalsContact O-OE2 3.11Å; S995-E1010 WeakPolarHBondContact OG-CA 3.45Å; S995-E1010 PolarHBondContact OG-OE2 3.15Å; A996-E1010 HydrophobicContact CB-CB 4.04Å; A996-E1010 HydrophobicContact CB-CG 3.91Å; S1002-E1010 VanDerWaalsContact CB-OE1 3.29Å; S1002-E1010 WeakPolarHBondContact CB-OE1 3.47Å; S1002-E1010 PolarHBondContact OG-OE1 2.73Å |
| 1011 | L | 97.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 146.8 | 168.5 | -74.1 | 177.1 | 0 | 0 | 0 | 110.2 | E454 M456 L466 I689 R757 G994 S995 | E454-L1011 HydrophobicContact CB-CD1 4.03Å; E454-L1011 HydrophobicContact CB-CG 4.14Å; E454-L1011 HydrophobicContact CG-CD1 4.2Å; E454-L1011 HydrophobicContact CG-CG 3.85Å; M456-L1011 HydrophobicContact CE-CD1 4.17Å; M456-L1011 HydrophobicContact CG-CD1 4.22Å; L466-L1011 HydrophobicContact CD1-CB 4.08Å; I689-L1011 HydrophobicContact CD1-CD2 4.46Å; I689-L1011 HydrophobicContact CG2-CD1 4.4Å; R757-L1011 HydrophobicContact CB-CD2 3.95Å; G994-L1011 CarbonylContact C-O 3.54Å; G994-L1011 VanDerWaalsContact CA-O 3.23Å; G994-L1011 WeakPolarHBondContact CA-O 3.33Å; S995-L1011 PolarHBondContact N-O 2.99Å; S995-L1011 PolarHBondContact OG-N 3.32Å; S995-L1011 VanDerWaalsContact OG-N 3.07Å; S995-L1011 PolarHBondContact OG-O 3.44Å |
| 1012 | G | 98.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 171.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L756 L993 | L756-G1012 PolarHBondContact N-O 2.71Å; L756-G1012 PolarHBondContact O-N 3.28Å; L756-G1012 VanDerWaalsContact O-O 3.11Å; L993-G1012 CarbonylContact O-C 3.54Å; L993-G1012 WeakPolarHBondContact O-CA 3.45Å |
| 1013 | I | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 150.9 | 170.9 | 61.8 | 171.4 | 0 | 0 | 0 | 110 | I346 L466 C679 F681 V753 Q754 I992 L993 I1015 | I346-I1013 HydrophobicContact CD1-CD1 3.66Å; L466-I1013 HydrophobicContact CD1-CG2 4.18Å; L466-I1013 HydrophobicContact CD2-CG1 4.36Å; L466-I1013 HydrophobicContact CD2-CG2 4.38Å; C679-I1013 VanDerWaalsContact SG-CD1 3.53Å; F681-I1013 HydrophobicContact CD1-CD1 4.16Å; F681-I1013 HydrophobicContact CE1-CD1 3.91Å; F681-I1013 HydrophobicContact CE1-CG2 4.18Å; F681-I1013 HydrophobicContact CZ-CG2 3.95Å; V753-I1013 HydrophobicContact CG1-CB 4.05Å; V753-I1013 HydrophobicContact CG1-CD1 4.22Å; V753-I1013 HydrophobicContact CG1-CG2 4.13Å; Q754-I1013 VanDerWaalsContact O-CA 3.28Å; Q754-I1013 WeakPolarHBondContact O-CA 3.23Å; I992-I1013 WeakPolarHBondContact CA-O 3.46Å; I992-I1013 WeakPolarHBondContact CG1-O 3.15Å; L993-I1013 HydrophobicContact CD2-CD1 4.05Å; L993-I1013 HydrophobicContact CD2-CG1 3.87Å; L993-I1013 HydrophobicContact CG-CD1 4.44Å; L993-I1013 HydrophobicContact CG-CG1 3.99Å; L993-I1013 PolarHBondContact N-O 3.2Å; L993-I1013 PolarHBondContact O-N 3.16Å; I1013-I1015 HydrophobicContact CD1-CD1 3.9Å; I1013-I1015 HydrophobicContact CD1-CG1 3.99Å; I1013-I1015 HydrophobicContact CG1-CD1 4.45Å; I1013-I1015 HydrophobicContact CG1-CG1 4.4Å |
| 1014 | I | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 141.2 | 162.6 | -174.7 | 173.5 | 0 | 0 | 0 | 109 | F334 V753 Q754 L756 M816 M991 | F334-I1014 HydrophobicContact CE2-CD1 3.97Å; F334-I1014 HydrophobicContact CE2-CG2 4.27Å; F334-I1014 HydrophobicContact CZ-CD1 4.12Å; V753-I1014 WeakPolarHBondContact CA-O 3.18Å; Q754-I1014 HydrophobicContact CB-CG2 3.61Å; Q754-I1014 PolarHBondContact N-O 2.77Å; Q754-I1014 PolarHBondContact O-N 3.35Å; L756-I1014 HydrophobicContact CD1-CB 4.22Å; L756-I1014 HydrophobicContact CD1-CG2 4.32Å; M816-I1014 HydrophobicContact CG-CD1 4.11Å; M816-I1014 HydrophobicContact SD-CD1 3.53Å; M816-I1014 VanDerWaalsContact SD-CD1 3.53Å; M816-I1014 HydrophobicContact SD-CG1 4.06Å; M991-I1014 CarbonylContact O-C 3.56Å; M991-I1014 WeakPolarHBondContact O-CA 3.46Å |
| 1015 | I | 98.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 131.5 | -178.2 | -58.2 | 158.8 | 0 | 0 | 0 | 108 | I346 M348 C751 T752 V753 K990 M991 L993 I1013 | I346-I1015 HydrophobicContact CD1-CD1 3.47Å; I346-I1015 VanDerWaalsContact CD1-CD1 3.47Å; I346-I1015 HydrophobicContact CD1-CG1 3.84Å; M348-I1015 HydrophobicContact SD-CD1 3.98Å; C751-I1015 HydrophobicContact CB-CG2 3.83Å; T752-I1015 WeakPolarHBondContact O-CA 3.45Å; V753-I1015 HydrophobicContact CG2-CG1 4.29Å; K990-I1015 WeakPolarHBondContact CA-O 3.46Å; M991-I1015 HydrophobicContact CE-CD1 3.38Å; M991-I1015 PolarHBondContact N-O 3.05Å; M991-I1015 PolarHBondContact O-N 2.77Å; L993-I1015 HydrophobicContact CD2-CD1 3.55Å; I1013-I1015 HydrophobicContact CD1-CD1 3.9Å; I1013-I1015 HydrophobicContact CD1-CG1 3.99Å; I1013-I1015 HydrophobicContact CG1-CD1 4.45Å; I1013-I1015 HydrophobicContact CG1-CG1 4.4Å |
| 1016 | E | 97.4 | Very high | 94.2 | Very high | 28 Ų | 28 | 41.1 Ų | 41.1 | 13% | 0.131 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 177.8 | 178.8 | 67.8 | -163.1 | 152.6 | 0 | 0 | 110.4 | R333 C751 T752 K990 | R333-E1016 IonicContact CZ-OE1 3.18Å; R333-E1016 IonicContact CZ-OE2 2.71Å; R333-E1016 IonicContact NH1-OE1 3.5Å; R333-E1016 PolarHBondContact NH1-OE1 3.1Å; R333-E1016 IonicContact NH1-OE2 3.75Å; R333-E1016 PolarHBondContact NH1-OE2 3.34Å; R333-E1016 IonicContact NH2-OE1 3.73Å; R333-E1016 PolarHBondContact NH2-OE1 3.02Å; R333-E1016 IonicContact NH2-OE2 3.18Å; C751-E1016 WeakPolarHBondContact CB-O 2.94Å; T752-E1016 HydrophobicContact CG2-CG 3.98Å; T752-E1016 PolarHBondContact N-O 3.45Å; T752-E1016 PolarHBondContact O-N 3.35Å; K990-E1016 HydrophobicContact CG-CB 4.2Å |
| 1017 | S | 96.1 | Very high | 94.5 | Very high | 20 Ų | 20 | 42.5 Ų | 42.5 | 14% | 0.14 | 22% | 0.223 | C | C | . | . | trans | -65.7 | 153.2 | 179 | -155.5 | 0 | 0 | 0 | 0 | 113.4 | T752 S1019 D1022 | T752-S1017 WeakPolarHBondContact CB-O 3.39Å; T752-S1017 PolarHBondContact OG1-O 2.85Å; S1017-S1019 WeakPolarHBondContact CB-O 3.19Å; S1017-S1019 PolarHBondContact OG-N 3.21Å; S1017-S1019 PolarHBondContact OG-O 2.96Å; S1017-D1022 WeakPolarHBondContact OG-CB 3.22Å | ||
| 1018 | N | 95.2 | Very high | 94.9 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 26% | 0.257 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -75 | -37.5 | 166.4 | -66.5 | -55.2 | 0 | 0 | 0 | 110.9 | S342 D343 V750 C751 T752 D1022 | S342-N1018 VanDerWaalsContact CA-OD1 3.25Å; S342-N1018 WeakPolarHBondContact CA-OD1 3.33Å; S342-N1018 WeakPolarHBondContact CB-OD1 3.43Å; D343-N1018 PolarHBondContact N-OD1 2.95Å; V750-N1018 PolarHBondContact O-ND2 3.46Å; C751-N1018 VanDerWaalsContact C-OD1 3.26Å; C751-N1018 PolarHBondContact O-OD1 2.98Å; T752-N1018 PolarHBondContact N-OD1 3.41Å; T752-N1018 WeakPolarHBondContact OG1-CA 3.45Å; T752-N1018 PolarHBondContact OG1-OD1 3.24Å; T752-N1018 VanDerWaalsContact OG1-OD1 3.14Å; N1018-D1022 WeakPolarHBondContact CB-OD2 3.3Å |
| 1019 | S | 93.3 | Very high | 94.7 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 32% | 0.315 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -148 | 163.1 | 179.1 | 71.8 | 0 | 0 | 0 | 0 | 111.9 | S1017 N1021 D1022 | S1017-S1019 WeakPolarHBondContact CB-O 3.19Å; S1017-S1019 PolarHBondContact OG-N 3.21Å; S1017-S1019 PolarHBondContact OG-O 2.96Å; S1019-N1021 PolarHBondContact O-N 3.43Å; S1019-N1021 VanDerWaalsContact O-N 3.15Å; S1019-N1021 PolarHBondContact OG-N 3.05Å; S1019-D1022 PolarHBondContact N-OD2 3.04Å; S1019-D1022 PolarHBondContact O-N 3.31Å; S1019-D1022 PolarHBondContact OG-OD2 2.99Å |
| 1020 | D | 90.4 | Very high | 94.3 | Very high | 115 Ų | 115 | 49.5 Ų | 49.5 | 62% | 0.615 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.6 | 173.4 | -69.5 | -25 | 0 | 0 | 0 | 113.4 | ||
| 1021 | N | 91.1 | Very high | 94 | Very high | 149 Ų | 149 | 53.2 Ų | 53.2 | 80% | 0.797 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -20.6 | 177 | -65.8 | -21.1 | 0 | 0 | 0 | 112.8 | S1019 | S1019-N1021 PolarHBondContact O-N 3.43Å; S1019-N1021 VanDerWaalsContact O-N 3.15Å; S1019-N1021 PolarHBondContact OG-N 3.05Å |
| 1022 | D | 92.4 | Very high | 93.8 | Very high | 71 Ų | 71 | 58 Ų | 58 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -82.5 | -6.4 | 176.4 | -45.3 | -61 | 0 | 0 | 0 | 112.1 | S1017 N1018 S1019 P1037 | S1017-D1022 WeakPolarHBondContact OG-CB 3.22Å; N1018-D1022 WeakPolarHBondContact CB-OD2 3.3Å; S1019-D1022 PolarHBondContact N-OD2 3.04Å; S1019-D1022 PolarHBondContact O-N 3.31Å; S1019-D1022 PolarHBondContact OG-OD2 2.99Å; D1022-P1037 WeakPolarHBondContact O-CD 3.2Å |
| 1023 | L | 96.3 | Very high | 93.7 | Very high | 28 Ų | 28 | 58.5 Ų | 58.5 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -83 | 140.7 | 176.6 | -55.5 | 178.5 | 0 | 0 | 0 | 110.3 | K1034 V1035 H1036 | L1023-K1034 HydrophobicContact CB-CB 3.97Å; L1023-K1034 HydrophobicContact CB-CD 4.36Å; L1023-K1034 HydrophobicContact CD1-CB 3.86Å; L1023-K1034 HydrophobicContact CD1-CD 4.24Å; L1023-V1035 WeakPolarHBondContact CA-O 3.4Å; L1023-H1036 HydrophobicContact CD2-CB 3.9Å |
| 1024 | I | 95.6 | Very high | 93.5 | Very high | 76 Ų | 76 | 63.5 Ų | 63.5 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 159.6 | 174.5 | 62.1 | 167.4 | 0 | 0 | 0 | 110.3 | K1034 V1035 P1037 | I1024-K1034 WeakPolarHBondContact O-CA 3.45Å; I1024-V1035 HydrophobicContact CD1-CG2 4.32Å; I1024-V1035 HydrophobicContact CG1-CG2 3.74Å; I1024-V1035 PolarHBondContact N-O 3.01Å; I1024-V1035 PolarHBondContact O-N 2.97Å; I1024-P1037 HydrophobicContact CD1-CB 3.94Å; I1024-P1037 HydrophobicContact CG1-CB 4.27Å; I1024-P1037 HydrophobicContact CG2-CG 4.38Å |
| 1025 | E | 94.6 | Very high | 93.5 | Very high | 171 Ų | 171 | 63.5 Ų | 63.5 | 80% | 0.799 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 131.1 | 170.3 | -66.5 | -171.4 | 168.4 | 0 | 0 | 110.4 | V1033 | E1025-V1033 WeakPolarHBondContact CA-O 3.25Å |
| 1026 | G | 91.4 | Very high | 93.4 | Very high | 15 Ų | 15 | 63.8 Ų | 63.8 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 177.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110 | V1033 | G1026-V1033 PolarHBondContact N-O 3.38Å; G1026-V1033 WeakPolarHBondContact O-CG2 3.45Å; G1026-V1033 PolarHBondContact O-N 2.92Å |
| 1027 | K | 91.2 | Very high | 93.3 | Very high | 111 Ų | 111 | 64.6 Ų | 64.6 | 48% | 0.483 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 124 | -179 | -172.1 | 179.8 | 175.8 | -171.1 | 0 | 109.4 | N1030 T1031 | K1027-N1030 VanDerWaalsContact CE-CA 3.43Å; K1027-N1030 WeakPolarHBondContact CE-OD1 3.43Å; K1027-N1030 PolarHBondContact NZ-OD1 3.35Å; K1027-T1031 WeakPolarHBondContact CA-O 3.48Å |
| 1028 | F | 94.6 | Very high | 93.2 | Very high | 3 Ų | 3 | 64 Ų | 64 | 1% | 0.013 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 113.5 | 175.5 | -69.6 | -24.2 | 0 | 0 | 0 | 108.8 | N822 F823 D988 N1030 T1031 V1033 V1035 D1071 P1073 V1074 | N822-F1028 HydrophobicContact CB-CB 4.24Å; N822-F1028 HydrophobicContact CB-CD2 3.7Å; N822-F1028 HydrophobicContact CB-CG 4.31Å; F823-F1028 HydrophobicContact CD1-CE2 4.18Å; F823-F1028 HydrophobicContact CD1-CZ 4.33Å; F823-F1028 HydrophobicContact CE1-CE1 4.23Å; F823-F1028 AromaticContact CE1-CE2 3.75Å; F823-F1028 HydrophobicContact CE1-CE2 3.75Å; F823-F1028 AromaticContact CE1-CZ 3.61Å; F823-F1028 HydrophobicContact CE1-CZ 3.61Å; D988-F1028 HydrophobicContact CB-CZ 4.22Å; F1028-N1030 VanDerWaalsContact C-N 3.31Å; F1028-N1030 PolarHBondContact O-N 2.93Å; F1028-T1031 PolarHBondContact N-O 3.04Å; F1028-T1031 WeakPolarHBondContact O-CB 3.45Å; F1028-T1031 PolarHBondContact O-N 3.33Å; F1028-V1033 HydrophobicContact CB-CG1 4.33Å; F1028-V1033 HydrophobicContact CB-CG2 4.31Å; F1028-V1033 HydrophobicContact CD1-CG2 4.42Å; F1028-V1033 HydrophobicContact CD2-CB 4.17Å; F1028-V1033 HydrophobicContact CD2-CG1 3.99Å; F1028-V1033 HydrophobicContact CD2-CG2 3.49Å; F1028-V1033 VanDerWaalsContact CD2-CG2 3.49Å; F1028-V1033 HydrophobicContact CE2-CG2 3.76Å; F1028-V1033 HydrophobicContact CG-CG1 4.49Å; F1028-V1033 HydrophobicContact CG-CG2 3.83Å; F1028-V1033 HydrophobicContact CZ-CG2 4.32Å; F1028-V1035 HydrophobicContact CE2-CG1 3.82Å; F1028-V1035 HydrophobicContact CZ-CG1 3.64Å; F1028-D1071 WeakPolarHBondContact CE1-O 3.42Å; F1028-P1073 HydrophobicContact CE1-CG 4.24Å; F1028-V1074 HydrophobicContact CB-CG2 3.59Å; F1028-V1074 HydrophobicContact CG-CG2 4.34Å |
| 1029 | G | 87.9 | Confident | 93.3 | Very high | 24 Ų | 24 | 61.8 Ų | 61.8 | 25% | 0.247 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | T1031 D1072 V1074 | G1029-T1031 PolarHBondContact O-N 3.1Å; G1029-D1072 PolarHBondContact N-OD1 3.37Å; G1029-D1072 PolarHBondContact N-OD2 3.24Å; G1029-V1074 VanDerWaalsContact N-CG2 3.29Å |
| 1030 | N | 85.6 | Confident | 93.5 | Very high | 132 Ų | 132 | 60.4 Ų | 60.4 | 71% | 0.706 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 1 | -170.8 | -62 | -46.1 | 0 | 0 | 0 | 117.6 | K1027 F1028 | K1027-N1030 VanDerWaalsContact CE-CA 3.43Å; K1027-N1030 WeakPolarHBondContact CE-OD1 3.43Å; K1027-N1030 PolarHBondContact NZ-OD1 3.35Å; F1028-N1030 VanDerWaalsContact C-N 3.31Å; F1028-N1030 PolarHBondContact O-N 2.93Å |
| 1031 | T | 90.7 | Very high | 93.6 | Very high | 79 Ų | 79 | 60 Ų | 60 | 49% | 0.485 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 127.5 | 175 | -54.1 | 0 | 0 | 0 | 0 | 110.2 | K1027 F1028 G1029 V1033 | K1027-T1031 WeakPolarHBondContact CA-O 3.48Å; F1028-T1031 PolarHBondContact N-O 3.04Å; F1028-T1031 WeakPolarHBondContact O-CB 3.45Å; F1028-T1031 PolarHBondContact O-N 3.33Å; G1029-T1031 PolarHBondContact O-N 3.1Å; T1031-V1033 HydrophobicContact CG2-CG1 4.38Å; T1031-V1033 PolarHBondContact O-N 3.42Å |
| 1032 | S | 93.4 | Very high | 93.8 | Very high | 100 Ų | 100 | 53.3 Ų | 53.3 | 70% | 0.699 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 127.4 | 170.1 | -62.1 | 0 | 0 | 0 | 0 | 109.9 | ||
| 1033 | V | 94.6 | Very high | 94 | Very high | 14 Ų | 14 | 50 Ų | 50 | 9% | 0.085 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 157 | -177.1 | -67.6 | 0 | 0 | 0 | 0 | 110.3 | E1025 G1026 F1028 T1031 V1035 | E1025-V1033 WeakPolarHBondContact CA-O 3.25Å; G1026-V1033 PolarHBondContact N-O 3.38Å; G1026-V1033 WeakPolarHBondContact O-CG2 3.45Å; G1026-V1033 PolarHBondContact O-N 2.92Å; F1028-V1033 HydrophobicContact CB-CG1 4.33Å; F1028-V1033 HydrophobicContact CB-CG2 4.31Å; F1028-V1033 HydrophobicContact CD1-CG2 4.42Å; F1028-V1033 HydrophobicContact CD2-CB 4.17Å; F1028-V1033 HydrophobicContact CD2-CG1 3.99Å; F1028-V1033 HydrophobicContact CD2-CG2 3.49Å; F1028-V1033 VanDerWaalsContact CD2-CG2 3.49Å; F1028-V1033 HydrophobicContact CE2-CG2 3.76Å; F1028-V1033 HydrophobicContact CG-CG1 4.49Å; F1028-V1033 HydrophobicContact CG-CG2 3.83Å; F1028-V1033 HydrophobicContact CZ-CG2 4.32Å; T1031-V1033 HydrophobicContact CG2-CG1 4.38Å; T1031-V1033 PolarHBondContact O-N 3.42Å; V1033-V1035 HydrophobicContact CG2-CG1 3.84Å |
| 1034 | K | 96.1 | Very high | 93.9 | Very high | 104 Ų | 104 | 51.4 Ų | 51.4 | 45% | 0.452 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.3 | 168.1 | -71.2 | -168.7 | 174.8 | -168.6 | 0 | 109.7 | K989 L1023 I1024 | K989-K1034 WeakPolarHBondContact CE-O 3.42Å; K989-K1034 VanDerWaalsContact CG-O 3.32Å; K989-K1034 WeakPolarHBondContact CG-O 3.46Å; L1023-K1034 HydrophobicContact CB-CB 3.97Å; L1023-K1034 HydrophobicContact CB-CD 4.36Å; L1023-K1034 HydrophobicContact CD1-CB 3.86Å; L1023-K1034 HydrophobicContact CD1-CD 4.24Å; I1024-K1034 WeakPolarHBondContact O-CA 3.45Å |
| 1035 | V | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152 | -179.2 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | D988 L1023 I1024 F1028 V1033 | D988-V1035 HydrophobicContact CB-CB 3.94Å; D988-V1035 HydrophobicContact CB-CG1 4.02Å; L1023-V1035 WeakPolarHBondContact CA-O 3.4Å; I1024-V1035 HydrophobicContact CD1-CG2 4.32Å; I1024-V1035 HydrophobicContact CG1-CG2 3.74Å; I1024-V1035 PolarHBondContact N-O 3.01Å; I1024-V1035 PolarHBondContact O-N 2.97Å; F1028-V1035 HydrophobicContact CE2-CG1 3.82Å; F1028-V1035 HydrophobicContact CZ-CG1 3.64Å; V1033-V1035 HydrophobicContact CG2-CG1 3.84Å |
| 1036 | H | 96.9 | Very high | 93.9 | Very high | 7 Ų | 7 | 41.6 Ų | 41.6 | 3% | 0.032 | 22% | 0.224 | C | C | . | . | trans | -85.7 | 117.7 | 174.7 | -170.4 | -60.2 | 0 | 0 | 0 | 109.2 | C751 D988 L1023 F1038 I1039 Q1040 | C751-H1036 VanDerWaalsContact SG-CE1 3.52Å; C751-H1036 PolarHBondContact SG-NE2 3.15Å; D988-H1036 WeakPolarHBondContact O-CA 3.3Å; D988-H1036 VanDerWaalsContact O-CB 3.31Å; D988-H1036 WeakPolarHBondContact O-CB 3.48Å; D988-H1036 PolarHBondContact O-N 2.81Å; L1023-H1036 HydrophobicContact CD2-CB 3.9Å; H1036-F1038 VanDerWaalsContact C-N 3.29Å; H1036-F1038 VanDerWaalsContact CE1-CB 3.45Å; H1036-F1038 WeakPolarHBondContact CE1-CB 3.31Å; H1036-F1038 WeakPolarHBondContact ND1-CB 3.4Å; H1036-F1038 PolarHBondContact ND1-N 2.92Å; H1036-F1038 PolarHBondContact O-N 3.11Å; H1036-F1038 VanDerWaalsContact O-N 3.16Å; H1036-I1039 HydrophobicContact CB-CB 4.22Å; H1036-I1039 HydrophobicContact CB-CD1 3.99Å; H1036-I1039 HydrophobicContact CB-CG1 4.13Å; H1036-I1039 PolarHBondContact O-N 2.85Å; H1036-Q1040 PolarHBondContact O-N 2.72Å | ||
| 1037 | P | 94.9 | Very high | 94.1 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 29% | 0.292 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.8 | -36.1 | -170.4 | 21 | -32.5 | 0 | 0 | 0 | 113.6 | D1022 I1024 R1041 | D1022-P1037 WeakPolarHBondContact O-CD 3.2Å; I1024-P1037 HydrophobicContact CD1-CB 3.94Å; I1024-P1037 HydrophobicContact CG1-CB 4.27Å; I1024-P1037 HydrophobicContact CG2-CG 4.38Å; P1037-R1041 VanDerWaalsContact O-CB 3.25Å; P1037-R1041 WeakPolarHBondContact O-CB 3.4Å; P1037-R1041 PolarHBondContact O-N 3.15Å |
| 1038 | F | 95.6 | Very high | 94.3 | Very high | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.3 | -43.3 | 174.5 | 175.2 | -114.9 | 0 | 0 | 0 | 113.8 | I346 M348 Q747 A749 H1036 F1042 | I346-F1038 HydrophobicContact CG2-CE1 3.86Å; I346-F1038 HydrophobicContact CG2-CZ 4.07Å; M348-F1038 HydrophobicContact CB-CZ 4.39Å; M348-F1038 HydrophobicContact CG-CE1 4.02Å; M348-F1038 HydrophobicContact CG-CE2 4.44Å; M348-F1038 HydrophobicContact CG-CZ 3.61Å; Q747-F1038 WeakPolarHBondContact O-CE2 3.34Å; A749-F1038 HydrophobicContact CB-CB 3.62Å; A749-F1038 HydrophobicContact CB-CD1 4Å; A749-F1038 HydrophobicContact CB-CD2 3.45Å; A749-F1038 VanDerWaalsContact CB-CD2 3.45Å; A749-F1038 HydrophobicContact CB-CE1 4.49Å; A749-F1038 HydrophobicContact CB-CE2 4Å; A749-F1038 HydrophobicContact CB-CG 3.43Å; A749-F1038 VanDerWaalsContact CB-CG 3.43Å; A749-F1038 HydrophobicContact CB-CZ 4.46Å; H1036-F1038 VanDerWaalsContact C-N 3.29Å; H1036-F1038 VanDerWaalsContact CE1-CB 3.45Å; H1036-F1038 WeakPolarHBondContact CE1-CB 3.31Å; H1036-F1038 WeakPolarHBondContact ND1-CB 3.4Å; H1036-F1038 PolarHBondContact ND1-N 2.92Å; H1036-F1038 PolarHBondContact O-N 3.11Å; H1036-F1038 VanDerWaalsContact O-N 3.16Å; F1038-F1042 PolarHBondContact O-N 2.88Å |
| 1039 | I | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73 | -43.8 | -177.5 | -61.6 | 177.1 | 0 | 0 | 0 | 109.3 | I985 K989 M991 H1036 R1041 F1042 R1043 | I985-I1039 HydrophobicContact CG2-CG2 3.6Å; K989-I1039 WeakPolarHBondContact O-CD1 3.49Å; M991-I1039 HydrophobicContact CB-CD1 4.21Å; M991-I1039 HydrophobicContact CB-CG1 4.44Å; M991-I1039 HydrophobicContact CB-CG2 4.2Å; H1036-I1039 HydrophobicContact CB-CB 4.22Å; H1036-I1039 HydrophobicContact CB-CD1 3.99Å; H1036-I1039 HydrophobicContact CB-CG1 4.13Å; H1036-I1039 PolarHBondContact O-N 2.85Å; I1039-R1041 VanDerWaalsContact C-N 3.34Å; I1039-R1041 PolarHBondContact O-N 3.13Å; I1039-F1042 WeakPolarHBondContact O-CB 3.28Å; I1039-F1042 PolarHBondContact O-N 3.41Å; I1039-F1042 VanDerWaalsContact O-N 3.1Å; I1039-R1043 PolarHBondContact O-N 3.03Å |
| 1040 | Q | 95.6 | Very high | 94.6 | Very high | 17 Ų | 17 | 34.6 Ų | 34.6 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55 | -49.4 | 172.2 | -173.9 | -170.7 | 51 | 0 | 0 | 111.3 | D988 H1036 F1042 R1043 R1044 | D988-Q1040 HydrophobicContact CB-CB 3.95Å; D988-Q1040 HydrophobicContact CB-CG 4.49Å; D988-Q1040 VanDerWaalsContact CG-CA 3.49Å; D988-Q1040 WeakPolarHBondContact OD2-CG 3.47Å; H1036-Q1040 PolarHBondContact O-N 2.72Å; Q1040-F1042 VanDerWaalsContact C-N 3.27Å; Q1040-F1042 PolarHBondContact O-N 2.82Å; Q1040-R1043 PolarHBondContact O-N 3Å; Q1040-R1044 HydrophobicContact CG-CG 4.44Å; Q1040-R1044 WeakPolarHBondContact O-CB 3.37Å; Q1040-R1044 WeakPolarHBondContact O-CG 3.48Å; Q1040-R1044 PolarHBondContact O-N 3.32Å |
| 1041 | R | 93.5 | Very high | 95.1 | Very high | 105 Ų | 105 | 28.8 Ų | 28.8 | 40% | 0.396 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -58.2 | -40.2 | 176.5 | 178.5 | 175 | 65.7 | -137.1 | 14.6 | 112.3 | Q747 P1037 I1039 S1045 | Q747-R1041 PolarHBondContact O-NH2 2.65Å; P1037-R1041 VanDerWaalsContact O-CB 3.25Å; P1037-R1041 WeakPolarHBondContact O-CB 3.4Å; P1037-R1041 PolarHBondContact O-N 3.15Å; I1039-R1041 VanDerWaalsContact C-N 3.34Å; I1039-R1041 PolarHBondContact O-N 3.13Å; R1041-S1045 WeakPolarHBondContact O-CB 3.25Å; R1041-S1045 PolarHBondContact O-N 2.77Å; R1041-S1045 PolarHBondContact O-OG 3.21Å |
| 1042 | F | 95.6 | Very high | 95.1 | Very high | 10 Ų | 10 | 26.9 Ų | 26.9 | 4% | 0.044 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.7 | -50 | 178.5 | 179.1 | -107.1 | 0 | 0 | 0 | 111.8 | M348 I350 V677 V983 I985 M991 F1038 I1039 Q1040 R1044 S1045 L1046 | M348-F1042 HydrophobicContact CB-CD2 3.45Å; M348-F1042 VanDerWaalsContact CB-CD2 3.45Å; M348-F1042 HydrophobicContact CB-CE2 3.53Å; M348-F1042 HydrophobicContact CB-CG 4.25Å; M348-F1042 HydrophobicContact CB-CZ 4.4Å; M348-F1042 HydrophobicContact CE-CE1 4.2Å; M348-F1042 HydrophobicContact CE-CE2 4.07Å; M348-F1042 HydrophobicContact CE-CZ 3.83Å; M348-F1042 HydrophobicContact CG-CD2 3.84Å; M348-F1042 HydrophobicContact CG-CE2 4.07Å; M348-F1042 HydrophobicContact CG-CG 4.15Å; I350-F1042 HydrophobicContact CD1-CD2 4.18Å; I350-F1042 HydrophobicContact CD1-CE2 3.94Å; I350-F1042 HydrophobicContact CG1-CD2 4.15Å; I350-F1042 HydrophobicContact CG1-CE2 3.49Å; I350-F1042 VanDerWaalsContact CG1-CE2 3.49Å; I350-F1042 HydrophobicContact CG1-CZ 4.28Å; V677-F1042 HydrophobicContact CG1-CE2 4.48Å; V677-F1042 HydrophobicContact CG1-CZ 3.72Å; V677-F1042 HydrophobicContact CG2-CZ 4.09Å; V983-F1042 HydrophobicContact CG2-CE1 4.18Å; I985-F1042 HydrophobicContact CD1-CD1 3.76Å; I985-F1042 HydrophobicContact CD1-CE1 4.09Å; M991-F1042 HydrophobicContact CE-CD1 4.19Å; M991-F1042 HydrophobicContact SD-CD1 3.32Å; M991-F1042 WeakPolarHBondContact SD-CD1 3.39Å; M991-F1042 HydrophobicContact SD-CE1 3.48Å; M991-F1042 WeakPolarHBondContact SD-CE1 3.19Å; M991-F1042 HydrophobicContact SD-CG 4.28Å; F1038-F1042 PolarHBondContact O-N 2.88Å; I1039-F1042 WeakPolarHBondContact O-CB 3.28Å; I1039-F1042 PolarHBondContact O-N 3.41Å; I1039-F1042 VanDerWaalsContact O-N 3.1Å; Q1040-F1042 VanDerWaalsContact C-N 3.27Å; Q1040-F1042 PolarHBondContact O-N 2.82Å; F1042-R1044 VanDerWaalsContact C-N 3.33Å; F1042-R1044 PolarHBondContact O-N 3.08Å; F1042-S1045 WeakPolarHBondContact O-CB 3.43Å; F1042-S1045 PolarHBondContact O-N 2.9Å; F1042-L1046 HydrophobicContact CD1-CD1 4.1Å; F1042-L1046 HydrophobicContact CE1-CD1 3.53Å; F1042-L1046 HydrophobicContact CE1-CG 4.25Å; F1042-L1046 HydrophobicContact CE2-CG 4.48Å; F1042-L1046 HydrophobicContact CZ-CD1 3.8Å; F1042-L1046 HydrophobicContact CZ-CD2 4.22Å; F1042-L1046 HydrophobicContact CZ-CG 4.12Å; F1042-L1046 PolarHBondContact O-N 2.75Å |
| 1043 | R | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.5 | -47.2 | 173.9 | -178.2 | -166.4 | 55.4 | 72.7 | -1.1 | 111.7 | I985 D988 I1039 Q1040 S1045 L1046 M1047 L1070 | I985-R1043 HydrophobicContact CD1-CB 3.78Å; I985-R1043 HydrophobicContact CD1-CG 4.33Å; D988-R1043 WeakPolarHBondContact OD1-CB 3.49Å; D988-R1043 WeakPolarHBondContact OD1-CD 3.45Å; D988-R1043 IonicContact OD1-NE 3.44Å; D988-R1043 PolarHBondContact OD1-NE 3.04Å; D988-R1043 IonicContact OD2-CZ 3.86Å; D988-R1043 IonicContact OD2-NE 3.64Å; D988-R1043 PolarHBondContact OD2-NE 2.94Å; D988-R1043 IonicContact OD2-NH2 3.61Å; D988-R1043 PolarHBondContact OD2-NH2 3.03Å; I1039-R1043 PolarHBondContact O-N 3.03Å; Q1040-R1043 PolarHBondContact O-N 3Å; R1043-S1045 PolarHBondContact O-N 2.82Å; R1043-L1046 PolarHBondContact O-N 3.5Å; R1043-M1047 HydrophobicContact CG-CE 4.19Å; R1043-M1047 HydrophobicContact CG-CG 4.45Å; R1043-M1047 HydrophobicContact CG-SD 4.06Å; R1043-M1047 PolarHBondContact NH1-SD 3.47Å; R1043-M1047 WeakPolarHBondContact O-CG 3.33Å; R1043-M1047 PolarHBondContact O-N 3.28Å; R1043-L1070 VanDerWaalsContact CZ-O 3.26Å; R1043-L1070 PolarHBondContact NH1-O 3.33Å; R1043-L1070 PolarHBondContact NH2-O 2.98Å |
| 1044 | R | 94.4 | Very high | 94.3 | Very high | 59 Ų | 59 | 25.2 Ų | 25.2 | 22% | 0.223 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.4 | -37.4 | 177.2 | -71.7 | 171.4 | 62.9 | 179 | 6.6 | 111.9 | Q1040 F1042 A1048 H1067 L1070 D1071 | Q1040-R1044 HydrophobicContact CG-CG 4.44Å; Q1040-R1044 WeakPolarHBondContact O-CB 3.37Å; Q1040-R1044 WeakPolarHBondContact O-CG 3.48Å; Q1040-R1044 PolarHBondContact O-N 3.32Å; F1042-R1044 VanDerWaalsContact C-N 3.33Å; F1042-R1044 PolarHBondContact O-N 3.08Å; R1044-A1048 WeakPolarHBondContact O-CB 3.48Å; R1044-A1048 PolarHBondContact O-N 3.47Å; R1044-H1067 PolarHBondContact NH2-O 3.04Å; R1044-L1070 HydrophobicContact CB-CB 4.33Å; R1044-L1070 HydrophobicContact CG-CB 3.93Å; R1044-D1071 VanDerWaalsContact CD-OD1 3.3Å; R1044-D1071 WeakPolarHBondContact CD-OD1 3.32Å; R1044-D1071 IonicContact CZ-OD1 3.43Å; R1044-D1071 IonicContact NE-OD1 3.22Å; R1044-D1071 PolarHBondContact NE-OD1 3.07Å; R1044-D1071 VanDerWaalsContact NE-OD1 3.12Å; R1044-D1071 IonicContact NH1-OD1 2.78Å; R1044-D1071 PolarHBondContact NH1-OD1 3.33Å; R1044-D1071 IonicContact NH2-OD1 3.37Å; R1044-D1071 PolarHBondContact NH2-OD1 3.15Å |
| 1045 | S | 93.4 | Very high | 92.9 | Very high | 40 Ų | 40 | 24.2 Ų | 24.2 | 28% | 0.28 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -68.7 | -42.9 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | R1041 F1042 R1043 A1048 E1049 | R1041-S1045 WeakPolarHBondContact O-CB 3.25Å; R1041-S1045 PolarHBondContact O-N 2.77Å; R1041-S1045 PolarHBondContact O-OG 3.21Å; F1042-S1045 WeakPolarHBondContact O-CB 3.43Å; F1042-S1045 PolarHBondContact O-N 2.9Å; R1043-S1045 PolarHBondContact O-N 2.82Å; S1045-A1048 PolarHBondContact O-N 2.86Å; S1045-E1049 PolarHBondContact O-N 3.07Å |
| 1046 | L | 95.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.2 | -50.8 | 173.6 | -67.9 | 171.1 | 0 | 0 | 0 | 111.2 | I350 V677 Y825 I985 F1042 R1043 A1048 E1049 F1050 | I350-L1046 HydrophobicContact CB-CD2 4.47Å; I350-L1046 HydrophobicContact CD1-CD2 3.72Å; I350-L1046 HydrophobicContact CD1-CG 3.96Å; I350-L1046 HydrophobicContact CG1-CD2 3.82Å; I350-L1046 HydrophobicContact CG1-CG 4.46Å; I350-L1046 HydrophobicContact CG2-CD2 3.78Å; V677-L1046 HydrophobicContact CG2-CD2 4.11Å; Y825-L1046 HydrophobicContact CE1-CD1 3.75Å; I985-L1046 HydrophobicContact CD1-CD1 4.33Å; F1042-L1046 HydrophobicContact CD1-CD1 4.1Å; F1042-L1046 HydrophobicContact CE1-CD1 3.53Å; F1042-L1046 HydrophobicContact CE1-CG 4.25Å; F1042-L1046 HydrophobicContact CE2-CG 4.48Å; F1042-L1046 HydrophobicContact CZ-CD1 3.8Å; F1042-L1046 HydrophobicContact CZ-CD2 4.22Å; F1042-L1046 HydrophobicContact CZ-CG 4.12Å; F1042-L1046 PolarHBondContact O-N 2.75Å; R1043-L1046 PolarHBondContact O-N 3.5Å; L1046-A1048 VanDerWaalsContact C-N 3.34Å; L1046-A1048 PolarHBondContact O-N 3.15Å; L1046-E1049 WeakPolarHBondContact O-CB 3.29Å; L1046-E1049 PolarHBondContact O-N 2.93Å; L1046-F1050 HydrophobicContact CD2-CZ 4.49Å; L1046-F1050 VanDerWaalsContact O-CG 3.3Å; L1046-F1050 WeakPolarHBondContact O-CG 3.17Å; L1046-F1050 PolarHBondContact O-N 3.11Å; L1046-F1050 VanDerWaalsContact O-N 3.1Å |
| 1047 | M | 96.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.1 | -39.6 | 179.4 | -68.5 | -177.8 | 162.4 | 0 | 0 | 111.9 | Y825 F902 R1043 E1049 F1050 L1051 L1070 P1073 F1078 W1083 | Y825-M1047 HydrophobicContact CD2-CE 3.78Å; Y825-M1047 HydrophobicContact CE2-CE 3.98Å; Y825-M1047 HydrophobicContact CE2-CG 4.48Å; F902-M1047 HydrophobicContact CD1-CE 4.18Å; F902-M1047 HydrophobicContact CD2-CE 4.31Å; F902-M1047 HydrophobicContact CE1-CE 4.02Å; F902-M1047 HydrophobicContact CE2-CE 4.17Å; F902-M1047 HydrophobicContact CG-CE 4.3Å; F902-M1047 HydrophobicContact CZ-CE 3.99Å; R1043-M1047 HydrophobicContact CG-CE 4.19Å; R1043-M1047 HydrophobicContact CG-CG 4.45Å; R1043-M1047 HydrophobicContact CG-SD 4.06Å; R1043-M1047 PolarHBondContact NH1-SD 3.47Å; R1043-M1047 WeakPolarHBondContact O-CG 3.33Å; R1043-M1047 PolarHBondContact O-N 3.28Å; M1047-E1049 VanDerWaalsContact C-N 3.33Å; M1047-E1049 PolarHBondContact O-N 2.84Å; M1047-F1050 PolarHBondContact O-N 2.86Å; M1047-L1051 VanDerWaalsContact O-CB 3.31Å; M1047-L1051 WeakPolarHBondContact O-CB 3.46Å; M1047-L1051 VanDerWaalsContact O-CG 3.25Å; M1047-L1051 WeakPolarHBondContact O-CG 3.44Å; M1047-L1051 PolarHBondContact O-N 2.78Å; M1047-L1070 HydrophobicContact CB-CD2 4.01Å; M1047-P1073 HydrophobicContact CE-CB 4.1Å; M1047-P1073 HydrophobicContact SD-CB 4.36Å; M1047-F1078 HydrophobicContact CB-CZ 4.44Å; M1047-F1078 HydrophobicContact CE-CE1 4.06Å; M1047-F1078 HydrophobicContact CE-CZ 4.38Å; M1047-F1078 HydrophobicContact CG-CZ 4.43Å; M1047-F1078 HydrophobicContact SD-CE1 3.76Å; M1047-F1078 HydrophobicContact SD-CZ 3.56Å; M1047-F1078 VanDerWaalsContact SD-CZ 3.56Å; M1047-W1083 HydrophobicContact CB-CZ3 4.07Å; M1047-W1083 HydrophobicContact CG-CE3 4.44Å; M1047-W1083 HydrophobicContact CG-CH2 4.29Å; M1047-W1083 HydrophobicContact CG-CZ3 3.72Å |
| 1048 | A | 94 | Very high | 86 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64 | -36.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1044 S1045 L1046 G1052 M1053 L1054 L1070 | R1044-A1048 WeakPolarHBondContact O-CB 3.48Å; R1044-A1048 PolarHBondContact O-N 3.47Å; S1045-A1048 PolarHBondContact O-N 2.86Å; L1046-A1048 VanDerWaalsContact C-N 3.34Å; L1046-A1048 PolarHBondContact O-N 3.15Å; A1048-G1052 PolarHBondContact O-N 3.3Å; A1048-G1052 VanDerWaalsContact O-N 3.11Å; A1048-M1053 HydrophobicContact CB-CB 4.06Å; A1048-M1053 PolarHBondContact O-N 3.03Å; A1048-L1054 HydrophobicContact CB-CD2 3.72Å; A1048-L1054 HydrophobicContact CB-CG 3.97Å; A1048-L1054 PolarHBondContact O-N 3.38Å; A1048-L1070 HydrophobicContact CB-CD1 3.85Å |
| 1049 | E | 93.6 | Very high | 83.1 | Confident | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62 | -51.3 | 174 | -176.3 | -175.8 | 141.6 | 0 | 0 | 110.7 | I350 N479 H481 H675 S1045 L1046 M1047 L1051 G1052 L1054 Y1139 | I350-E1049 WeakPolarHBondContact CG2-OE2 3.35Å; N479-E1049 HydrophobicContact CB-CG 4.27Å; H481-E1049 IonicContact CD2-OE1 3.97Å; H481-E1049 IonicContact CE1-OE1 3.5Å; H481-E1049 IonicContact NE2-OE1 3.11Å; H481-E1049 PolarHBondContact NE2-OE1 2.72Å; H675-E1049 IonicContact CE1-OE1 2.89Å; H675-E1049 IonicContact ND1-OE1 3.03Å; H675-E1049 PolarHBondContact ND1-OE1 2.65Å; S1045-E1049 PolarHBondContact O-N 3.07Å; L1046-E1049 WeakPolarHBondContact O-CB 3.29Å; L1046-E1049 PolarHBondContact O-N 2.93Å; M1047-E1049 VanDerWaalsContact C-N 3.33Å; M1047-E1049 PolarHBondContact O-N 2.84Å; E1049-L1051 VanDerWaalsContact C-N 3.28Å; E1049-L1051 PolarHBondContact O-N 2.85Å; E1049-G1052 PolarHBondContact O-N 2.96Å; E1049-L1054 HydrophobicContact CB-CD1 3.7Å; E1049-L1054 HydrophobicContact CB-CG 4.39Å; E1049-L1054 HydrophobicContact CG-CD1 4.22Å; E1049-Y1139 HydrophobicContact CG-CD2 4.43Å; E1049-Y1139 HydrophobicContact CG-CE2 4.21Å; E1049-Y1139 WeakPolarHBondContact O-CD2 3.34Å |
| 1050 | F | 96.6 | Very high | 80 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.8 | -29.1 | -174.8 | -56.5 | -15.8 | 0 | 0 | 0 | 112.7 | H675 Y825 E827 M904 L961 L1046 M1047 G1052 W1083 G1138 Y1139 L1140 | H675-F1050 AromaticContact CD2-CZ 3.96Å; H675-F1050 AromaticContact CE1-CE1 3.5Å; H675-F1050 AromaticContact CE1-CZ 3.58Å; H675-F1050 AromaticContact ND1-CE1 3.72Å; H675-F1050 AromaticContact NE2-CE1 3.89Å; H675-F1050 AromaticContact NE2-CZ 3.5Å; H675-F1050 WeakPolarHBondContact NE2-CZ 3.27Å; Y825-F1050 WeakPolarHBondContact OH-CE2 3.31Å; E827-F1050 WeakPolarHBondContact OE1-CE2 2.81Å; E827-F1050 VanDerWaalsContact OE1-CZ 3.3Å; E827-F1050 WeakPolarHBondContact OE1-CZ 3.32Å; M904-F1050 HydrophobicContact CE-CD2 3.94Å; M904-F1050 HydrophobicContact CE-CE2 3.95Å; M904-F1050 HydrophobicContact CG-CE2 4.16Å; M904-F1050 HydrophobicContact SD-CD2 4.47Å; M904-F1050 HydrophobicContact SD-CE2 4.47Å; L961-F1050 HydrophobicContact CD1-CD1 3.85Å; L961-F1050 HydrophobicContact CD1-CE1 3.55Å; L961-F1050 HydrophobicContact CD1-CZ 3.95Å; L961-F1050 HydrophobicContact CD2-CB 3.96Å; L961-F1050 HydrophobicContact CD2-CD1 3.65Å; L961-F1050 HydrophobicContact CD2-CD2 4.09Å; L961-F1050 HydrophobicContact CD2-CE1 4.17Å; L961-F1050 HydrophobicContact CD2-CG 3.64Å; L961-F1050 HydrophobicContact CG-CD1 4.43Å; L1046-F1050 HydrophobicContact CD2-CZ 4.49Å; L1046-F1050 VanDerWaalsContact O-CG 3.3Å; L1046-F1050 WeakPolarHBondContact O-CG 3.17Å; L1046-F1050 PolarHBondContact O-N 3.11Å; L1046-F1050 VanDerWaalsContact O-N 3.1Å; M1047-F1050 PolarHBondContact O-N 2.86Å; F1050-G1052 VanDerWaalsContact C-N 3.35Å; F1050-W1083 AromaticContact CD2-CH2 3.91Å; F1050-W1083 HydrophobicContact CD2-CH2 3.91Å; F1050-W1083 HydrophobicContact CD2-CZ3 4.43Å; F1050-G1138 CarbonylContact O-C 3.56Å; F1050-G1138 WeakPolarHBondContact O-CA 3.41Å; F1050-Y1139 PolarHBondContact O-N 3.44Å; F1050-L1140 HydrophobicContact CB-CB 4.48Å; F1050-L1140 HydrophobicContact CB-CD1 4.32Å; F1050-L1140 PolarHBondContact O-N 3Å; F1050-L1140 VanDerWaalsContact O-N 3.13Å |
| 1051 | L | 95.5 | Very high | 76.7 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.058 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -3 | 174.3 | -65.1 | 170.2 | 0 | 0 | 0 | 113.3 | M1047 E1049 M1053 L1070 F1078 V1082 W1083 T1086 L1140 | M1047-L1051 VanDerWaalsContact O-CB 3.31Å; M1047-L1051 WeakPolarHBondContact O-CB 3.46Å; M1047-L1051 VanDerWaalsContact O-CG 3.25Å; M1047-L1051 WeakPolarHBondContact O-CG 3.44Å; M1047-L1051 PolarHBondContact O-N 2.78Å; E1049-L1051 VanDerWaalsContact C-N 3.28Å; E1049-L1051 PolarHBondContact O-N 2.85Å; L1051-M1053 VanDerWaalsContact C-N 3.29Å; L1051-M1053 HydrophobicContact CB-CG 3.84Å; L1051-M1053 HydrophobicContact CB-SD 3.83Å; L1051-M1053 HydrophobicContact CD1-SD 3.9Å; L1051-M1053 PolarHBondContact O-N 3.29Å; L1051-L1070 HydrophobicContact CD1-CD2 4Å; L1051-F1078 HydrophobicContact CD1-CE2 3.84Å; L1051-F1078 HydrophobicContact CD1-CZ 4.16Å; L1051-V1082 HydrophobicContact CD1-CG1 3.92Å; L1051-V1082 HydrophobicContact CD2-CG1 4.09Å; L1051-W1083 HydrophobicContact CD1-CE3 4.41Å; L1051-W1083 HydrophobicContact CD2-CE3 4.42Å; L1051-W1083 HydrophobicContact CG-CE3 4.42Å; L1051-T1086 HydrophobicContact CD2-CG2 4.1Å; L1051-L1140 HydrophobicContact CD2-CD2 4.3Å |
| 1052 | G | 91.3 | Very high | 73.6 | Confident | 39 Ų | 39 | 68.3 Ų | 68.3 | 40% | 0.402 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 26.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A1048 E1049 F1050 G1138 | A1048-G1052 PolarHBondContact O-N 3.3Å; A1048-G1052 VanDerWaalsContact O-N 3.11Å; E1049-G1052 PolarHBondContact O-N 2.96Å; F1050-G1052 VanDerWaalsContact C-N 3.35Å; G1052-G1138 VanDerWaalsContact CA-CA 3.46Å; G1052-G1138 VanDerWaalsContact N-CA 3.31Å |
| 1053 | M | 88.9 | Confident | 70.4 | Confident | 33 Ų | 33 | 74.7 Ų | 74.7 | 16% | 0.163 | 39% | 0.388 | C | S | . | . | trans | -92.6 | -11.2 | -178.3 | -61.7 | 175.7 | 75.3 | 0 | 0 | 113.2 | A1048 L1051 V1065 L1070 | A1048-M1053 HydrophobicContact CB-CB 4.06Å; A1048-M1053 PolarHBondContact O-N 3.03Å; L1051-M1053 VanDerWaalsContact C-N 3.29Å; L1051-M1053 HydrophobicContact CB-CG 3.84Å; L1051-M1053 HydrophobicContact CB-SD 3.83Å; L1051-M1053 HydrophobicContact CD1-SD 3.9Å; L1051-M1053 PolarHBondContact O-N 3.29Å; M1053-V1065 HydrophobicContact CB-CG1 3.89Å; M1053-V1065 HydrophobicContact CE-CG1 3.59Å; M1053-V1065 WeakPolarHBondContact O-CG2 3.48Å; M1053-L1070 HydrophobicContact CE-CD1 4.25Å; M1053-L1070 HydrophobicContact CE-CG 4.27Å; M1053-L1070 HydrophobicContact SD-CD1 4.32Å; M1053-L1070 HydrophobicContact SD-CD2 4.02Å; M1053-L1070 HydrophobicContact SD-CG 4.34Å | ||
| 1054 | L | 82.2 | Confident | 67.4 | Low | 46 Ų | 46 | 84.8 Ų | 84.8 | 24% | 0.241 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -66.7 | 140.7 | 173.5 | -68.2 | -179.4 | 0 | 0 | 0 | 110.5 | N479 A1048 E1049 K1056 | N479-L1054 HydrophobicContact CB-CD1 4.22Å; A1048-L1054 HydrophobicContact CB-CD2 3.72Å; A1048-L1054 HydrophobicContact CB-CG 3.97Å; A1048-L1054 PolarHBondContact O-N 3.38Å; E1049-L1054 HydrophobicContact CB-CD1 3.7Å; E1049-L1054 HydrophobicContact CB-CG 4.39Å; E1049-L1054 HydrophobicContact CG-CD1 4.22Å; L1054-K1056 PolarHBondContact O-N 2.9Å; L1054-K1056 VanDerWaalsContact O-N 3.16Å |
| 1055 | P | 66.7 | Low | 65.1 | Low | 83 Ų | 83 | 83.4 Ų | 83.4 | 54% | 0.539 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 122.4 | 173.5 | 24.6 | -31.4 | 0 | 0 | 0 | 109.3 | I1057 | P1055-I1057 PolarHBondContact O-N 3.3Å; P1055-I1057 VanDerWaalsContact O-N 3.15Å |
| 1056 | K | 58.8 | Low | 63.1 | Low | 175 Ų | 175 | 87.6 Ų | 87.6 | 76% | 0.761 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 119.4 | 158.7 | -64.1 | -178.1 | -179.1 | -179.6 | 0 | 105.3 | L1054 | L1054-K1056 PolarHBondContact O-N 2.9Å; L1054-K1056 VanDerWaalsContact O-N 3.16Å |
| 1057 | I | 41.6 | Very low | 61.7 | Low | 142 Ų | 142 | 91.3 Ų | 91.3 | 73% | 0.728 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -34.7 | 129.1 | -171.3 | -61.6 | 160.5 | 0 | 0 | 0 | 111.9 | P1055 | P1055-I1057 PolarHBondContact O-N 3.3Å; P1055-I1057 VanDerWaalsContact O-N 3.15Å |
| 1058 | P | 41.6 | Very low | 60.8 | Low | 100 Ų | 100 | 96.9 Ų | 96.9 | 65% | 0.649 | 49% | 0.487 | S | S | * | . | trans | -94.6 | 140.5 | -153.5 | 32.2 | -28 | 0 | 0 | 0 | 114.6 | ||||
| 1059 | K | 35 | Very low | 60.4 | Low | 190 Ų | 190 | 99.3 Ų | 99.3 | 83% | 0.826 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -130.8 | 116.9 | 130.5 | -75.9 | -170.3 | 177.8 | -176.4 | 0 | 106.6 | ||
| 1060 | E | 32.3 | Very low | 60.3 | Low | 179 Ų | 179 | 99.1 Ų | 99.1 | 84% | 0.836 | 50% | 0.499 | S | S | * | . | S | Bend | trans | 71.1 | 65.6 | 163.1 | -55.3 | 160.1 | -142.7 | 0 | 0 | 116.8 | ||
| 1061 | C | 27.8 | Very low | 60 | Low | 123 Ų | 123 | 101.4 Ų | 101.4 | 83% | 0.831 | 51% | 0.511 | S | S | * | . | trans | -162.7 | 115.6 | 148.6 | -123.1 | 0 | 0 | 0 | 0 | 111.1 | M1063 | C1061-M1063 VanDerWaalsContact C-N 3.29Å; C1061-M1063 PolarHBondContact O-N 3.47Å | ||
| 1062 | K | 27.6 | Very low | 60 | Low | 198 Ų | 198 | 102.1 Ų | 102.1 | 86% | 0.861 | 52% | 0.515 | S | S | * | . | trans | -75.8 | 81 | 168.3 | -71.3 | -178.1 | 179 | 179 | 0 | 108.5 | Y1064 | K1062-Y1064 PolarHBondContact O-N 3.23Š| ||
| 1063 | M | 28.8 | Very low | 60.2 | Low | 144 Ų | 144 | 100.2 Ų | 100.2 | 71% | 0.709 | 50% | 0.496 | S | S | * | . | trans | -79.5 | 113 | 168.4 | -161.5 | 161.7 | 77.4 | 0 | 0 | 107.5 | C1061 V1065 | C1061-M1063 VanDerWaalsContact C-N 3.29Å; C1061-M1063 PolarHBondContact O-N 3.47Å; M1063-V1065 VanDerWaalsContact C-N 3.26Å; M1063-V1065 HydrophobicContact CE-CG2 4.31Å; M1063-V1065 PolarHBondContact O-N 3.05Å | ||
| 1064 | Y | 33.3 | Very low | 60.6 | Low | 213 Ų | 213 | 98.8 Ų | 98.8 | 84% | 0.835 | 49% | 0.488 | S | S | * | . | trans | -65.8 | 91.2 | 168.7 | -76.5 | -92.1 | 0 | 0 | 0 | 107.6 | K1062 H1066 | K1062-Y1064 PolarHBondContact O-N 3.23Å; Y1064-H1066 PolarHBondContact O-N 3.03Å | ||
| 1065 | V | 46.7 | Very low | 61.2 | Low | 29 Ų | 29 | 97.7 Ų | 97.7 | 18% | 0.176 | 49% | 0.485 | C | S | . | . | trans | -72.4 | 120.1 | 166.9 | 179.5 | 0 | 0 | 0 | 0 | 105.7 | M1053 M1063 H1067 | M1053-V1065 HydrophobicContact CB-CG1 3.89Å; M1053-V1065 HydrophobicContact CE-CG1 3.59Å; M1053-V1065 WeakPolarHBondContact O-CG2 3.48Å; M1063-V1065 VanDerWaalsContact C-N 3.26Å; M1063-V1065 HydrophobicContact CE-CG2 4.31Å; M1063-V1065 PolarHBondContact O-N 3.05Å; V1065-H1067 PolarHBondContact O-CD2 3.36Å; V1065-H1067 PolarHBondContact O-N 3.39Å | ||
| 1066 | H | 51 | Low | 62.5 | Low | 128 Ų | 128 | 96.8 Ų | 96.8 | 59% | 0.593 | 48% | 0.48 | S | S | * | . | trans | -65.2 | 75.6 | 170.9 | -87.8 | -81.6 | 0 | 0 | 0 | 109.3 | Y1064 D1068 L1069 | Y1064-H1066 PolarHBondContact O-N 3.03Å; H1066-D1068 PolarHBondContact O-N 3.11Å; H1066-L1069 HydrophobicContact CB-CD1 4.06Å; H1066-L1069 HydrophobicContact CB-CG 4.35Å; H1066-L1069 PolarHBondContact O-N 2.93Å | ||
| 1067 | H | 66.9 | Low | 64.2 | Low | 79 Ų | 79 | 94 Ų | 94 | 37% | 0.366 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -64.2 | -17.7 | 179.3 | -82.9 | -61.1 | 0 | 0 | 0 | 112.5 | R1044 V1065 L1069 L1070 | R1044-H1067 PolarHBondContact NH2-O 3.04Å; V1065-H1067 PolarHBondContact O-CD2 3.36Å; V1065-H1067 PolarHBondContact O-N 3.39Å; H1067-L1069 VanDerWaalsContact C-N 3.34Å; H1067-L1070 PolarHBondContact O-N 3.19Å |
| 1068 | D | 77.7 | Confident | 66.7 | Low | 116 Ų | 116 | 87.2 Ų | 87.2 | 62% | 0.62 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -67.2 | -32.7 | 178.6 | -51.4 | -22.2 | 0 | 0 | 0 | 111.9 | H1066 L1070 D1071 | H1066-D1068 PolarHBondContact O-N 3.11Å; D1068-L1070 PolarHBondContact O-N 3.33Å; D1068-D1071 WeakPolarHBondContact O-CB 3.25Å; D1068-D1071 PolarHBondContact O-N 2.92Å; D1068-D1071 VanDerWaalsContact O-N 3.07Å |
| 1069 | L | 83.7 | Confident | 69.4 | Low | 53 Ų | 53 | 82.5 Ų | 82.5 | 28% | 0.277 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -63.2 | -25.3 | 176.1 | -72.9 | 171 | 0 | 0 | 0 | 112.5 | H1066 H1067 D1071 E1077 F1078 | H1066-L1069 HydrophobicContact CB-CD1 4.06Å; H1066-L1069 HydrophobicContact CB-CG 4.35Å; H1066-L1069 PolarHBondContact O-N 2.93Å; H1067-L1069 VanDerWaalsContact C-N 3.34Å; L1069-D1071 VanDerWaalsContact C-N 3.32Å; L1069-E1077 HydrophobicContact CD2-CG 4.21Å; L1069-F1078 WeakPolarHBondContact O-CD2 3.49Å |
| 1070 | L | 91.5 | Very high | 72.3 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -82.5 | -11.7 | 179 | -59.6 | 170.9 | 0 | 0 | 0 | 112.3 | R1043 R1044 M1047 A1048 L1051 M1053 H1067 D1068 F1078 | R1043-L1070 VanDerWaalsContact CZ-O 3.26Å; R1043-L1070 PolarHBondContact NH1-O 3.33Å; R1043-L1070 PolarHBondContact NH2-O 2.98Å; R1044-L1070 HydrophobicContact CB-CB 4.33Å; R1044-L1070 HydrophobicContact CG-CB 3.93Å; M1047-L1070 HydrophobicContact CB-CD2 4.01Å; A1048-L1070 HydrophobicContact CB-CD1 3.85Å; L1051-L1070 HydrophobicContact CD1-CD2 4Å; M1053-L1070 HydrophobicContact CE-CD1 4.25Å; M1053-L1070 HydrophobicContact CE-CG 4.27Å; M1053-L1070 HydrophobicContact SD-CD1 4.32Å; M1053-L1070 HydrophobicContact SD-CD2 4.02Å; M1053-L1070 HydrophobicContact SD-CG 4.34Å; H1067-L1070 PolarHBondContact O-N 3.19Å; D1068-L1070 PolarHBondContact O-N 3.33Å; L1070-F1078 HydrophobicContact CD2-CE2 3.76Å; L1070-F1078 HydrophobicContact CD2-CZ 4.3Å |
| 1071 | D | 91.3 | Very high | 75.4 | Confident | 47 Ų | 47 | 72.9 Ų | 72.9 | 25% | 0.251 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -32.7 | -176.1 | -72.3 | -27.7 | 0 | 0 | 0 | 112.2 | F1028 R1044 D1068 L1069 P1073 | F1028-D1071 WeakPolarHBondContact CE1-O 3.42Å; R1044-D1071 VanDerWaalsContact CD-OD1 3.3Å; R1044-D1071 WeakPolarHBondContact CD-OD1 3.32Å; R1044-D1071 IonicContact CZ-OD1 3.43Å; R1044-D1071 IonicContact NE-OD1 3.22Å; R1044-D1071 PolarHBondContact NE-OD1 3.07Å; R1044-D1071 VanDerWaalsContact NE-OD1 3.12Å; R1044-D1071 IonicContact NH1-OD1 2.78Å; R1044-D1071 PolarHBondContact NH1-OD1 3.33Å; R1044-D1071 IonicContact NH2-OD1 3.37Å; R1044-D1071 PolarHBondContact NH2-OD1 3.15Å; D1068-D1071 WeakPolarHBondContact O-CB 3.25Å; D1068-D1071 PolarHBondContact O-N 2.92Å; D1068-D1071 VanDerWaalsContact O-N 3.07Å; L1069-D1071 VanDerWaalsContact C-N 3.32Å; D1071-P1073 WeakPolarHBondContact O-CD 3.46Å |
| 1072 | D | 95 | Very high | 78.6 | Confident | 26 Ų | 26 | 68.6 Ų | 68.6 | 14% | 0.139 | 34% | 0.336 | C | S | . | . | trans | -115 | 87.2 | 179 | -171.8 | -10.3 | 0 | 0 | 0 | 112 | G1029 V1074 S1075 F1078 | G1029-D1072 PolarHBondContact N-OD1 3.37Å; G1029-D1072 PolarHBondContact N-OD2 3.24Å; D1072-V1074 PolarHBondContact O-N 2.95Å; D1072-V1074 WeakPolarHBondContact OD1-CG2 3.28Å; D1072-V1074 PolarHBondContact OD1-N 3.43Å; D1072-V1074 VanDerWaalsContact OD1-N 3.07Å; D1072-S1075 PolarHBondContact O-OG 3.48Å; D1072-S1075 PolarHBondContact OD1-N 2.96Å; D1072-F1078 WeakPolarHBondContact O-CB 3.36Å | ||
| 1073 | P | 95.9 | Very high | 81.9 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -13.6 | 179.6 | 31.1 | -35.9 | 0 | 0 | 0 | 113.4 | F823 F902 F1028 M1047 D1071 F1078 | F823-P1073 HydrophobicContact CD1-CG 3.8Å; F823-P1073 HydrophobicContact CE1-CG 3.75Å; F823-P1073 HydrophobicContact CG-CG 4.24Å; F823-P1073 HydrophobicContact CZ-CG 4.17Å; F902-P1073 HydrophobicContact CE2-CB 4.13Å; F902-P1073 HydrophobicContact CZ-CB 4.08Å; F902-P1073 VanDerWaalsContact CZ-O 3.31Å; F902-P1073 WeakPolarHBondContact CZ-O 3.3Å; F1028-P1073 HydrophobicContact CE1-CG 4.24Å; M1047-P1073 HydrophobicContact CE-CB 4.1Å; M1047-P1073 HydrophobicContact SD-CB 4.36Å; D1071-P1073 WeakPolarHBondContact O-CD 3.46Å; P1073-F1078 VanDerWaalsContact CA-CD1 3.49Å; P1073-F1078 HydrophobicContact CB-CD1 4.2Å; P1073-F1078 HydrophobicContact CB-CE1 4.17Å |
| 1074 | V | 96.8 | Very high | 85.2 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -21.3 | -177.8 | -59.9 | 0 | 0 | 0 | 0 | 113 | N822 F823 L898 R900 F1028 G1029 D1072 | N822-V1074 HydrophobicContact CB-CG1 4.27Å; N822-V1074 VanDerWaalsContact O-CG1 3.3Å; N822-V1074 WeakPolarHBondContact O-CG1 3.38Å; F823-V1074 HydrophobicContact CB-CG1 3.74Å; F823-V1074 HydrophobicContact CD1-CG1 4.19Å; F823-V1074 HydrophobicContact CG-CG1 4.36Å; L898-V1074 HydrophobicContact CD2-CB 3.94Å; L898-V1074 HydrophobicContact CD2-CG2 3.74Å; L898-V1074 WeakPolarHBondContact CD2-O 3.29Å; L898-V1074 HydrophobicContact CG-CB 4.25Å; L898-V1074 HydrophobicContact CG-CG2 4.45Å; R900-V1074 HydrophobicContact CB-CG1 4.3Å; R900-V1074 HydrophobicContact CG-CB 3.94Å; R900-V1074 HydrophobicContact CG-CG1 4.01Å; R900-V1074 PolarHBondContact NE-O 3.49Å; R900-V1074 VanDerWaalsContact NE-O 3.09Å; F1028-V1074 HydrophobicContact CB-CG2 3.59Å; F1028-V1074 HydrophobicContact CG-CG2 4.34Å; G1029-V1074 VanDerWaalsContact N-CG2 3.29Å; D1072-V1074 PolarHBondContact O-N 2.95Å; D1072-V1074 WeakPolarHBondContact OD1-CG2 3.28Å; D1072-V1074 PolarHBondContact OD1-N 3.43Å; D1072-V1074 VanDerWaalsContact OD1-N 3.07Å |
| 1075 | S | 95.2 | Very high | 88.3 | Confident | 23 Ų | 23 | 45.7 Ų | 45.7 | 16% | 0.161 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -50.6 | 141.8 | 176.2 | 69.4 | 0 | 0 | 0 | 0 | 111.7 | D1072 E1077 F1078 F1079 | D1072-S1075 PolarHBondContact O-OG 3.48Å; D1072-S1075 PolarHBondContact OD1-N 2.96Å; S1075-E1077 VanDerWaalsContact C-N 3.27Å; S1075-E1077 PolarHBondContact O-N 3.27Å; S1075-F1078 PolarHBondContact O-N 3.35Å; S1075-F1078 VanDerWaalsContact OG-CB 3.22Å; S1075-F1078 WeakPolarHBondContact OG-CB 3.34Å; S1075-F1078 PolarHBondContact OG-N 3.02Å; S1075-F1079 VanDerWaalsContact O-CB 3.29Å; S1075-F1079 WeakPolarHBondContact O-CB 3.23Å; S1075-F1079 PolarHBondContact O-N 3.16Å |
| 1076 | S | 94.7 | Very high | 90.7 | Very high | 64 Ų | 64 | 45.3 Ų | 45.3 | 45% | 0.448 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.9 | -37.3 | 177.3 | -62.4 | 0 | 0 | 0 | 0 | 111.9 | R900 F1078 F1079 H1080 D1081 | R900-S1076 PolarHBondContact NH2-OG 2.96Å; S1076-F1078 VanDerWaalsContact C-N 3.35Å; S1076-F1078 PolarHBondContact O-N 3.14Å; S1076-F1079 PolarHBondContact O-N 3.15Å; S1076-H1080 WeakPolarHBondContact O-CB 3.36Å; S1076-H1080 PolarHBondContact O-N 2.76Å; S1076-D1081 PolarHBondContact O-N 3.18Å |
| 1077 | E | 93.9 | Very high | 93 | Very high | 117 Ų | 117 | 39.3 Ų | 39.3 | 55% | 0.547 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -56.5 | -47.6 | 175.4 | -177.1 | 178.8 | -173.8 | 0 | 0 | 111.1 | L1069 S1075 D1081 V1082 | L1069-E1077 HydrophobicContact CD2-CG 4.21Å; S1075-E1077 VanDerWaalsContact C-N 3.27Å; S1075-E1077 PolarHBondContact O-N 3.27Å; E1077-D1081 WeakPolarHBondContact CA-OD2 3.22Å; E1077-D1081 VanDerWaalsContact O-CB 3.31Å; E1077-D1081 WeakPolarHBondContact O-CB 3.42Å; E1077-D1081 PolarHBondContact O-N 3.15Å; E1077-V1082 PolarHBondContact O-N 3.13Å; E1077-V1082 VanDerWaalsContact O-N 3.17Å |
| 1078 | F | 95.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -72.7 | -52.4 | 176.6 | -178.6 | -97.1 | 0 | 0 | 0 | 112.3 | F902 M1047 L1051 L1069 L1070 D1072 P1073 S1075 S1076 V1082 W1083 | F902-F1078 HydrophobicContact CE1-CE1 4.24Å; F902-F1078 HydrophobicContact CZ-CE1 4.22Å; M1047-F1078 HydrophobicContact CB-CZ 4.44Å; M1047-F1078 HydrophobicContact CE-CE1 4.06Å; M1047-F1078 HydrophobicContact CE-CZ 4.38Å; M1047-F1078 HydrophobicContact CG-CZ 4.43Å; M1047-F1078 HydrophobicContact SD-CE1 3.76Å; M1047-F1078 HydrophobicContact SD-CZ 3.56Å; M1047-F1078 VanDerWaalsContact SD-CZ 3.56Å; L1051-F1078 HydrophobicContact CD1-CE2 3.84Å; L1051-F1078 HydrophobicContact CD1-CZ 4.16Å; L1069-F1078 WeakPolarHBondContact O-CD2 3.49Å; L1070-F1078 HydrophobicContact CD2-CE2 3.76Å; L1070-F1078 HydrophobicContact CD2-CZ 4.3Å; D1072-F1078 WeakPolarHBondContact O-CB 3.36Å; P1073-F1078 VanDerWaalsContact CA-CD1 3.49Å; P1073-F1078 HydrophobicContact CB-CD1 4.2Å; P1073-F1078 HydrophobicContact CB-CE1 4.17Å; S1075-F1078 PolarHBondContact O-N 3.35Å; S1075-F1078 VanDerWaalsContact OG-CB 3.22Å; S1075-F1078 WeakPolarHBondContact OG-CB 3.34Å; S1075-F1078 PolarHBondContact OG-N 3.02Å; S1076-F1078 VanDerWaalsContact C-N 3.35Å; S1076-F1078 PolarHBondContact O-N 3.14Å; F1078-V1082 HydrophobicContact CD2-CB 4.23Å; F1078-V1082 HydrophobicContact CD2-CG1 4.27Å; F1078-V1082 HydrophobicContact CE2-CG1 4.24Å; F1078-V1082 WeakPolarHBondContact O-CB 3.46Å; F1078-V1082 PolarHBondContact O-N 3.45Å; F1078-W1083 HydrophobicContact CE1-CB 4.18Å; F1078-W1083 HydrophobicContact CE1-CE3 4.34Å; F1078-W1083 HydrophobicContact CZ-CB 4.41Å; F1078-W1083 AromaticContact CZ-CE3 3.99Å; F1078-W1083 HydrophobicContact CZ-CE3 3.99Å; F1078-W1083 WeakPolarHBondContact O-CB 3.42Å; F1078-W1083 PolarHBondContact O-N 2.76Å |
| 1079 | F | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -66.4 | -47.4 | -169.6 | -174.9 | -97.9 | 0 | 0 | 0 | 112.5 | R900 F902 E953 D954 S1075 S1076 N1084 | R900-F1079 HydrophobicContact CB-CD2 3.96Å; R900-F1079 HydrophobicContact CB-CE2 3.89Å; R900-F1079 HydrophobicContact CG-CD2 3.81Å; R900-F1079 HydrophobicContact CG-CE2 4.13Å; R900-F1079 HydrophobicContact CG-CG 4.13Å; F902-F1079 HydrophobicContact CD1-CD2 4.47Å; F902-F1079 HydrophobicContact CD1-CE2 4.29Å; F902-F1079 AromaticContact CE1-CD2 3.58Å; F902-F1079 HydrophobicContact CE1-CD2 3.58Å; F902-F1079 AromaticContact CE1-CE2 3.82Å; F902-F1079 HydrophobicContact CE1-CE2 3.82Å; F902-F1079 HydrophobicContact CE2-CD2 4.31Å; F902-F1079 HydrophobicContact CE2-CE2 4.48Å; F902-F1079 AromaticContact CZ-CD2 3.5Å; F902-F1079 HydrophobicContact CZ-CD2 3.5Å; F902-F1079 VanDerWaalsContact CZ-CD2 3.5Å; F902-F1079 AromaticContact CZ-CE2 3.95Å; F902-F1079 HydrophobicContact CZ-CE2 3.95Å; E953-F1079 WeakPolarHBondContact O-CE1 3.14Å; D954-F1079 WeakPolarHBondContact O-CE1 3.45Å; S1075-F1079 VanDerWaalsContact O-CB 3.29Å; S1075-F1079 WeakPolarHBondContact O-CB 3.23Å; S1075-F1079 PolarHBondContact O-N 3.16Å; S1076-F1079 PolarHBondContact O-N 3.15Å; F1079-N1084 VanDerWaalsContact CE1-ND2 3.35Å; F1079-N1084 WeakPolarHBondContact CE1-ND2 3.43Å; F1079-N1084 WeakPolarHBondContact O-CB 3.27Å; F1079-N1084 VanDerWaalsContact O-CG 3.3Å; F1079-N1084 PolarHBondContact O-N 2.83Å; F1079-N1084 VanDerWaalsContact O-N 3.08Å; F1079-N1084 PolarHBondContact O-ND2 3.16Å; F1079-N1084 VanDerWaalsContact O-ND2 3.14Å |
| 1080 | H | 96.8 | Very high | 96.1 | Very high | 54 Ų | 54 | 35.5 Ų | 35.5 | 25% | 0.25 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -87.4 | -54.8 | -178.8 | -62.2 | -74.9 | 0 | 0 | 0 | 111.6 | R900 D954 S1076 A1085 | R900-H1080 PolarHBondContact NH2-NE2 2.88Å; D954-H1080 IonicContact OD1-CE1 2.92Å; D954-H1080 PolarHBondContact OD1-CE1 3.38Å; D954-H1080 VanDerWaalsContact OD1-CE1 3.24Å; D954-H1080 IonicContact OD1-NE2 3.95Å; S1076-H1080 WeakPolarHBondContact O-CB 3.36Å; S1076-H1080 PolarHBondContact O-N 2.76Å; H1080-A1085 WeakPolarHBondContact O-CB 3.49Å; H1080-A1085 PolarHBondContact O-N 2.8Å |
| 1081 | D | 95.9 | Very high | 96.4 | Very high | 114 Ų | 114 | 35.6 Ų | 35.6 | 61% | 0.61 | 20% | 0.199 | S | C | * | . | I | π-helix | trans | -84 | -18.9 | -165.3 | -50.8 | -42.4 | 0 | 0 | 0 | 113.6 | S1076 E1077 A1085 | S1076-D1081 PolarHBondContact O-N 3.18Å; E1077-D1081 WeakPolarHBondContact CA-OD2 3.22Å; E1077-D1081 VanDerWaalsContact O-CB 3.31Å; E1077-D1081 WeakPolarHBondContact O-CB 3.42Å; E1077-D1081 PolarHBondContact O-N 3.15Å; D1081-A1085 WeakPolarHBondContact O-CB 3.29Å |
| 1082 | V | 95.3 | Very high | 96.8 | Very high | 32 Ų | 32 | 38.3 Ų | 38.3 | 19% | 0.194 | 21% | 0.21 | C | C | . | . | I | π-helix | trans | -107.2 | -64 | 175.4 | 180 | 0 | 0 | 0 | 0 | 111 | L1051 E1077 F1078 T1086 | L1051-V1082 HydrophobicContact CD1-CG1 3.92Å; L1051-V1082 HydrophobicContact CD2-CG1 4.09Å; E1077-V1082 PolarHBondContact O-N 3.13Å; E1077-V1082 VanDerWaalsContact O-N 3.17Å; F1078-V1082 HydrophobicContact CD2-CB 4.23Å; F1078-V1082 HydrophobicContact CD2-CG1 4.27Å; F1078-V1082 HydrophobicContact CE2-CG1 4.24Å; F1078-V1082 WeakPolarHBondContact O-CB 3.46Å; F1078-V1082 PolarHBondContact O-N 3.45Å; V1082-T1086 WeakPolarHBondContact O-CB 3.43Å; V1082-T1086 PolarHBondContact O-N 3.12Å; V1082-T1086 PolarHBondContact O-OG1 2.83Å |
| 1083 | W | 97.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -67.5 | -63.5 | -170.3 | -178.6 | -91.9 | 0 | 0 | 0 | 112.1 | Y825 F902 M904 S957 M1047 F1050 L1051 F1078 T1086 A1087 L1140 | Y825-W1083 HydrophobicContact CE2-CH2 4.25Å; F902-W1083 HydrophobicContact CD1-CD2 4.18Å; F902-W1083 AromaticContact CD1-CE2 3.69Å; F902-W1083 HydrophobicContact CD1-CG 4.36Å; F902-W1083 HydrophobicContact CD1-CZ2 4.01Å; F902-W1083 AromaticContact CD1-NE1 3.63Å; F902-W1083 AromaticContact CE1-CD1 3.92Å; F902-W1083 HydrophobicContact CE1-CD2 4.09Å; F902-W1083 AromaticContact CE1-CG 3.99Å; F902-W1083 HydrophobicContact CE1-CG 3.99Å; F902-W1083 AromaticContact CE1-NE1 4Å; M904-W1083 HydrophobicContact SD-CH2 3.98Å; M904-W1083 HydrophobicContact SD-CZ2 3.52Å; M904-W1083 VanDerWaalsContact SD-CZ2 3.52Å; S957-W1083 VanDerWaalsContact OG-CD1 3.31Å; S957-W1083 PolarHBondContact OG-NE1 2.96Å; M1047-W1083 HydrophobicContact CB-CZ3 4.07Å; M1047-W1083 HydrophobicContact CG-CE3 4.44Å; M1047-W1083 HydrophobicContact CG-CH2 4.29Å; M1047-W1083 HydrophobicContact CG-CZ3 3.72Å; F1050-W1083 AromaticContact CD2-CH2 3.91Å; F1050-W1083 HydrophobicContact CD2-CH2 3.91Å; F1050-W1083 HydrophobicContact CD2-CZ3 4.43Å; L1051-W1083 HydrophobicContact CD1-CE3 4.41Å; L1051-W1083 HydrophobicContact CD2-CE3 4.42Å; L1051-W1083 HydrophobicContact CG-CE3 4.42Å; F1078-W1083 HydrophobicContact CE1-CB 4.18Å; F1078-W1083 HydrophobicContact CE1-CE3 4.34Å; F1078-W1083 HydrophobicContact CZ-CB 4.41Å; F1078-W1083 AromaticContact CZ-CE3 3.99Å; F1078-W1083 HydrophobicContact CZ-CE3 3.99Å; F1078-W1083 WeakPolarHBondContact O-CB 3.42Å; F1078-W1083 PolarHBondContact O-N 2.76Å; W1083-T1086 PolarHBondContact O-N 3.11Å; W1083-A1087 PolarHBondContact O-N 3.27Å; W1083-A1087 VanDerWaalsContact O-N 3.09Å; W1083-L1140 HydrophobicContact CD2-CD2 3.67Å; W1083-L1140 HydrophobicContact CE3-CD2 3.9Å; W1083-L1140 HydrophobicContact CG-CD2 4.09Å; W1083-L1140 HydrophobicContact CH2-CD1 4.02Å; W1083-L1140 HydrophobicContact CH2-CD2 4.48Å; W1083-L1140 HydrophobicContact CZ2-CD1 3.84Å; W1083-L1140 HydrophobicContact CZ2-CD2 4.26Å; W1083-L1140 HydrophobicContact CZ3-CD1 4.48Å; W1083-L1140 HydrophobicContact CZ3-CD2 4.28Å; W1083-L1140 VanDerWaalsContact O-CD2 3.25Å; W1083-L1140 WeakPolarHBondContact O-CD2 3.39Å |
| 1084 | N | 98.1 | Very high | 97 | Very high | 30 Ų | 30 | 37.7 Ų | 37.7 | 16% | 0.16 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -66.1 | -42.5 | -178.8 | -72.4 | -29.5 | 0 | 0 | 0 | 111.9 | S957 F1079 T1086 A1087 V1088 | S957-N1084 VanDerWaalsContact CB-OD1 3.28Å; S957-N1084 WeakPolarHBondContact CB-OD1 3.49Å; S957-N1084 PolarHBondContact OG-OD1 2.82Å; F1079-N1084 VanDerWaalsContact CE1-ND2 3.35Å; F1079-N1084 WeakPolarHBondContact CE1-ND2 3.43Å; F1079-N1084 WeakPolarHBondContact O-CB 3.27Å; F1079-N1084 VanDerWaalsContact O-CG 3.3Å; F1079-N1084 PolarHBondContact O-N 2.83Å; F1079-N1084 VanDerWaalsContact O-N 3.08Å; F1079-N1084 PolarHBondContact O-ND2 3.16Å; F1079-N1084 VanDerWaalsContact O-ND2 3.14Å; N1084-T1086 VanDerWaalsContact C-N 3.33Å; N1084-T1086 PolarHBondContact O-N 2.92Å; N1084-A1087 WeakPolarHBondContact O-CB 3.41Å; N1084-A1087 PolarHBondContact O-N 3.09Å; N1084-V1088 WeakPolarHBondContact O-CG2 3.42Å; N1084-V1088 PolarHBondContact O-N 2.78Å |
| 1085 | A | 97.8 | Very high | 97 | Very high | 44 Ų | 44 | 38.3 Ų | 38.3 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.8 | -40 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H1080 D1081 K1089 | H1080-A1085 WeakPolarHBondContact O-CB 3.49Å; H1080-A1085 PolarHBondContact O-N 2.8Å; D1081-A1085 WeakPolarHBondContact O-CB 3.29Å; A1085-K1089 VanDerWaalsContact O-CB 3.22Å; A1085-K1089 WeakPolarHBondContact O-CB 3.3Å; A1085-K1089 PolarHBondContact O-N 2.83Å |
| 1086 | T | 97.7 | Very high | 97.1 | Very high | 20 Ų | 20 | 42.9 Ų | 42.9 | 12% | 0.123 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.4 | -45.5 | 175.4 | -62.5 | 0 | 0 | 0 | 0 | 110.9 | L1051 V1082 W1083 N1084 V1088 K1089 N1090 K1137 | L1051-T1086 HydrophobicContact CD2-CG2 4.1Å; V1082-T1086 WeakPolarHBondContact O-CB 3.43Å; V1082-T1086 PolarHBondContact O-N 3.12Å; V1082-T1086 PolarHBondContact O-OG1 2.83Å; W1083-T1086 PolarHBondContact O-N 3.11Å; N1084-T1086 VanDerWaalsContact C-N 3.33Å; N1084-T1086 PolarHBondContact O-N 2.92Å; T1086-V1088 PolarHBondContact O-N 3.11Å; T1086-K1089 PolarHBondContact O-N 2.9Å; T1086-N1090 VanDerWaalsContact O-CB 3.29Å; T1086-N1090 WeakPolarHBondContact O-CB 3.44Å; T1086-N1090 VanDerWaalsContact O-CG 3.28Å; T1086-N1090 PolarHBondContact O-N 3.06Å; T1086-K1137 HydrophobicContact CG2-CB 4.21Å; T1086-K1137 WeakPolarHBondContact CG2-O 3.5Å |
| 1087 | A | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 2% | 0.017 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.9 | -54.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | W1083 N1084 K1089 N1090 G1091 L1140 P1142 | W1083-A1087 PolarHBondContact O-N 3.27Å; W1083-A1087 VanDerWaalsContact O-N 3.09Å; N1084-A1087 WeakPolarHBondContact O-CB 3.41Å; N1084-A1087 PolarHBondContact O-N 3.09Å; A1087-K1089 PolarHBondContact O-N 3.2Å; A1087-N1090 PolarHBondContact O-N 2.88Å; A1087-G1091 PolarHBondContact O-N 3.42Å; A1087-L1140 HydrophobicContact CB-CD2 3.91Å; A1087-L1140 HydrophobicContact CB-CG 3.86Å; A1087-P1142 HydrophobicContact CB-CG 4.29Å; A1087-P1142 WeakPolarHBondContact O-CD 3.09Å; A1087-P1142 WeakPolarHBondContact O-CG 3.31Å |
| 1088 | V | 98.1 | Very high | 97.5 | Very high | 74 Ų | 74 | 35.4 Ų | 35.4 | 45% | 0.448 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.8 | -51.8 | -179.2 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | N1084 T1086 N1090 G1091 E1092 | N1084-V1088 WeakPolarHBondContact O-CG2 3.42Å; N1084-V1088 PolarHBondContact O-N 2.78Å; T1086-V1088 PolarHBondContact O-N 3.11Å; V1088-N1090 PolarHBondContact O-N 3.23Å; V1088-G1091 PolarHBondContact O-N 2.95Å; V1088-E1092 WeakPolarHBondContact O-CG 3.25Å; V1088-E1092 PolarHBondContact O-N 2.89Å |
| 1089 | K | 98.2 | Very high | 97.5 | Very high | 94 Ų | 94 | 36.7 Ų | 36.7 | 41% | 0.409 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -59.5 | -45.8 | -178.7 | -177 | 175.9 | 179.5 | 179.4 | 0 | 112.2 | A1085 T1086 A1087 E1092 I1093 | A1085-K1089 VanDerWaalsContact O-CB 3.22Å; A1085-K1089 WeakPolarHBondContact O-CB 3.3Å; A1085-K1089 PolarHBondContact O-N 2.83Å; T1086-K1089 PolarHBondContact O-N 2.9Å; A1087-K1089 PolarHBondContact O-N 3.2Å; K1089-E1092 PolarHBondContact O-N 3.17Å; K1089-I1093 HydrophobicContact CG-CD1 3.99Å; K1089-I1093 WeakPolarHBondContact O-CG1 3.29Å; K1089-I1093 PolarHBondContact O-N 2.94Å; K1089-I1093 VanDerWaalsContact O-N 3.12Å |
| 1090 | N | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 177 | -75.7 | -10.5 | 0 | 0 | 0 | 111 | T1086 A1087 V1088 E1092 I1093 F1094 I1136 K1137 L1140 V1141 | T1086-N1090 VanDerWaalsContact O-CB 3.29Å; T1086-N1090 WeakPolarHBondContact O-CB 3.44Å; T1086-N1090 VanDerWaalsContact O-CG 3.28Å; T1086-N1090 PolarHBondContact O-N 3.06Å; A1087-N1090 PolarHBondContact O-N 2.88Å; V1088-N1090 PolarHBondContact O-N 3.23Å; N1090-E1092 VanDerWaalsContact C-N 3.33Å; N1090-E1092 PolarHBondContact O-N 2.85Å; N1090-I1093 PolarHBondContact O-N 3.22Å; N1090-F1094 HydrophobicContact CB-CD2 4.37Å; N1090-F1094 HydrophobicContact CB-CE2 4.43Å; N1090-F1094 WeakPolarHBondContact O-CD2 3.28Å; N1090-F1094 PolarHBondContact O-N 3.18Å; N1090-I1136 HydrophobicContact CB-CD1 4.02Å; N1090-I1136 WeakPolarHBondContact OD1-CA 3.5Å; N1090-K1137 PolarHBondContact ND2-O 2.89Å; N1090-K1137 PolarHBondContact OD1-N 3.46Å; N1090-K1137 VanDerWaalsContact OD1-N 3.11Å; N1090-L1140 WeakPolarHBondContact CB-O 3.41Å; N1090-L1140 PolarHBondContact ND2-O 3.4Å; N1090-V1141 HydrophobicContact CB-CG1 4.03Å |
| 1091 | G | 98 | Very high | 97.4 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.1 | -43.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113 | A1087 V1088 G1095 Y1144 | A1087-G1091 PolarHBondContact O-N 3.42Å; V1088-G1091 PolarHBondContact O-N 2.95Å; G1091-G1095 PolarHBondContact O-N 2.92Å; G1091-Y1144 WeakPolarHBondContact CA-OH 3.41Å; G1091-Y1144 PolarHBondContact O-OH 3.14Å |
| 1092 | E | 97.9 | Very high | 97.4 | Very high | 104 Ų | 104 | 30.4 Ų | 30.4 | 49% | 0.486 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 175.5 | -72.8 | -177 | -166.7 | 0 | 0 | 112.8 | V1088 K1089 N1090 G1095 K1096 | V1088-E1092 WeakPolarHBondContact O-CG 3.25Å; V1088-E1092 PolarHBondContact O-N 2.89Å; K1089-E1092 PolarHBondContact O-N 3.17Å; N1090-E1092 VanDerWaalsContact C-N 3.33Å; N1090-E1092 PolarHBondContact O-N 2.85Å; E1092-G1095 PolarHBondContact O-N 3.4Å; E1092-K1096 WeakPolarHBondContact O-CB 3.46Å; E1092-K1096 VanDerWaalsContact O-CG 3.3Å; E1092-K1096 WeakPolarHBondContact O-CG 3.39Å; E1092-K1096 PolarHBondContact O-N 3.27Å; E1092-K1096 IonicContact OE2-NZ 3.74Å |
| 1093 | I | 98.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 6% | 0.062 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.4 | -48.5 | 179.5 | -68.1 | 163.6 | 0 | 0 | 0 | 109.9 | K1089 N1090 G1095 K1096 V1097 L1132 L1133 N1135 I1136 | K1089-I1093 HydrophobicContact CG-CD1 3.99Å; K1089-I1093 WeakPolarHBondContact O-CG1 3.29Å; K1089-I1093 PolarHBondContact O-N 2.94Å; K1089-I1093 VanDerWaalsContact O-N 3.12Å; N1090-I1093 PolarHBondContact O-N 3.22Å; I1093-G1095 VanDerWaalsContact C-N 3.31Å; I1093-G1095 PolarHBondContact O-N 3.42Å; I1093-K1096 PolarHBondContact O-N 3.12Å; I1093-V1097 HydrophobicContact CG2-CG2 4.04Å; I1093-V1097 WeakPolarHBondContact O-CB 3.43Å; I1093-V1097 VanDerWaalsContact O-CG2 3.28Å; I1093-V1097 WeakPolarHBondContact O-CG2 3.32Å; I1093-V1097 PolarHBondContact O-N 2.91Å; I1093-L1132 HydrophobicContact CG2-CB 4.19Å; I1093-L1133 HydrophobicContact CG2-CD2 4.32Å; I1093-N1135 HydrophobicContact CD1-CB 3.74Å; I1093-I1136 HydrophobicContact CB-CD1 3.61Å; I1093-I1136 HydrophobicContact CB-CG1 4.42Å; I1093-I1136 HydrophobicContact CD1-CD1 3.94Å; I1093-I1136 HydrophobicContact CD1-CG1 4.46Å; I1093-I1136 HydrophobicContact CG1-CD1 4.39Å; I1093-I1136 HydrophobicContact CG2-CD1 3.54Å; I1093-I1136 HydrophobicContact CG2-CG1 3.84Å |
| 1094 | F | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.4 | -42.8 | 177 | -81.8 | -64 | 0 | 0 | 0 | 111.9 | R962 Y964 T974 N1090 F1098 C1100 I1136 V1141 | R962-F1094 HydrophobicContact CB-CD2 4.42Å; R962-F1094 HydrophobicContact CB-CE2 4.16Å; R962-F1094 HydrophobicContact CB-CZ 4.38Å; R962-F1094 VanDerWaalsContact CD-CD1 3.48Å; R962-F1094 VanDerWaalsContact CD-CG 3.42Å; R962-F1094 HydrophobicContact CG-CD1 4.03Å; R962-F1094 HydrophobicContact CG-CD2 4.17Å; R962-F1094 HydrophobicContact CG-CE1 3.88Å; R962-F1094 HydrophobicContact CG-CE2 4.02Å; R962-F1094 HydrophobicContact CG-CG 4.19Å; R962-F1094 HydrophobicContact CG-CZ 3.88Å; Y964-F1094 AromaticContact CD1-CE1 3.9Å; Y964-F1094 HydrophobicContact CD1-CE1 3.9Å; Y964-F1094 HydrophobicContact CD1-CZ 4.01Å; Y964-F1094 HydrophobicContact CG-CE1 4.48Å; T974-F1094 WeakPolarHBondContact OG1-CE1 2.98Å; N1090-F1094 HydrophobicContact CB-CD2 4.37Å; N1090-F1094 HydrophobicContact CB-CE2 4.43Å; N1090-F1094 WeakPolarHBondContact O-CD2 3.28Å; N1090-F1094 PolarHBondContact O-N 3.18Å; F1094-F1098 AromaticContact CD1-CD2 3.72Å; F1094-F1098 HydrophobicContact CD1-CD2 3.72Å; F1094-F1098 AromaticContact CD1-CE2 3.74Å; F1094-F1098 HydrophobicContact CD1-CE2 3.74Å; F1094-F1098 HydrophobicContact CE1-CD2 4.41Å; F1094-F1098 HydrophobicContact CE1-CE2 4Å; F1094-F1098 PolarHBondContact O-N 3.4Å; F1094-C1100 VanDerWaalsContact C-SG 3.6Å; F1094-C1100 PolarHBondContact O-SG 3.5Å; F1094-I1136 HydrophobicContact CD2-CD1 3.96Å; F1094-I1136 HydrophobicContact CE2-CD1 3.82Å; F1094-I1136 HydrophobicContact CE2-CG2 4.39Å; F1094-I1136 HydrophobicContact CZ-CD1 4.28Å; F1094-I1136 HydrophobicContact CZ-CG2 4.4Å; F1094-V1141 HydrophobicContact CD2-CG1 3.75Å; F1094-V1141 HydrophobicContact CE2-CG1 4.01Å |
| 1095 | G | 96.6 | Very high | 97 | Very high | 15 Ų | 15 | 33 Ų | 33 | 16% | 0.155 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58 | -49.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1091 E1092 I1093 N1099 | G1091-G1095 PolarHBondContact O-N 2.92Å; E1092-G1095 PolarHBondContact O-N 3.4Å; I1093-G1095 VanDerWaalsContact C-N 3.31Å; I1093-G1095 PolarHBondContact O-N 3.42Å; G1095-N1099 WeakPolarHBondContact O-CA 3.39Å; G1095-N1099 PolarHBondContact O-N 2.93Å; G1095-N1099 VanDerWaalsContact O-N 3.07Å |
| 1096 | K | 96.6 | Very high | 96.9 | Very high | 120 Ų | 120 | 31.2 Ų | 31.2 | 52% | 0.522 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -68 | -39.7 | -180 | -72 | 168.7 | -176.7 | 163.2 | 0 | 113.3 | E1092 I1093 L1121 | E1092-K1096 WeakPolarHBondContact O-CB 3.46Å; E1092-K1096 VanDerWaalsContact O-CG 3.3Å; E1092-K1096 WeakPolarHBondContact O-CG 3.39Å; E1092-K1096 PolarHBondContact O-N 3.27Å; E1092-K1096 IonicContact OE2-NZ 3.74Å; I1093-K1096 PolarHBondContact O-N 3.12Å; K1096-L1121 WeakPolarHBondContact O-CB 3.46Å |
| 1097 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -79.7 | -42.3 | -172.6 | 173.8 | 0 | 0 | 0 | 0 | 112.1 | I1093 L1121 I1122 A1129 L1132 L1133 | I1093-V1097 HydrophobicContact CG2-CG2 4.04Å; I1093-V1097 WeakPolarHBondContact O-CB 3.43Å; I1093-V1097 VanDerWaalsContact O-CG2 3.28Å; I1093-V1097 WeakPolarHBondContact O-CG2 3.32Å; I1093-V1097 PolarHBondContact O-N 2.91Å; V1097-L1121 PolarHBondContact O-N 3.29Å; V1097-I1122 HydrophobicContact CG1-CB 4Å; V1097-I1122 PolarHBondContact O-N 3.42Å; V1097-I1122 VanDerWaalsContact O-N 3.09Å; V1097-A1129 HydrophobicContact CG1-CB 3.97Å; V1097-L1132 HydrophobicContact CG2-CB 3.87Å; V1097-L1132 HydrophobicContact CG2-CD1 3.99Å; V1097-L1133 HydrophobicContact CB-CD2 4.37Å; V1097-L1133 HydrophobicContact CG1-CD1 4.13Å; V1097-L1133 HydrophobicContact CG1-CD2 4.04Å; V1097-L1133 HydrophobicContact CG1-CG 4.07Å; V1097-L1133 HydrophobicContact CG2-CD2 4.29Å; V1097-L1133 HydrophobicContact CG2-CG 4.35Å |
| 1098 | F | 97.9 | Very high | 96.8 | Very high | 23 Ų | 23 | 33.9 Ų | 33.9 | 10% | 0.101 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -117.7 | 0.9 | -168.8 | -59.8 | -77.5 | 0 | 0 | 0 | 114.6 | Y964 I972 T974 F1094 C1100 I1122 L1133 | Y964-F1098 HydrophobicContact CG-CZ 4.4Å; I972-F1098 HydrophobicContact CG2-CE1 4.07Å; I972-F1098 HydrophobicContact CG2-CZ 3.86Å; T974-F1098 HydrophobicContact CG2-CB 3.52Å; T974-F1098 HydrophobicContact CG2-CD1 3.62Å; T974-F1098 HydrophobicContact CG2-CD2 3.59Å; T974-F1098 HydrophobicContact CG2-CE1 4.15Å; T974-F1098 HydrophobicContact CG2-CE2 4.09Å; T974-F1098 HydrophobicContact CG2-CG 3.31Å; T974-F1098 HydrophobicContact CG2-CZ 4.36Å; F1094-F1098 AromaticContact CD1-CD2 3.72Å; F1094-F1098 HydrophobicContact CD1-CD2 3.72Å; F1094-F1098 AromaticContact CD1-CE2 3.74Å; F1094-F1098 HydrophobicContact CD1-CE2 3.74Å; F1094-F1098 HydrophobicContact CE1-CD2 4.41Å; F1094-F1098 HydrophobicContact CE1-CE2 4Å; F1094-F1098 PolarHBondContact O-N 3.4Å; F1098-C1100 PolarHBondContact O-N 3.48Å; F1098-I1122 HydrophobicContact CD1-CB 4.47Å; F1098-I1122 HydrophobicContact CD1-CG2 3.91Å; F1098-I1122 HydrophobicContact CE1-CB 4.4Å; F1098-I1122 HydrophobicContact CE1-CG1 4.37Å; F1098-I1122 HydrophobicContact CE1-CG2 4.18Å; F1098-L1133 HydrophobicContact CE2-CD1 4.47Å; F1098-L1133 HydrophobicContact CE2-CD2 3.6Å; F1098-L1133 HydrophobicContact CZ-CD1 4.02Å; F1098-L1133 HydrophobicContact CZ-CD2 3.97Å |
| 1099 | N | 97 | Very high | 96.7 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 14% | 0.144 | 18% | 0.181 | C | C | . | . | trans | 55.6 | 41.9 | -175.7 | -68.4 | -2 | 0 | 0 | 0 | 111.9 | G1095 R1115 E1118 V1119 P1120 | G1095-N1099 WeakPolarHBondContact O-CA 3.39Å; G1095-N1099 PolarHBondContact O-N 2.93Å; G1095-N1099 VanDerWaalsContact O-N 3.07Å; N1099-R1115 HydrophobicContact CB-CG 4.41Å; N1099-R1115 WeakPolarHBondContact O-CG 2.88Å; N1099-E1118 VanDerWaalsContact ND2-CB 3.31Å; N1099-E1118 WeakPolarHBondContact ND2-CB 3.34Å; N1099-E1118 PolarHBondContact ND2-O 3.16Å; N1099-E1118 VanDerWaalsContact ND2-O 3.15Å; N1099-V1119 PolarHBondContact ND2-O 2.89Å; N1099-P1120 HydrophobicContact CB-CG 4.35Å; N1099-P1120 WeakPolarHBondContact ND2-CA 3.49Å | ||
| 1100 | C | 96.5 | Very high | 96.6 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 4% | 0.041 | 19% | 0.194 | C | C | . | . | trans | -55.6 | 146.6 | -169.8 | -69.7 | 0 | 0 | 0 | 0 | 113.8 | R962 F1094 F1098 S1103 | R962-C1100 PolarHBondContact NH1-SG 3.47Å; F1094-C1100 VanDerWaalsContact C-SG 3.6Å; F1094-C1100 PolarHBondContact O-SG 3.5Å; F1098-C1100 PolarHBondContact O-N 3.48Å; C1100-S1103 WeakPolarHBondContact O-CB 3.38Å | ||
| 1101 | I | 95.5 | Very high | 96.5 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -123.4 | 129.2 | 164.5 | -58.1 | -177.3 | 0 | 0 | 0 | 107.2 | V915 R962 L1106 C1112 R1115 R1116 F1147 | V915-I1101 HydrophobicContact CG1-CG2 3.51Å; R962-I1101 PolarHBondContact NH2-O 3.43Å; I1101-L1106 HydrophobicContact CG1-CD1 3.92Å; I1101-C1112 HydrophobicContact CD1-CB 4.16Å; I1101-C1112 WeakPolarHBondContact CD1-O 3.32Å; I1101-R1115 HydrophobicContact CD1-CB 4.34Å; I1101-R1115 HydrophobicContact CD1-CG 4.14Å; I1101-R1115 HydrophobicContact CG1-CG 3.98Å; I1101-R1116 HydrophobicContact CD1-CG 3.66Å; I1101-F1147 HydrophobicContact CG2-CE2 3.91Å; I1101-F1147 HydrophobicContact CG2-CZ 3.82Å |
| 1102 | P | 96.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.019 | 21% | 0.206 | C | C | . | . | S | Bend | cis | -74.1 | 161.5 | -3.3 | 33.8 | -33.2 | 0 | 0 | 0 | 112 | S907 L908 Y1144 F1147 | S907-P1102 WeakPolarHBondContact OG-CG 3.34Å; L908-P1102 HydrophobicContact CD2-CG 4.36Å; L908-P1102 HydrophobicContact CG-CG 4.21Å; P1102-Y1144 HydrophobicContact CB-CD2 4.13Å; P1102-Y1144 HydrophobicContact CG-CD2 4.04Å; P1102-Y1144 VanDerWaalsContact O-CE2 3.25Å; P1102-Y1144 WeakPolarHBondContact O-CE2 3.17Å; P1102-F1147 HydrophobicContact CB-CB 4.2Å; P1102-F1147 HydrophobicContact CB-CD1 3.58Å; P1102-F1147 HydrophobicContact CB-CD2 3.48Å; P1102-F1147 VanDerWaalsContact CB-CD2 3.48Å; P1102-F1147 HydrophobicContact CB-CE1 3.71Å; P1102-F1147 HydrophobicContact CB-CE2 3.63Å; P1102-F1147 HydrophobicContact CB-CG 3.45Å; P1102-F1147 VanDerWaalsContact CB-CG 3.45Å; P1102-F1147 HydrophobicContact CB-CZ 3.74Å |
| 1103 | S | 94.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 37.3 Ų | 37.3 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | trans | -149.1 | 163.4 | 169.1 | 77 | 0 | 0 | 0 | 0 | 109.5 | C1100 L1106 R1115 | C1100-S1103 WeakPolarHBondContact O-CB 3.38Å; S1103-L1106 VanDerWaalsContact OG-CD1 3.28Å; S1103-L1106 WeakPolarHBondContact OG-CD1 3.34Å; S1103-L1106 WeakPolarHBondContact OG-CG 3.3Å; S1103-R1115 PolarHBondContact OG-NH1 2.76Å | ||
| 1104 | S | 93.4 | Very high | 96.3 | Very high | 72 Ų | 72 | 40.9 Ų | 40.9 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 149.9 | 169.5 | -179 | 0 | 0 | 0 | 0 | 111.3 | L1106 D1146 | S1104-L1106 PolarHBondContact O-N 3.45Å; S1104-D1146 WeakPolarHBondContact CA-OD2 3.44Å; S1104-D1146 PolarHBondContact OG-OD2 3.09Å |
| 1105 | G | 93.6 | Very high | 96.2 | Very high | 38 Ų | 38 | 43.1 Ų | 43.1 | 39% | 0.392 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -7.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1107 D1146 | G1105-L1107 VanDerWaalsContact C-N 3.32Å; G1105-L1107 PolarHBondContact O-N 3.4Å; G1105-L1107 VanDerWaalsContact O-N 3.11Å; G1105-D1146 PolarHBondContact N-OD2 3.23Å |
| 1106 | L | 96.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | trans | -85.1 | 75.8 | 174.2 | -64.7 | -179.5 | 0 | 0 | 0 | 110.1 | I1101 S1103 S1104 Q1111 R1115 F1147 L1148 | I1101-L1106 HydrophobicContact CG1-CD1 3.92Å; S1103-L1106 VanDerWaalsContact OG-CD1 3.28Å; S1103-L1106 WeakPolarHBondContact OG-CD1 3.34Å; S1103-L1106 WeakPolarHBondContact OG-CG 3.3Å; S1104-L1106 PolarHBondContact O-N 3.45Å; L1106-Q1111 HydrophobicContact CD2-CB 3.99Å; L1106-R1115 HydrophobicContact CD1-CG 4.27Å; L1106-R1115 HydrophobicContact CD2-CB 3.99Å; L1106-R1115 HydrophobicContact CD2-CG 4.37Å; L1106-F1147 HydrophobicContact CB-CD2 3.85Å; L1106-F1147 HydrophobicContact CB-CE2 3.99Å; L1106-F1147 HydrophobicContact CD1-CE2 4.27Å; L1106-F1147 WeakPolarHBondContact O-CD2 3.4Å; L1106-L1148 PolarHBondContact O-N 3.31Å | ||
| 1107 | L | 96.6 | Very high | 96 | Very high | 48 Ų | 48 | 46.8 Ų | 46.8 | 25% | 0.251 | 24% | 0.241 | S | C | . | . | trans | -79.6 | -20.5 | -175.1 | -49.2 | -178.2 | 0 | 0 | 0 | 113.6 | G1105 D1146 L1148 A1149 D1150 | G1105-L1107 VanDerWaalsContact C-N 3.32Å; G1105-L1107 PolarHBondContact O-N 3.4Å; G1105-L1107 VanDerWaalsContact O-N 3.11Å; L1107-D1146 HydrophobicContact CD2-CB 3.92Å; L1107-D1146 VanDerWaalsContact CD2-O 3.27Å; L1107-D1146 WeakPolarHBondContact CD2-O 3.42Å; L1107-L1148 CarbonylContact O-C 3.42Å; L1107-L1148 VanDerWaalsContact O-C 3.28Å; L1107-L1148 WeakPolarHBondContact O-CA 3.33Å; L1107-A1149 HydrophobicContact CD2-CB 4.45Å; L1107-A1149 PolarHBondContact O-N 3.07Å; L1107-D1150 HydrophobicContact CB-CB 4.22Å; L1107-D1150 WeakPolarHBondContact CB-OD2 3.17Å; L1107-D1150 WeakPolarHBondContact CD1-OD2 3.22Å; L1107-D1150 PolarHBondContact O-N 3.42Å; L1107-D1150 VanDerWaalsContact O-N 3.13Å | ||
| 1108 | T | 97 | Very high | 95.9 | Very high | 31 Ų | 31 | 51.2 Ų | 51.2 | 19% | 0.19 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -130.4 | 159.1 | -173.2 | 63 | 0 | 0 | 0 | 0 | 114.4 | R1110 Q1111 C1112 D1150 E1151 | T1108-R1110 VanDerWaalsContact C-N 3.25Å; T1108-R1110 PolarHBondContact O-N 3.12Å; T1108-Q1111 PolarHBondContact O-N 2.72Å; T1108-Q1111 WeakPolarHBondContact OG1-CB 3.15Å; T1108-Q1111 VanDerWaalsContact OG1-CD 3.31Å; T1108-Q1111 VanDerWaalsContact OG1-CG 3.23Å; T1108-Q1111 WeakPolarHBondContact OG1-CG 3.25Å; T1108-Q1111 PolarHBondContact OG1-N 3.33Å; T1108-Q1111 VanDerWaalsContact OG1-N 3.15Å; T1108-Q1111 PolarHBondContact OG1-OE1 2.79Å; T1108-C1112 PolarHBondContact O-N 2.94Å; T1108-C1112 VanDerWaalsContact O-N 3.12Å; T1108-C1112 PolarHBondContact O-SG 2.72Å; T1108-C1112 VanDerWaalsContact O-SG 3.33Å; T1108-D1150 HydrophobicContact CG2-CB 4.03Å; T1108-E1151 WeakPolarHBondContact CA-OE1 3.29Å; T1108-E1151 VanDerWaalsContact CB-OE1 3.3Å; T1108-E1151 WeakPolarHBondContact CB-OE1 3.37Å |
| 1109 | F | 95.4 | Very high | 95.8 | Very high | 60 Ų | 60 | 54.7 Ų | 54.7 | 26% | 0.263 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.7 | -37 | 171.4 | -68.9 | -17.6 | 0 | 0 | 0 | 111.6 | G916 H924 C1112 A1113 L1148 E1151 L1153 | G916-F1109 VanDerWaalsContact CA-CD1 3.45Å; H924-F1109 AromaticContact CD2-CE1 3.97Å; H924-F1109 AromaticContact CE1-CE1 3.72Å; H924-F1109 AromaticContact CE1-CZ 3.62Å; H924-F1109 AromaticContact NE2-CE1 3.29Å; H924-F1109 VanDerWaalsContact NE2-CE1 3.29Å; H924-F1109 WeakPolarHBondContact NE2-CE1 3.26Å; H924-F1109 AromaticContact NE2-CZ 3.64Å; F1109-C1112 WeakPolarHBondContact O-CB 3.46Å; F1109-C1112 PolarHBondContact O-N 2.96Å; F1109-A1113 PolarHBondContact O-N 3.04Å; F1109-L1148 HydrophobicContact CD1-CD1 4.28Å; F1109-L1148 HydrophobicContact CD1-CD2 3.61Å; F1109-L1148 HydrophobicContact CE1-CD1 3.9Å; F1109-L1148 HydrophobicContact CE1-CD2 3.99Å; F1109-L1148 HydrophobicContact CE1-CG 4.5Å; F1109-E1151 HydrophobicContact CD1-CG 4.01Å; F1109-E1151 HydrophobicContact CE1-CB 4.28Å; F1109-E1151 HydrophobicContact CE1-CG 4.26Å; F1109-E1151 HydrophobicContact CG-CG 4.16Å; F1109-E1151 HydrophobicContact CZ-CB 4.43Å; F1109-E1151 PolarHBondContact N-OE1 3.05Å; F1109-L1153 HydrophobicContact CE1-CD2 3.84Å; F1109-L1153 HydrophobicContact CZ-CD2 3.93Å |
| 1110 | R | 96.5 | Very high | 95.8 | Very high | 182 Ų | 182 | 54.8 Ų | 54.8 | 69% | 0.687 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.2 | -49.2 | 175 | 179.7 | 178.5 | 171.6 | 169.4 | 0.4 | 111.3 | T1108 C1112 A1113 E1114 | T1108-R1110 VanDerWaalsContact C-N 3.25Å; T1108-R1110 PolarHBondContact O-N 3.12Å; R1110-C1112 VanDerWaalsContact C-N 3.27Å; R1110-C1112 PolarHBondContact O-N 2.66Å; R1110-A1113 WeakPolarHBondContact O-CB 3.44Å; R1110-A1113 PolarHBondContact O-N 3.12Å; R1110-E1114 HydrophobicContact CG-CG 4.46Å; R1110-E1114 WeakPolarHBondContact CG-OE1 3.3Å; R1110-E1114 IonicContact CZ-OE1 2.88Å; R1110-E1114 IonicContact NE-OE1 2.73Å; R1110-E1114 PolarHBondContact NE-OE1 3.21Å; R1110-E1114 IonicContact NH2-OE1 2.79Å; R1110-E1114 PolarHBondContact NH2-OE1 3Å; R1110-E1114 WeakPolarHBondContact O-CG 3.31Å; R1110-E1114 PolarHBondContact O-N 3.26Å |
| 1111 | Q | 97.1 | Very high | 95.8 | Very high | 62 Ų | 62 | 56 Ų | 56 | 29% | 0.29 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.9 | -35.7 | 176.8 | -74.8 | 164.6 | -32.3 | 0 | 0 | 112.1 | L1106 T1108 A1113 E1114 R1115 | L1106-Q1111 HydrophobicContact CD2-CB 3.99Å; T1108-Q1111 PolarHBondContact O-N 2.72Å; T1108-Q1111 WeakPolarHBondContact OG1-CB 3.15Å; T1108-Q1111 VanDerWaalsContact OG1-CD 3.31Å; T1108-Q1111 VanDerWaalsContact OG1-CG 3.23Å; T1108-Q1111 WeakPolarHBondContact OG1-CG 3.25Å; T1108-Q1111 PolarHBondContact OG1-N 3.33Å; T1108-Q1111 VanDerWaalsContact OG1-N 3.15Å; T1108-Q1111 PolarHBondContact OG1-OE1 2.79Å; Q1111-A1113 VanDerWaalsContact C-N 3.34Å; Q1111-E1114 PolarHBondContact O-N 3.05Å; Q1111-R1115 VanDerWaalsContact O-CB 3.22Å; Q1111-R1115 WeakPolarHBondContact O-CB 3.46Å; Q1111-R1115 PolarHBondContact O-N 2.73Å |
| 1112 | C | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 173 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | I1101 T1108 F1109 R1110 R1116 | I1101-C1112 HydrophobicContact CD1-CB 4.16Å; I1101-C1112 WeakPolarHBondContact CD1-O 3.32Å; T1108-C1112 PolarHBondContact O-N 2.94Å; T1108-C1112 VanDerWaalsContact O-N 3.12Å; T1108-C1112 PolarHBondContact O-SG 2.72Å; T1108-C1112 VanDerWaalsContact O-SG 3.33Å; F1109-C1112 WeakPolarHBondContact O-CB 3.46Å; F1109-C1112 PolarHBondContact O-N 2.96Å; R1110-C1112 VanDerWaalsContact C-N 3.27Å; R1110-C1112 PolarHBondContact O-N 2.66Å; C1112-R1116 WeakPolarHBondContact O-CG 3.08Å; C1112-R1116 PolarHBondContact O-N 2.93Å; C1112-R1116 PolarHBondContact O-NE 3.31Å |
| 1113 | A | 95.9 | Very high | 95.8 | Very high | 44 Ų | 44 | 61.6 Ų | 61.6 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.4 | -43.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1109 R1110 Q1111 R1116 N1117 | F1109-A1113 PolarHBondContact O-N 3.04Å; R1110-A1113 WeakPolarHBondContact O-CB 3.44Å; R1110-A1113 PolarHBondContact O-N 3.12Å; Q1111-A1113 VanDerWaalsContact C-N 3.34Å; A1113-R1116 PolarHBondContact O-N 2.77Å; A1113-N1117 PolarHBondContact O-N 3.43Å; A1113-N1117 PolarHBondContact O-ND2 2.76Å; A1113-N1117 VanDerWaalsContact O-ND2 3.14Å |
| 1114 | E | 97 | Very high | 95.9 | Very high | 86 Ų | 86 | 65 Ų | 65 | 40% | 0.402 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.9 | -49.8 | 175 | -71 | 169.2 | 175.6 | 0 | 0 | 110.8 | R1110 Q1111 R1116 N1117 E1118 | R1110-E1114 HydrophobicContact CG-CG 4.46Å; R1110-E1114 WeakPolarHBondContact CG-OE1 3.3Å; R1110-E1114 IonicContact CZ-OE1 2.88Å; R1110-E1114 IonicContact NE-OE1 2.73Å; R1110-E1114 PolarHBondContact NE-OE1 3.21Å; R1110-E1114 IonicContact NH2-OE1 2.79Å; R1110-E1114 PolarHBondContact NH2-OE1 3Å; R1110-E1114 WeakPolarHBondContact O-CG 3.31Å; R1110-E1114 PolarHBondContact O-N 3.26Å; Q1111-E1114 PolarHBondContact O-N 3.05Å; E1114-R1116 VanDerWaalsContact C-N 3.27Å; E1114-R1116 PolarHBondContact O-N 2.87Å; E1114-N1117 PolarHBondContact O-N 2.96Å; E1114-E1118 PolarHBondContact O-N 3.01Å |
| 1115 | R | 96.3 | Very high | 96 | Very high | 48 Ų | 48 | 64.7 Ų | 64.7 | 18% | 0.181 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -55.3 | -37 | 176.6 | 176.5 | 58.5 | 62.1 | 71.7 | 3.4 | 113.6 | N1099 I1101 S1103 L1106 Q1111 N1117 E1118 | N1099-R1115 HydrophobicContact CB-CG 4.41Å; N1099-R1115 WeakPolarHBondContact O-CG 2.88Å; I1101-R1115 HydrophobicContact CD1-CB 4.34Å; I1101-R1115 HydrophobicContact CD1-CG 4.14Å; I1101-R1115 HydrophobicContact CG1-CG 3.98Å; S1103-R1115 PolarHBondContact OG-NH1 2.76Å; L1106-R1115 HydrophobicContact CD1-CG 4.27Å; L1106-R1115 HydrophobicContact CD2-CB 3.99Å; L1106-R1115 HydrophobicContact CD2-CG 4.37Å; Q1111-R1115 VanDerWaalsContact O-CB 3.22Å; Q1111-R1115 WeakPolarHBondContact O-CB 3.46Å; Q1111-R1115 PolarHBondContact O-N 2.73Å; R1115-N1117 VanDerWaalsContact C-N 3.3Å; R1115-N1117 PolarHBondContact O-N 3.39Å; R1115-E1118 VanDerWaalsContact CD-OE2 3.27Å; R1115-E1118 WeakPolarHBondContact CD-OE2 3.25Å; R1115-E1118 IonicContact NE-OE2 3.64Å; R1115-E1118 PolarHBondContact NE-OE2 3.04Å; R1115-E1118 VanDerWaalsContact NE-OE2 3.11Å; R1115-E1118 PolarHBondContact O-N 3.34Å |
| 1116 | R | 94 | Very high | 96.1 | Very high | 74 Ų | 74 | 67.7 Ų | 67.7 | 28% | 0.279 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -69.3 | -27.5 | 177.3 | -81.7 | -179.9 | -81.7 | -120.3 | -3.3 | 114 | E914 V915 I1101 C1112 A1113 E1114 | E914-R1116 VanDerWaalsContact CD-NH1 3.27Å; E914-R1116 WeakPolarHBondContact OE1-CD 3.32Å; E914-R1116 IonicContact OE1-CZ 3.15Å; E914-R1116 IonicContact OE1-NE 3.97Å; E914-R1116 PolarHBondContact OE1-NE 3.33Å; E914-R1116 IonicContact OE1-NH1 3.09Å; E914-R1116 PolarHBondContact OE1-NH1 3.19Å; V915-R1116 PolarHBondContact O-NH1 3.42Å; V915-R1116 PolarHBondContact O-NH2 2.97Å; I1101-R1116 HydrophobicContact CD1-CG 3.66Å; C1112-R1116 WeakPolarHBondContact O-CG 3.08Å; C1112-R1116 PolarHBondContact O-N 2.93Å; C1112-R1116 PolarHBondContact O-NE 3.31Å; A1113-R1116 PolarHBondContact O-N 2.77Å; E1114-R1116 VanDerWaalsContact C-N 3.27Å; E1114-R1116 PolarHBondContact O-N 2.87Å |
| 1117 | N | 95.5 | Very high | 96.1 | Very high | 137 Ų | 137 | 75.5 Ų | 75.5 | 73% | 0.733 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -85.3 | -13.5 | 179 | -66.5 | -37.6 | 0 | 0 | 0 | 112.4 | A1113 E1114 R1115 | A1113-N1117 PolarHBondContact O-N 3.43Å; A1113-N1117 PolarHBondContact O-ND2 2.76Å; A1113-N1117 VanDerWaalsContact O-ND2 3.14Å; E1114-N1117 PolarHBondContact O-N 2.96Å; R1115-N1117 VanDerWaalsContact C-N 3.3Å; R1115-N1117 PolarHBondContact O-N 3.39Å |
| 1118 | E | 95.9 | Very high | 96.1 | Very high | 93 Ų | 93 | 78.8 Ų | 78.8 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -70.8 | 134.2 | 174.6 | -68.1 | 168.6 | -172.6 | 0 | 0 | 111 | N1099 E1114 R1115 P1120 | N1099-E1118 VanDerWaalsContact ND2-CB 3.31Å; N1099-E1118 WeakPolarHBondContact ND2-CB 3.34Å; N1099-E1118 PolarHBondContact ND2-O 3.16Å; N1099-E1118 VanDerWaalsContact ND2-O 3.15Å; E1114-E1118 PolarHBondContact O-N 3.01Å; R1115-E1118 VanDerWaalsContact CD-OE2 3.27Å; R1115-E1118 WeakPolarHBondContact CD-OE2 3.25Å; R1115-E1118 IonicContact NE-OE2 3.64Å; R1115-E1118 PolarHBondContact NE-OE2 3.04Å; R1115-E1118 VanDerWaalsContact NE-OE2 3.11Å; R1115-E1118 PolarHBondContact O-N 3.34Å; E1118-P1120 VanDerWaalsContact O-CD 3.25Å; E1118-P1120 WeakPolarHBondContact O-CD 3.28Å |
| 1119 | V | 96.1 | Very high | 96.1 | Very high | 96 Ų | 96 | 77.3 Ų | 77.3 | 58% | 0.582 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 119.2 | 174.2 | -178.6 | 0 | 0 | 0 | 0 | 109.3 | N1099 I1123 | N1099-V1119 PolarHBondContact ND2-O 2.89Å; V1119-I1123 HydrophobicContact CG1-CB 3.91Å; V1119-I1123 HydrophobicContact CG1-CG2 3.92Å |
| 1120 | P | 96.5 | Very high | 96.2 | Very high | 29 Ų | 29 | 76.6 Ų | 76.6 | 19% | 0.188 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 150.1 | 178.6 | -23.8 | 35.6 | 0 | 0 | 0 | 112.8 | N1099 E1118 I1122 I1123 S1124 | N1099-P1120 HydrophobicContact CB-CG 4.35Å; N1099-P1120 WeakPolarHBondContact ND2-CA 3.49Å; E1118-P1120 VanDerWaalsContact O-CD 3.25Å; E1118-P1120 WeakPolarHBondContact O-CD 3.28Å; P1120-I1122 HydrophobicContact CB-CG2 3.93Å; P1120-I1122 PolarHBondContact O-N 2.88Å; P1120-I1123 HydrophobicContact CG-CD1 4.48Å; P1120-I1123 PolarHBondContact O-N 3.31Å; P1120-S1124 PolarHBondContact O-N 3.42Å; P1120-S1124 VanDerWaalsContact O-N 3.08Å; P1120-S1124 PolarHBondContact O-OG 2.71Å |
| 1121 | L | 97.5 | Very high | 96.2 | Very high | 31 Ų | 31 | 72.9 Ų | 72.9 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.2 | -34.9 | 177.7 | -172.4 | 70.8 | 0 | 0 | 0 | 112.4 | K1096 V1097 I1123 S1124 D1125 K1128 A1129 L1132 | K1096-L1121 WeakPolarHBondContact O-CB 3.46Å; V1097-L1121 PolarHBondContact O-N 3.29Å; L1121-I1123 PolarHBondContact O-N 3.02Å; L1121-I1123 VanDerWaalsContact O-N 3.11Å; L1121-S1124 WeakPolarHBondContact CA-OG 3.3Å; L1121-S1124 PolarHBondContact O-N 3.44Å; L1121-D1125 HydrophobicContact CD1-CB 3.86Å; L1121-D1125 CarbonylContact O-C 3.2Å; L1121-D1125 PolarHBondContact O-N 3.42Å; L1121-D1125 VanDerWaalsContact O-O 3.08Å; L1121-K1128 HydrophobicContact CD1-CD 4.36Å; L1121-K1128 HydrophobicContact CD2-CD 4.42Å; L1121-K1128 HydrophobicContact CD2-CG 4.28Å; L1121-A1129 HydrophobicContact CD2-CB 4.33Å; L1121-A1129 HydrophobicContact CG-CB 4.18Å; L1121-L1132 HydrophobicContact CD2-CD1 3.64Å |
| 1122 | I | 96.7 | Very high | 96.2 | Very high | 21 Ų | 21 | 72.1 Ų | 72.1 | 11% | 0.108 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.8 | -22.6 | 176.6 | -169.9 | 58.3 | 0 | 0 | 0 | 113.6 | I972 V1097 F1098 P1120 R1126 A1129 | I972-I1122 HydrophobicContact CB-CD1 4.03Å; I972-I1122 HydrophobicContact CB-CG1 4.13Å; I972-I1122 HydrophobicContact CD1-CD1 4.1Å; I972-I1122 HydrophobicContact CG1-CD1 4.4Å; V1097-I1122 HydrophobicContact CG1-CB 4Å; V1097-I1122 PolarHBondContact O-N 3.42Å; V1097-I1122 VanDerWaalsContact O-N 3.09Å; F1098-I1122 HydrophobicContact CD1-CB 4.47Å; F1098-I1122 HydrophobicContact CD1-CG2 3.91Å; F1098-I1122 HydrophobicContact CE1-CB 4.4Å; F1098-I1122 HydrophobicContact CE1-CG1 4.37Å; F1098-I1122 HydrophobicContact CE1-CG2 4.18Å; P1120-I1122 HydrophobicContact CB-CG2 3.93Å; P1120-I1122 PolarHBondContact O-N 2.88Å; I1122-R1126 HydrophobicContact CD1-CG 4.39Å; I1122-A1129 HydrophobicContact CB-CB 4.13Å; I1122-A1129 HydrophobicContact CD1-CB 3.7Å |
| 1123 | I | 94.6 | Very high | 96.3 | Very high | 128 Ų | 128 | 72.3 Ų | 72.3 | 66% | 0.656 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -94 | -43.9 | 175.7 | -57 | -173.4 | 0 | 0 | 0 | 110.9 | V1119 P1120 L1121 | V1119-I1123 HydrophobicContact CG1-CB 3.91Å; V1119-I1123 HydrophobicContact CG1-CG2 3.92Å; P1120-I1123 HydrophobicContact CG-CD1 4.48Å; P1120-I1123 PolarHBondContact O-N 3.31Å; L1121-I1123 PolarHBondContact O-N 3.02Å; L1121-I1123 VanDerWaalsContact O-N 3.11Å |
| 1124 | S | 95.7 | Very high | 96.3 | Very high | 81 Ų | 81 | 76.8 Ų | 76.8 | 57% | 0.566 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -79.4 | -34 | -174.5 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | P1120 L1121 | P1120-S1124 PolarHBondContact O-N 3.42Å; P1120-S1124 VanDerWaalsContact O-N 3.08Å; P1120-S1124 PolarHBondContact O-OG 2.71Å; L1121-S1124 WeakPolarHBondContact CA-OG 3.3Å; L1121-S1124 PolarHBondContact O-N 3.44Å |
| 1125 | D | 96.5 | Very high | 96.3 | Very high | 65 Ų | 65 | 76 Ų | 76 | 35% | 0.348 | 38% | 0.377 | S | S | . | . | trans | -147.8 | 83.2 | 178.9 | -178 | -8.5 | 0 | 0 | 0 | 109.9 | L1121 E1127 K1128 A1129 | L1121-D1125 HydrophobicContact CD1-CB 3.86Å; L1121-D1125 CarbonylContact O-C 3.2Å; L1121-D1125 PolarHBondContact O-N 3.42Å; L1121-D1125 VanDerWaalsContact O-O 3.08Å; D1125-E1127 VanDerWaalsContact C-N 3.34Å; D1125-E1127 PolarHBondContact O-N 3.47Å; D1125-K1128 HydrophobicContact CB-CB 4.3Å; D1125-K1128 PolarHBondContact O-N 3.33Å; D1125-K1128 WeakPolarHBondContact OD1-CB 3.48Å; D1125-K1128 PolarHBondContact OD1-N 3.21Å; D1125-K1128 VanDerWaalsContact OD1-N 3.11Å; D1125-K1128 WeakPolarHBondContact OD2-CB 3.39Å; D1125-K1128 WeakPolarHBondContact OD2-CD 3.23Å; D1125-A1129 WeakPolarHBondContact O-CB 3.22Å; D1125-A1129 PolarHBondContact O-N 3.34Å | ||
| 1126 | R | 94.5 | Very high | 96.3 | Very high | 100 Ų | 100 | 74.9 Ų | 74.9 | 38% | 0.377 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.3 | -40.4 | -176 | -179.4 | -179.1 | 171.3 | 84.6 | -0.3 | 112.6 | E966 G970 I1122 A1129 V1130 | E966-R1126 IonicContact OE1-NH2 2.76Å; E966-R1126 PolarHBondContact OE1-NH2 2.96Å; G970-R1126 PolarHBondContact O-NH1 3.19Å; G970-R1126 PolarHBondContact O-NH2 3.31Å; I1122-R1126 HydrophobicContact CD1-CG 4.39Å; R1126-A1129 PolarHBondContact O-N 3.39Å; R1126-V1130 HydrophobicContact CG-CG2 4.15Å; R1126-V1130 WeakPolarHBondContact O-CB 3.3Å; R1126-V1130 VanDerWaalsContact O-CG2 3.29Å; R1126-V1130 WeakPolarHBondContact O-CG2 3.3Å; R1126-V1130 PolarHBondContact O-N 3.5Å |
| 1127 | E | 96.1 | Very high | 96.2 | Very high | 169 Ų | 169 | 77.9 Ų | 77.9 | 79% | 0.79 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.9 | -48 | -176.3 | -68 | -177.5 | -179.2 | 0 | 0 | 110.5 | D1125 A1129 V1130 E1131 | D1125-E1127 VanDerWaalsContact C-N 3.34Å; D1125-E1127 PolarHBondContact O-N 3.47Å; E1127-A1129 PolarHBondContact O-N 3.26Å; E1127-V1130 PolarHBondContact O-N 3.02Å; E1127-E1131 PolarHBondContact O-N 3.11Å |
| 1128 | K | 97 | Very high | 96.2 | Very high | 117 Ų | 117 | 72 Ų | 72 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 175.5 | -173.3 | 177.1 | 179.2 | 179.1 | 0 | 112.4 | L1121 D1125 E1131 L1132 | L1121-K1128 HydrophobicContact CD1-CD 4.36Å; L1121-K1128 HydrophobicContact CD2-CD 4.42Å; L1121-K1128 HydrophobicContact CD2-CG 4.28Å; D1125-K1128 HydrophobicContact CB-CB 4.3Å; D1125-K1128 PolarHBondContact O-N 3.33Å; D1125-K1128 WeakPolarHBondContact OD1-CB 3.48Å; D1125-K1128 PolarHBondContact OD1-N 3.21Å; D1125-K1128 VanDerWaalsContact OD1-N 3.11Å; D1125-K1128 WeakPolarHBondContact OD2-CB 3.39Å; D1125-K1128 WeakPolarHBondContact OD2-CD 3.23Å; K1128-E1131 PolarHBondContact O-N 3.5Å; K1128-L1132 WeakPolarHBondContact O-CG 3.5Å; K1128-L1132 PolarHBondContact O-N 3.07Å |
| 1129 | A | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.9 | -48 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | V1097 L1121 I1122 D1125 R1126 E1127 E1131 L1132 L1133 | V1097-A1129 HydrophobicContact CG1-CB 3.97Å; L1121-A1129 HydrophobicContact CD2-CB 4.33Å; L1121-A1129 HydrophobicContact CG-CB 4.18Å; I1122-A1129 HydrophobicContact CB-CB 4.13Å; I1122-A1129 HydrophobicContact CD1-CB 3.7Å; D1125-A1129 WeakPolarHBondContact O-CB 3.22Å; D1125-A1129 PolarHBondContact O-N 3.34Å; R1126-A1129 PolarHBondContact O-N 3.39Å; E1127-A1129 PolarHBondContact O-N 3.26Å; A1129-E1131 VanDerWaalsContact C-N 3.3Å; A1129-E1131 PolarHBondContact O-N 3.01Å; A1129-L1132 PolarHBondContact O-N 3.21Å; A1129-L1133 VanDerWaalsContact O-CG 3.29Å; A1129-L1133 WeakPolarHBondContact O-CG 3.41Å; A1129-L1133 PolarHBondContact O-N 3.29Å |
| 1130 | V | 97 | Very high | 96.4 | Very high | 46 Ų | 46 | 64.4 Ų | 64.4 | 28% | 0.279 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 177.8 | 170.4 | 0 | 0 | 0 | 0 | 111 | I972 R1126 E1127 L1133 K1134 | I972-V1130 HydrophobicContact CD1-CG2 3.83Å; R1126-V1130 HydrophobicContact CG-CG2 4.15Å; R1126-V1130 WeakPolarHBondContact O-CB 3.3Å; R1126-V1130 VanDerWaalsContact O-CG2 3.29Å; R1126-V1130 WeakPolarHBondContact O-CG2 3.3Å; R1126-V1130 PolarHBondContact O-N 3.5Å; E1127-V1130 PolarHBondContact O-N 3.02Å; V1130-L1133 PolarHBondContact O-N 2.79Å; V1130-K1134 WeakPolarHBondContact O-CG 3.42Å; V1130-K1134 PolarHBondContact O-N 3.18Å |
| 1131 | E | 97.3 | Very high | 96.5 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 48% | 0.481 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 176.2 | -169 | 57.9 | -152.6 | 0 | 0 | 112.5 | E1127 K1128 A1129 K1134 N1135 | E1127-E1131 PolarHBondContact O-N 3.11Å; K1128-E1131 PolarHBondContact O-N 3.5Å; A1129-E1131 VanDerWaalsContact C-N 3.3Å; A1129-E1131 PolarHBondContact O-N 3.01Å; E1131-K1134 PolarHBondContact O-N 2.64Å; E1131-K1134 WeakPolarHBondContact OE2-CD 3.47Å; E1131-K1134 WeakPolarHBondContact OE2-CE 3.48Å; E1131-K1134 IonicContact OE2-NZ 3.42Å; E1131-K1134 PolarHBondContact OE2-NZ 3.28Å; E1131-N1135 PolarHBondContact O-ND2 2.94Å |
| 1132 | L | 98 | Very high | 96.5 | Very high | 47 Ų | 47 | 62.9 Ų | 62.9 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 173.1 | -70.2 | 174.3 | 0 | 0 | 0 | 111.8 | I1093 V1097 L1121 K1128 A1129 K1134 N1135 | I1093-L1132 HydrophobicContact CG2-CB 4.19Å; V1097-L1132 HydrophobicContact CG2-CB 3.87Å; V1097-L1132 HydrophobicContact CG2-CD1 3.99Å; L1121-L1132 HydrophobicContact CD2-CD1 3.64Å; K1128-L1132 WeakPolarHBondContact O-CG 3.5Å; K1128-L1132 PolarHBondContact O-N 3.07Å; A1129-L1132 PolarHBondContact O-N 3.21Å; L1132-K1134 VanDerWaalsContact C-N 3.27Å; L1132-K1134 PolarHBondContact O-N 2.9Å; L1132-N1135 VanDerWaalsContact O-CB 3.31Å; L1132-N1135 WeakPolarHBondContact O-CB 3.33Å; L1132-N1135 PolarHBondContact O-N 2.94Å |
| 1133 | L | 97.9 | Very high | 96.6 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.3 | -27.6 | -178.8 | -71.5 | 174.8 | 0 | 0 | 0 | 113.7 | Y964 I972 I1093 V1097 F1098 A1129 V1130 N1135 I1136 | Y964-L1133 HydrophobicContact CD1-CD2 4Å; Y964-L1133 HydrophobicContact CD2-CD1 4.29Å; Y964-L1133 HydrophobicContact CE1-CB 4.36Å; Y964-L1133 HydrophobicContact CE1-CD2 3.98Å; Y964-L1133 HydrophobicContact CE2-CB 4.34Å; Y964-L1133 HydrophobicContact CE2-CD1 4.18Å; Y964-L1133 HydrophobicContact CG-CD2 4.32Å; Y964-L1133 PolarHBondContact OH-O 2.89Å; I972-L1133 HydrophobicContact CD1-CD1 4.18Å; I972-L1133 HydrophobicContact CG2-CD1 3.93Å; I1093-L1133 HydrophobicContact CG2-CD2 4.32Å; V1097-L1133 HydrophobicContact CB-CD2 4.37Å; V1097-L1133 HydrophobicContact CG1-CD1 4.13Å; V1097-L1133 HydrophobicContact CG1-CD2 4.04Å; V1097-L1133 HydrophobicContact CG1-CG 4.07Å; V1097-L1133 HydrophobicContact CG2-CD2 4.29Å; V1097-L1133 HydrophobicContact CG2-CG 4.35Å; F1098-L1133 HydrophobicContact CE2-CD1 4.47Å; F1098-L1133 HydrophobicContact CE2-CD2 3.6Å; F1098-L1133 HydrophobicContact CZ-CD1 4.02Å; F1098-L1133 HydrophobicContact CZ-CD2 3.97Å; A1129-L1133 VanDerWaalsContact O-CG 3.29Å; A1129-L1133 WeakPolarHBondContact O-CG 3.41Å; A1129-L1133 PolarHBondContact O-N 3.29Å; V1130-L1133 PolarHBondContact O-N 2.79Å; L1133-N1135 PolarHBondContact O-N 3.23Å; L1133-N1135 VanDerWaalsContact O-N 3.15Å; L1133-I1136 HydrophobicContact CD2-CG1 4.33Å; L1133-I1136 WeakPolarHBondContact O-CB 3.28Å; L1133-I1136 PolarHBondContact O-N 2.99Å; L1133-I1136 VanDerWaalsContact O-N 3.13Å |
| 1134 | K | 95.5 | Very high | 96.7 | Very high | 139 Ų | 139 | 58 Ų | 58 | 60% | 0.604 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -21.2 | 172.1 | -69.1 | 173.4 | -171.6 | 167.6 | 0 | 113.1 | V1130 E1131 L1132 | V1130-K1134 WeakPolarHBondContact O-CG 3.42Å; V1130-K1134 PolarHBondContact O-N 3.18Å; E1131-K1134 PolarHBondContact O-N 2.64Å; E1131-K1134 WeakPolarHBondContact OE2-CD 3.47Å; E1131-K1134 WeakPolarHBondContact OE2-CE 3.48Å; E1131-K1134 IonicContact OE2-NZ 3.42Å; E1131-K1134 PolarHBondContact OE2-NZ 3.28Å; L1132-K1134 VanDerWaalsContact C-N 3.27Å; L1132-K1134 PolarHBondContact O-N 2.9Å |
| 1135 | N | 96 | Very high | 96.5 | Very high | 70 Ų | 70 | 56.7 Ų | 56.7 | 37% | 0.374 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -7.2 | 179.8 | -68.1 | -72.4 | 0 | 0 | 0 | 114.1 | I1093 E1131 L1132 L1133 | I1093-N1135 HydrophobicContact CD1-CB 3.74Å; E1131-N1135 PolarHBondContact O-ND2 2.94Å; L1132-N1135 VanDerWaalsContact O-CB 3.31Å; L1132-N1135 WeakPolarHBondContact O-CB 3.33Å; L1132-N1135 PolarHBondContact O-N 2.94Å; L1133-N1135 PolarHBondContact O-N 3.23Å; L1133-N1135 VanDerWaalsContact O-N 3.15Å |
| 1136 | I | 96.9 | Very high | 96.4 | Very high | 23 Ų | 23 | 55.5 Ų | 55.5 | 12% | 0.118 | 27% | 0.267 | C | S | . | . | trans | -67 | 132.2 | 173.8 | -66.4 | -65.8 | 0 | 0 | 0 | 109.6 | Y964 N1090 I1093 F1094 L1133 | Y964-I1136 HydrophobicContact CE1-CB 4.07Å; Y964-I1136 HydrophobicContact CE1-CG1 4.08Å; Y964-I1136 HydrophobicContact CE1-CG2 4.13Å; N1090-I1136 HydrophobicContact CB-CD1 4.02Å; N1090-I1136 WeakPolarHBondContact OD1-CA 3.5Å; I1093-I1136 HydrophobicContact CB-CD1 3.61Å; I1093-I1136 HydrophobicContact CB-CG1 4.42Å; I1093-I1136 HydrophobicContact CD1-CD1 3.94Å; I1093-I1136 HydrophobicContact CD1-CG1 4.46Å; I1093-I1136 HydrophobicContact CG1-CD1 4.39Å; I1093-I1136 HydrophobicContact CG2-CD1 3.54Å; I1093-I1136 HydrophobicContact CG2-CG1 3.84Å; F1094-I1136 HydrophobicContact CD2-CD1 3.96Å; F1094-I1136 HydrophobicContact CE2-CD1 3.82Å; F1094-I1136 HydrophobicContact CE2-CG2 4.39Å; F1094-I1136 HydrophobicContact CZ-CD1 4.28Å; F1094-I1136 HydrophobicContact CZ-CG2 4.4Å; L1133-I1136 HydrophobicContact CD2-CG1 4.33Å; L1133-I1136 WeakPolarHBondContact O-CB 3.28Å; L1133-I1136 PolarHBondContact O-N 2.99Å; L1133-I1136 VanDerWaalsContact O-N 3.13Å | ||
| 1137 | K | 92.4 | Very high | 96.5 | Very high | 137 Ų | 137 | 50.9 Ų | 50.9 | 60% | 0.596 | 25% | 0.25 | S | S | * | . | trans | -120.8 | 119.8 | 173.3 | -66.7 | -174.6 | 179.8 | -178.4 | 0 | 110.1 | T1086 N1090 | T1086-K1137 HydrophobicContact CG2-CB 4.21Å; T1086-K1137 WeakPolarHBondContact CG2-O 3.5Å; N1090-K1137 PolarHBondContact ND2-O 2.89Å; N1090-K1137 PolarHBondContact OD1-N 3.46Å; N1090-K1137 VanDerWaalsContact OD1-N 3.11Å | ||
| 1138 | G | 95 | Very high | 96.5 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 62.1 | -146.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F1050 G1052 | F1050-G1138 CarbonylContact O-C 3.56Å; F1050-G1138 WeakPolarHBondContact O-CA 3.41Å; G1052-G1138 VanDerWaalsContact CA-CA 3.46Å; G1052-G1138 VanDerWaalsContact N-CA 3.31Å |
| 1139 | Y | 98 | Very high | 96.3 | Very high | 28 Ų | 28 | 39.3 Ų | 39.3 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -123 | -10.6 | -171.7 | -49.8 | -56.5 | 0 | 0 | 0 | 113.7 | N479 N480 H481 L961 R962 N963 I977 E1049 F1050 V1141 | N479-Y1139 VanDerWaalsContact O-CE2 3.3Å; N479-Y1139 WeakPolarHBondContact O-CE2 3.46Å; N479-Y1139 PolarHBondContact O-OH 3.31Å; N480-Y1139 VanDerWaalsContact CA-OH 3.32Å; N480-Y1139 WeakPolarHBondContact CA-OH 3.39Å; N480-Y1139 PolarHBondContact O-OH 3.21Å; H481-Y1139 AromaticContact CD2-CD2 3.99Å; H481-Y1139 AromaticContact CD2-CE2 3.7Å; L961-Y1139 CarbonylContact C-O 3.53Å; L961-Y1139 VanDerWaalsContact CA-O 3.28Å; L961-Y1139 WeakPolarHBondContact CA-O 3.19Å; R962-Y1139 PolarHBondContact N-O 2.95Å; R962-Y1139 WeakPolarHBondContact O-CA 3.5Å; N963-Y1139 HydrophobicContact CB-CD1 4.09Å; N963-Y1139 HydrophobicContact CB-CE1 4.37Å; N963-Y1139 WeakPolarHBondContact OD1-CE1 3.24Å; I977-Y1139 HydrophobicContact CD1-CD1 3.87Å; I977-Y1139 HydrophobicContact CD1-CD2 4.19Å; I977-Y1139 HydrophobicContact CD1-CG 3.63Å; E1049-Y1139 HydrophobicContact CG-CD2 4.43Å; E1049-Y1139 HydrophobicContact CG-CE2 4.21Å; E1049-Y1139 WeakPolarHBondContact O-CD2 3.34Å; F1050-Y1139 PolarHBondContact O-N 3.44Å; Y1139-V1141 PolarHBondContact O-N 3.39Å |
| 1140 | L | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 129.4 | -174.2 | -164.3 | 69.6 | 0 | 0 | 0 | 111.3 | M904 C959 L961 F1050 L1051 W1083 A1087 N1090 | M904-L1140 HydrophobicContact CE-CD1 3.67Å; M904-L1140 HydrophobicContact SD-CD1 4.05Å; C959-L1140 HydrophobicContact CB-CD1 3.59Å; C959-L1140 HydrophobicContact CB-CG 4.27Å; L961-L1140 HydrophobicContact CD2-CD1 4.32Å; F1050-L1140 HydrophobicContact CB-CB 4.48Å; F1050-L1140 HydrophobicContact CB-CD1 4.32Å; F1050-L1140 PolarHBondContact O-N 3Å; F1050-L1140 VanDerWaalsContact O-N 3.13Å; L1051-L1140 HydrophobicContact CD2-CD2 4.3Å; W1083-L1140 HydrophobicContact CD2-CD2 3.67Å; W1083-L1140 HydrophobicContact CE3-CD2 3.9Å; W1083-L1140 HydrophobicContact CG-CD2 4.09Å; W1083-L1140 HydrophobicContact CH2-CD1 4.02Å; W1083-L1140 HydrophobicContact CH2-CD2 4.48Å; W1083-L1140 HydrophobicContact CZ2-CD1 3.84Å; W1083-L1140 HydrophobicContact CZ2-CD2 4.26Å; W1083-L1140 HydrophobicContact CZ3-CD1 4.48Å; W1083-L1140 HydrophobicContact CZ3-CD2 4.28Å; W1083-L1140 VanDerWaalsContact O-CD2 3.25Å; W1083-L1140 WeakPolarHBondContact O-CD2 3.39Å; A1087-L1140 HydrophobicContact CB-CD2 3.91Å; A1087-L1140 HydrophobicContact CB-CG 3.86Å; N1090-L1140 WeakPolarHBondContact CB-O 3.41Å; N1090-L1140 PolarHBondContact ND2-O 3.4Å |
| 1141 | V | 98.5 | Very high | 96 | Very high | 3 Ų | 3 | 45.4 Ų | 45.4 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 160.8 | 172.2 | -66.7 | 0 | 0 | 0 | 0 | 109.4 | C959 S960 R962 N1090 F1094 Y1139 | C959-V1141 CarbonylContact C-O 3.59Å; C959-V1141 WeakPolarHBondContact CA-O 3.31Å; C959-V1141 WeakPolarHBondContact CB-O 3.07Å; S960-V1141 PolarHBondContact N-O 3.08Å; S960-V1141 PolarHBondContact O-N 3Å; S960-V1141 VanDerWaalsContact O-O 3.09Å; R962-V1141 HydrophobicContact CB-CG1 3.94Å; R962-V1141 HydrophobicContact CB-CG2 4.03Å; N1090-V1141 HydrophobicContact CB-CG1 4.03Å; F1094-V1141 HydrophobicContact CD2-CG1 3.75Å; F1094-V1141 HydrophobicContact CE2-CG1 4.01Å; Y1139-V1141 PolarHBondContact O-N 3.39Å |
| 1142 | P | 98.1 | Very high | 95.6 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 17% | 0.169 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 151.4 | -179.4 | -12.9 | 32.3 | 0 | 0 | 0 | 110.3 | A1087 Y1144 | A1087-P1142 HydrophobicContact CB-CG 4.29Å; A1087-P1142 WeakPolarHBondContact O-CD 3.09Å; A1087-P1142 WeakPolarHBondContact O-CG 3.31Å; P1142-Y1144 HydrophobicContact CB-CE1 4.41Å; P1142-Y1144 HydrophobicContact CG-CE1 4.32Å; P1142-Y1144 PolarHBondContact O-N 2.82Å |
| 1143 | F | 98 | Very high | 95.2 | Very high | 18 Ų | 18 | 42.8 Ų | 42.8 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | trans | -80.7 | 111.8 | 159.1 | -169.3 | -78.8 | 0 | 0 | 0 | 108.3 | L905 L927 T930 F935 I958 S1145 | L905-F1143 HydrophobicContact CB-CD2 3.99Å; L905-F1143 HydrophobicContact CB-CE2 4.12Å; L905-F1143 HydrophobicContact CD1-CD2 4.46Å; L905-F1143 HydrophobicContact CD1-CE2 4.38Å; L927-F1143 HydrophobicContact CD1-CZ 4.11Å; T930-F1143 HydrophobicContact CG2-CZ 4.28Å; F935-F1143 HydrophobicContact CD2-CE1 4.3Å; F935-F1143 AromaticContact CE2-CD1 3.56Å; F935-F1143 HydrophobicContact CE2-CD1 3.56Å; F935-F1143 AromaticContact CE2-CE1 3.46Å; F935-F1143 HydrophobicContact CE2-CE1 3.46Å; F935-F1143 VanDerWaalsContact CE2-CE1 3.46Å; F935-F1143 AromaticContact CZ-CD1 3.73Å; F935-F1143 HydrophobicContact CZ-CD1 3.73Å; F935-F1143 HydrophobicContact CZ-CE1 4.13Å; I958-F1143 HydrophobicContact CB-CB 4.29Å; I958-F1143 HydrophobicContact CG2-CB 3.69Å; I958-F1143 HydrophobicContact CG2-CG 4.06Å; I958-F1143 WeakPolarHBondContact O-CB 3.39Å; I958-F1143 PolarHBondContact O-N 3.32Å; F1143-S1145 PolarHBondContact O-N 3.47Å | ||
| 1144 | Y | 96.6 | Very high | 94.6 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 11% | 0.114 | 24% | 0.243 | C | C | . | . | trans | -71.9 | 99.2 | -175.3 | -56.7 | -72.1 | 0 | 0 | 0 | 111.6 | G1091 P1102 P1142 D1146 F1147 | G1091-Y1144 WeakPolarHBondContact CA-OH 3.41Å; G1091-Y1144 PolarHBondContact O-OH 3.14Å; P1102-Y1144 HydrophobicContact CB-CD2 4.13Å; P1102-Y1144 HydrophobicContact CG-CD2 4.04Å; P1102-Y1144 VanDerWaalsContact O-CE2 3.25Å; P1102-Y1144 WeakPolarHBondContact O-CE2 3.17Å; P1142-Y1144 HydrophobicContact CB-CE1 4.41Å; P1142-Y1144 HydrophobicContact CG-CE1 4.32Å; P1142-Y1144 PolarHBondContact O-N 2.82Å; Y1144-D1146 VanDerWaalsContact C-N 3.28Å; Y1144-D1146 PolarHBondContact O-N 3.17Å; Y1144-F1147 WeakPolarHBondContact O-CB 3.45Å; Y1144-F1147 PolarHBondContact O-N 2.9Å | ||
| 1145 | S | 92.3 | Very high | 93.9 | Very high | 52 Ų | 52 | 38.8 Ų | 38.8 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -25.4 | -175.8 | 57.4 | 0 | 0 | 0 | 0 | 114 | R931 F935 F1143 | R931-S1145 PolarHBondContact NH1-O 3.22Å; F935-S1145 VanDerWaalsContact CD1-CB 3.46Å; F1143-S1145 PolarHBondContact O-N 3.47Å |
| 1146 | D | 94.4 | Very high | 93.1 | Very high | 40 Ų | 40 | 39 Ų | 39 | 21% | 0.214 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -12.6 | 178.4 | 61.9 | -22.4 | 0 | 0 | 0 | 113.5 | S1104 G1105 L1107 Y1144 L1148 A1149 | S1104-D1146 WeakPolarHBondContact CA-OD2 3.44Å; S1104-D1146 PolarHBondContact OG-OD2 3.09Å; G1105-D1146 PolarHBondContact N-OD2 3.23Å; L1107-D1146 HydrophobicContact CD2-CB 3.92Å; L1107-D1146 VanDerWaalsContact CD2-O 3.27Å; L1107-D1146 WeakPolarHBondContact CD2-O 3.42Å; Y1144-D1146 VanDerWaalsContact C-N 3.28Å; Y1144-D1146 PolarHBondContact O-N 3.17Å; D1146-L1148 PolarHBondContact O-N 3.42Å; D1146-L1148 VanDerWaalsContact O-N 3.16Å; D1146-A1149 WeakPolarHBondContact O-CB 3.22Å; D1146-A1149 PolarHBondContact O-N 3.31Å |
| 1147 | F | 96.6 | Very high | 92.2 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 120.4 | -176.7 | 179.5 | -112.3 | 0 | 0 | 0 | 112.1 | L908 V915 L927 R931 I1101 P1102 L1106 Y1144 A1149 | L908-F1147 HydrophobicContact CD2-CE1 4.14Å; V915-F1147 HydrophobicContact CG1-CZ 4.27Å; V915-F1147 HydrophobicContact CG2-CE1 3.8Å; V915-F1147 HydrophobicContact CG2-CZ 3.91Å; L927-F1147 HydrophobicContact CD2-CD1 3.84Å; L927-F1147 HydrophobicContact CD2-CE1 3.98Å; R931-F1147 PolarHBondContact NH1-O 2.86Å; I1101-F1147 HydrophobicContact CG2-CE2 3.91Å; I1101-F1147 HydrophobicContact CG2-CZ 3.82Å; P1102-F1147 HydrophobicContact CB-CB 4.2Å; P1102-F1147 HydrophobicContact CB-CD1 3.58Å; P1102-F1147 HydrophobicContact CB-CD2 3.48Å; P1102-F1147 VanDerWaalsContact CB-CD2 3.48Å; P1102-F1147 HydrophobicContact CB-CE1 3.71Å; P1102-F1147 HydrophobicContact CB-CE2 3.63Å; P1102-F1147 HydrophobicContact CB-CG 3.45Å; P1102-F1147 VanDerWaalsContact CB-CG 3.45Å; P1102-F1147 HydrophobicContact CB-CZ 3.74Å; L1106-F1147 HydrophobicContact CB-CD2 3.85Å; L1106-F1147 HydrophobicContact CB-CE2 3.99Å; L1106-F1147 HydrophobicContact CD1-CE2 4.27Å; L1106-F1147 WeakPolarHBondContact O-CD2 3.4Å; Y1144-F1147 WeakPolarHBondContact O-CB 3.45Å; Y1144-F1147 PolarHBondContact O-N 2.9Å; F1147-A1149 PolarHBondContact O-N 2.88Å |
| 1148 | L | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 31.3 | -175.2 | -57.8 | 173.4 | 0 | 0 | 0 | 114.1 | V915 L927 L1106 L1107 F1109 D1146 D1150 E1151 L1153 | V915-L1148 HydrophobicContact CG2-CD1 4.17Å; L927-L1148 HydrophobicContact CD2-CD1 4.25Å; L1106-L1148 PolarHBondContact O-N 3.31Å; L1107-L1148 CarbonylContact O-C 3.42Å; L1107-L1148 VanDerWaalsContact O-C 3.28Å; L1107-L1148 WeakPolarHBondContact O-CA 3.33Å; F1109-L1148 HydrophobicContact CD1-CD1 4.28Å; F1109-L1148 HydrophobicContact CD1-CD2 3.61Å; F1109-L1148 HydrophobicContact CE1-CD1 3.9Å; F1109-L1148 HydrophobicContact CE1-CD2 3.99Å; F1109-L1148 HydrophobicContact CE1-CG 4.5Å; D1146-L1148 PolarHBondContact O-N 3.42Å; D1146-L1148 VanDerWaalsContact O-N 3.16Å; L1148-D1150 VanDerWaalsContact C-N 3.27Å; L1148-D1150 PolarHBondContact O-N 3.09Å; L1148-E1151 HydrophobicContact CB-CB 4.42Å; L1148-E1151 HydrophobicContact CD2-CG 4.24Å; L1148-E1151 PolarHBondContact O-N 3.04Å; L1148-L1153 HydrophobicContact CB-CD1 4.31Å; L1148-L1153 HydrophobicContact CB-CD2 4.04Å; L1148-L1153 HydrophobicContact CD1-CD2 3.95Å |
| 1149 | A | 93.6 | Very high | 90.3 | Very high | 42 Ų | 42 | 40.8 Ų | 40.8 | 35% | 0.347 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -25.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R931 L1107 D1146 F1147 | R931-A1149 VanDerWaalsContact NH2-CA 3.3Å; R931-A1149 VanDerWaalsContact NH2-CB 3.31Å; L1107-A1149 HydrophobicContact CD2-CB 4.45Å; L1107-A1149 PolarHBondContact O-N 3.07Å; D1146-A1149 WeakPolarHBondContact O-CB 3.22Å; D1146-A1149 PolarHBondContact O-N 3.31Å; F1147-A1149 PolarHBondContact O-N 2.88Å |
| 1150 | D | 94.8 | Very high | 89 | Confident | 114 Ų | 114 | 44 Ų | 44 | 61% | 0.61 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 3.1 | -178.7 | -63.9 | -14.3 | 0 | 0 | 0 | 112.3 | L1107 T1108 L1148 | L1107-D1150 HydrophobicContact CB-CB 4.22Å; L1107-D1150 WeakPolarHBondContact CB-OD2 3.17Å; L1107-D1150 WeakPolarHBondContact CD1-OD2 3.22Å; L1107-D1150 PolarHBondContact O-N 3.42Å; L1107-D1150 VanDerWaalsContact O-N 3.13Å; T1108-D1150 HydrophobicContact CG2-CB 4.03Å; L1148-D1150 VanDerWaalsContact C-N 3.27Å; L1148-D1150 PolarHBondContact O-N 3.09Å |
| 1151 | E | 92.1 | Very high | 88 | Confident | 60 Ų | 60 | 45.6 Ų | 45.6 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -106.1 | 142.5 | -178.7 | -66.6 | -73.7 | -177.1 | 0 | 0 | 112 | T1108 F1109 L1148 L1153 | T1108-E1151 WeakPolarHBondContact CA-OE1 3.29Å; T1108-E1151 VanDerWaalsContact CB-OE1 3.3Å; T1108-E1151 WeakPolarHBondContact CB-OE1 3.37Å; F1109-E1151 HydrophobicContact CD1-CG 4.01Å; F1109-E1151 HydrophobicContact CE1-CB 4.28Å; F1109-E1151 HydrophobicContact CE1-CG 4.26Å; F1109-E1151 HydrophobicContact CG-CG 4.16Å; F1109-E1151 HydrophobicContact CZ-CB 4.43Å; F1109-E1151 PolarHBondContact N-OE1 3.05Å; L1148-E1151 HydrophobicContact CB-CB 4.42Å; L1148-E1151 HydrophobicContact CD2-CG 4.24Å; L1148-E1151 PolarHBondContact O-N 3.04Å; E1151-L1153 HydrophobicContact CB-CD2 4.14Å; E1151-L1153 PolarHBondContact O-N 3.24Å |
| 1152 | S | 88.8 | Confident | 86.9 | Confident | 90 Ų | 90 | 50.8 Ų | 50.8 | 63% | 0.629 | 30% | 0.299 | S | S | * | . | trans | -78.3 | 106.4 | 166.1 | -174.8 | 0 | 0 | 0 | 0 | 109.5 | V1154 | S1152-V1154 PolarHBondContact O-N 3.28Š| ||
| 1153 | L | 89.9 | Confident | 85.6 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | trans | -84.7 | 8 | 177.7 | -58.9 | -174.4 | 0 | 0 | 0 | 113.7 | H924 L927 H928 F1109 L1148 E1151 | H924-L1153 HydrophobicContact CB-CB 4.31Å; H924-L1153 HydrophobicContact CB-CD2 4.29Å; L927-L1153 HydrophobicContact CB-CD1 4.11Å; L927-L1153 HydrophobicContact CD2-CD1 3.7Å; L927-L1153 HydrophobicContact CG-CD1 3.72Å; H928-L1153 HydrophobicContact CB-CB 3.77Å; F1109-L1153 HydrophobicContact CE1-CD2 3.84Å; F1109-L1153 HydrophobicContact CZ-CD2 3.93Å; L1148-L1153 HydrophobicContact CB-CD1 4.31Å; L1148-L1153 HydrophobicContact CB-CD2 4.04Å; L1148-L1153 HydrophobicContact CD1-CD2 3.95Å; E1151-L1153 HydrophobicContact CB-CD2 4.14Å; E1151-L1153 PolarHBondContact O-N 3.24Å | ||
| 1154 | V | 84.9 | Confident | 84.3 | Confident | 47 Ų | 47 | 53 Ų | 53 | 29% | 0.285 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -66 | 140.4 | 173.2 | -178.3 | 0 | 0 | 0 | 0 | 109 | S1152 | S1152-V1154 PolarHBondContact O-N 3.28Š|
| 1155 | C | 81.3 | Confident | 83.1 | Confident | 12 Ų | 12 | 54.5 Ų | 54.5 | 8% | 0.081 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -52.7 | 129.3 | 178 | -57.9 | 0 | 0 | 0 | 0 | 111 | T921 E1161 R1162 | T921-C1155 HydrophobicContact CG2-CB 4.29Å; C1155-E1161 HydrophobicContact CB-CB 4.03Å; C1155-R1162 HydrophobicContact CB-CB 3.72Å; C1155-R1162 HydrophobicContact CB-CG 4.48Å; C1155-R1162 VanDerWaalsContact O-CD 3.3Å; C1155-R1162 WeakPolarHBondContact O-CD 3.35Å |
| 1156 | P | 79.9 | Confident | 82.3 | Confident | 75 Ų | 75 | 55.9 Ų | 55.9 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -57 | 145.3 | -178.5 | -26.4 | 34 | 0 | 0 | 0 | 113 | G1158 S1159 R1162 | P1156-G1158 PolarHBondContact O-N 3.47Å; P1156-S1159 VanDerWaalsContact O-CB 3.3Å; P1156-S1159 WeakPolarHBondContact O-CB 3.42Å; P1156-S1159 PolarHBondContact O-N 3.36Å; P1156-S1159 PolarHBondContact O-OG 3.12Å; P1156-R1162 VanDerWaalsContact O-CB 3.23Å; P1156-R1162 WeakPolarHBondContact O-CB 3.38Å |
| 1157 | V | 77 | Confident | 81.5 | Confident | 142 Ų | 142 | 56.7 Ų | 56.7 | 86% | 0.861 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | 125.6 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 1158 | G | 73.7 | Confident | 80.5 | Confident | 49 Ų | 49 | 57.8 Ų | 57.8 | 51% | 0.505 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -8.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1156 | P1156-G1158 PolarHBondContact O-N 3.47Š|
| 1159 | S | 73.4 | Confident | 79.6 | Confident | 21 Ų | 21 | 59 Ų | 59 | 15% | 0.147 | 34% | 0.339 | C | S | . | . | trans | -66.8 | 149.7 | 170.5 | 65.7 | 0 | 0 | 0 | 0 | 111.3 | P1156 E1161 R1162 M1163 | P1156-S1159 VanDerWaalsContact O-CB 3.3Å; P1156-S1159 WeakPolarHBondContact O-CB 3.42Å; P1156-S1159 PolarHBondContact O-N 3.36Å; P1156-S1159 PolarHBondContact O-OG 3.12Å; S1159-E1161 WeakPolarHBondContact CB-OE2 3.03Å; S1159-E1161 PolarHBondContact O-N 3.31Å; S1159-R1162 PolarHBondContact O-N 2.58Å; S1159-R1162 VanDerWaalsContact O-N 3.13Å; S1159-R1162 VanDerWaalsContact OG-CB 3.32Å; S1159-R1162 WeakPolarHBondContact OG-CB 3.29Å; S1159-R1162 PolarHBondContact OG-N 2.89Å; S1159-R1162 VanDerWaalsContact OG-N 3.13Å; S1159-M1163 PolarHBondContact O-N 3.29Å | ||
| 1160 | I | 71.8 | Confident | 79 | Confident | 96 Ų | 96 | 57 Ų | 57 | 49% | 0.492 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -36.2 | 175.9 | -65.4 | 173.8 | 0 | 0 | 0 | 109.6 | M568 M1163 I1164 | M568-I1160 HydrophobicContact CE-CG2 3.99Å; I1160-M1163 WeakPolarHBondContact O-CB 3.33Å; I1160-M1163 PolarHBondContact O-N 3.03Å; I1160-I1164 PolarHBondContact O-N 2.98Å |
| 1161 | E | 76.4 | Confident | 78.2 | Confident | 32 Ų | 32 | 54.2 Ų | 54.2 | 15% | 0.15 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -66.2 | -33.8 | 179.6 | -63.3 | 77.2 | -170 | 0 | 0 | 112.7 | T921 Y922 C1155 S1159 M1163 I1164 W1169 | T921-E1161 HydrophobicContact CG2-CB 3.71Å; T921-E1161 HydrophobicContact CG2-CG 3.69Å; Y922-E1161 HydrophobicContact CD2-CG 4.05Å; Y922-E1161 HydrophobicContact CE1-CG 4.48Å; Y922-E1161 HydrophobicContact CE2-CG 3.67Å; Y922-E1161 WeakPolarHBondContact CE2-OE1 3.43Å; C1155-E1161 HydrophobicContact CB-CB 4.03Å; S1159-E1161 WeakPolarHBondContact CB-OE2 3.03Å; S1159-E1161 PolarHBondContact O-N 3.31Å; E1161-M1163 VanDerWaalsContact C-N 3.25Å; E1161-M1163 PolarHBondContact O-N 3.25Å; E1161-I1164 WeakPolarHBondContact O-CB 3.36Å; E1161-I1164 PolarHBondContact O-N 3.32Å; E1161-W1169 HydrophobicContact CB-CH2 4.3Å; E1161-W1169 HydrophobicContact CB-CZ2 3.92Å; E1161-W1169 HydrophobicContact CG-CH2 4.3Å; E1161-W1169 HydrophobicContact CG-CZ2 4.39Å |
| 1162 | R | 76.1 | Confident | 77.4 | Confident | 112 Ų | 112 | 53.8 Ų | 53.8 | 42% | 0.423 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -72.1 | -21 | 174.9 | -173 | 57.5 | 165.4 | 173.2 | 0.8 | 112.5 | C1155 P1156 S1159 I1164 E1166 | C1155-R1162 HydrophobicContact CB-CB 3.72Å; C1155-R1162 HydrophobicContact CB-CG 4.48Å; C1155-R1162 VanDerWaalsContact O-CD 3.3Å; C1155-R1162 WeakPolarHBondContact O-CD 3.35Å; P1156-R1162 VanDerWaalsContact O-CB 3.23Å; P1156-R1162 WeakPolarHBondContact O-CB 3.38Å; S1159-R1162 PolarHBondContact O-N 2.58Å; S1159-R1162 VanDerWaalsContact O-N 3.13Å; S1159-R1162 VanDerWaalsContact OG-CB 3.32Å; S1159-R1162 WeakPolarHBondContact OG-CB 3.29Å; S1159-R1162 PolarHBondContact OG-N 2.89Å; S1159-R1162 VanDerWaalsContact OG-N 3.13Å; R1162-I1164 VanDerWaalsContact C-N 3.32Å; R1162-E1166 IonicContact NH1-OE1 3.49Å |
| 1163 | M | 69.9 | Low | 76.8 | Confident | 53 Ų | 53 | 51.8 Ų | 51.8 | 26% | 0.261 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -82.8 | -12.4 | 174.4 | -57 | -174.3 | 75.7 | 0 | 0 | 112.6 | M568 S1159 I1160 E1161 P1165 | M568-M1163 HydrophobicContact CB-CE 4.25Å; M568-M1163 HydrophobicContact CB-SD 4.32Å; M568-M1163 HydrophobicContact CE-CB 4.02Å; M568-M1163 HydrophobicContact CE-SD 4.29Å; M568-M1163 HydrophobicContact CG-CE 3.23Å; M568-M1163 HydrophobicContact CG-SD 3.57Å; M568-M1163 VanDerWaalsContact CG-SD 3.57Å; M568-M1163 HydrophobicContact SD-CE 4.38Å; S1159-M1163 PolarHBondContact O-N 3.29Å; I1160-M1163 WeakPolarHBondContact O-CB 3.33Å; I1160-M1163 PolarHBondContact O-N 3.03Å; E1161-M1163 VanDerWaalsContact C-N 3.25Å; E1161-M1163 PolarHBondContact O-N 3.25Å; M1163-P1165 WeakPolarHBondContact O-CD 3.35Å |
| 1164 | I | 70.5 | Confident | 76 | Confident | 37 Ų | 37 | 54.6 Ų | 54.6 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -74 | 120.8 | 172.1 | -61.8 | -179.9 | 0 | 0 | 0 | 108 | Y922 I1160 E1161 R1162 E1166 I1168 W1169 | Y922-I1164 HydrophobicContact CE1-CD1 4.37Å; I1160-I1164 PolarHBondContact O-N 2.98Å; E1161-I1164 WeakPolarHBondContact O-CB 3.36Å; E1161-I1164 PolarHBondContact O-N 3.32Å; R1162-I1164 VanDerWaalsContact C-N 3.32Å; I1164-E1166 PolarHBondContact O-N 2.7Å; I1164-I1168 HydrophobicContact CG2-CB 3.68Å; I1164-I1168 HydrophobicContact CG2-CD1 3.66Å; I1164-I1168 HydrophobicContact CG2-CG1 4.17Å; I1164-I1168 HydrophobicContact CG2-CG2 3.79Å; I1164-W1169 HydrophobicContact CB-CZ2 4.19Å; I1164-W1169 HydrophobicContact CD1-CH2 4.39Å; I1164-W1169 HydrophobicContact CD1-CZ2 3.91Å; I1164-W1169 HydrophobicContact CG2-CZ2 4.26Å |
| 1165 | P | 72 | Confident | 75.5 | Confident | 61 Ų | 61 | 55.1 Ų | 55.1 | 40% | 0.396 | 31% | 0.31 | S | S | . | . | trans | -53 | 138.4 | 177.7 | -29.2 | 35.8 | 0 | 0 | 0 | 112.9 | M1163 V1167 I1168 | M1163-P1165 WeakPolarHBondContact O-CD 3.35Å; P1165-V1167 HydrophobicContact CB-CG1 3.96Å; P1165-V1167 PolarHBondContact O-N 3.42Å; P1165-I1168 HydrophobicContact CB-CD1 4.44Å; P1165-I1168 HydrophobicContact CG-CD1 4.37Å; P1165-I1168 WeakPolarHBondContact O-CB 3.22Å; P1165-I1168 WeakPolarHBondContact O-CG1 3.36Å; P1165-I1168 PolarHBondContact O-N 3.43Å | ||
| 1166 | E | 75.2 | Confident | 75.1 | Confident | 81 Ų | 81 | 57.9 Ų | 57.9 | 38% | 0.379 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -54 | -33.5 | -175.4 | -66.3 | -169.7 | 170.1 | 0 | 0 | 113.7 | L876 R1162 I1164 I1168 W1169 T1170 | L876-E1166 HydrophobicContact CD1-CB 4.43Å; L876-E1166 WeakPolarHBondContact CD1-OE2 3.36Å; R1162-E1166 IonicContact NH1-OE1 3.49Å; I1164-E1166 PolarHBondContact O-N 2.7Å; E1166-I1168 PolarHBondContact O-N 3.28Å; E1166-W1169 PolarHBondContact O-N 3.5Å; E1166-T1170 PolarHBondContact O-N 3.45Å |
| 1167 | V | 77.4 | Confident | 74.8 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 35% | 0.345 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -57.1 | -11.6 | 175.7 | 77.2 | 0 | 0 | 0 | 0 | 115 | W450 R1007 P1165 T1170 | W450-V1167 HydrophobicContact CH2-CG1 4Å; W450-V1167 HydrophobicContact CH2-CG2 3.95Å; R1007-V1167 PolarHBondContact NH1-O 2.79Å; P1165-V1167 HydrophobicContact CB-CG1 3.96Å; P1165-V1167 PolarHBondContact O-N 3.42Å; V1167-T1170 WeakPolarHBondContact CA-OG1 3.23Å |
| 1168 | I | 76.2 | Confident | 74.6 | Confident | 27 Ų | 27 | 50.2 Ų | 50.2 | 14% | 0.138 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -91.8 | -28.7 | 178.4 | -60.7 | -179 | 0 | 0 | 0 | 111.7 | L449 R1001 I1164 P1165 E1166 T1170 | L449-I1168 HydrophobicContact CB-CD1 3.78Å; L449-I1168 HydrophobicContact CD1-CD1 3.24Å; L449-I1168 HydrophobicContact CG-CD1 4.06Å; R1001-I1168 WeakPolarHBondContact CD-O 3.41Å; R1001-I1168 PolarHBondContact NH1-O 2.92Å; R1001-I1168 VanDerWaalsContact NH1-O 3.08Å; I1164-I1168 HydrophobicContact CG2-CB 3.68Å; I1164-I1168 HydrophobicContact CG2-CD1 3.66Å; I1164-I1168 HydrophobicContact CG2-CG1 4.17Å; I1164-I1168 HydrophobicContact CG2-CG2 3.79Å; P1165-I1168 HydrophobicContact CB-CD1 4.44Å; P1165-I1168 HydrophobicContact CG-CD1 4.37Å; P1165-I1168 WeakPolarHBondContact O-CB 3.22Å; P1165-I1168 WeakPolarHBondContact O-CG1 3.36Å; P1165-I1168 PolarHBondContact O-N 3.43Å; E1166-I1168 PolarHBondContact O-N 3.28Å; I1168-T1170 VanDerWaalsContact C-N 3.34Å |
| 1169 | W | 77.6 | Confident | 74.7 | Confident | 25 Ų | 25 | 50.3 Ų | 50.3 | 10% | 0.095 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -25 | 173.2 | -55.6 | 113.5 | 0 | 0 | 0 | 111.5 | I832 Y922 A925 I926 Y929 E1161 I1164 E1166 | I832-W1169 VanDerWaalsContact CD1-O 3.25Å; I832-W1169 WeakPolarHBondContact CD1-O 3.08Å; Y922-W1169 AromaticContact CD1-CH2 3.39Å; Y922-W1169 HydrophobicContact CD1-CH2 3.39Å; Y922-W1169 AromaticContact CD1-CZ3 3.58Å; Y922-W1169 HydrophobicContact CD1-CZ3 3.58Å; Y922-W1169 AromaticContact CE1-CH2 3.59Å; Y922-W1169 HydrophobicContact CE1-CH2 3.59Å; Y922-W1169 HydrophobicContact CE1-CZ3 4.12Å; Y922-W1169 HydrophobicContact CG-CH2 4.12Å; Y922-W1169 HydrophobicContact CG-CZ3 4.37Å; A925-W1169 HydrophobicContact CB-CD2 3.98Å; A925-W1169 HydrophobicContact CB-CE3 3.72Å; A925-W1169 HydrophobicContact CB-CH2 3.91Å; A925-W1169 HydrophobicContact CB-CZ2 4.18Å; A925-W1169 HydrophobicContact CB-CZ3 3.67Å; I926-W1169 HydrophobicContact CG1-CE3 4.32Å; Y929-W1169 HydrophobicContact CD2-CB 3.6Å; Y929-W1169 HydrophobicContact CD2-CG 4.47Å; Y929-W1169 HydrophobicContact CE2-CB 3.23Å; Y929-W1169 AromaticContact CE2-CG 3.81Å; Y929-W1169 HydrophobicContact CE2-CG 3.81Å; E1161-W1169 HydrophobicContact CB-CH2 4.3Å; E1161-W1169 HydrophobicContact CB-CZ2 3.92Å; E1161-W1169 HydrophobicContact CG-CH2 4.3Å; E1161-W1169 HydrophobicContact CG-CZ2 4.39Å; I1164-W1169 HydrophobicContact CB-CZ2 4.19Å; I1164-W1169 HydrophobicContact CD1-CH2 4.39Å; I1164-W1169 HydrophobicContact CD1-CZ2 3.91Å; I1164-W1169 HydrophobicContact CG2-CZ2 4.26Å; E1166-W1169 PolarHBondContact O-N 3.5Å |
| 1170 | T | 79.3 | Confident | 74.8 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.006 | 26% | 0.261 | C | S | . | . | trans | -97.6 | 0 | -172.5 | 64.3 | 0 | 0 | 0 | 0 | 117.5 | I832 V877 Y929 N999 D1000 R1001 R1007 E1166 V1167 I1168 | I832-T1170 HydrophobicContact CG2-CG2 4.47Å; V877-T1170 HydrophobicContact CG2-CG2 3.45Å; V877-T1170 VanDerWaalsContact CG2-CG2 3.45Å; Y929-T1170 HydrophobicContact CD1-CG2 4.01Å; Y929-T1170 HydrophobicContact CE1-CG2 3.89Å; Y929-T1170 HydrophobicContact CG-CG2 4.39Å; N999-T1170 VanDerWaalsContact CB-OXT 3.25Å; N999-T1170 WeakPolarHBondContact CB-OXT 3.31Å; D1000-T1170 WeakPolarHBondContact CB-OXT 3.38Å; D1000-T1170 PolarHBondContact N-OXT 2.93Å; R1001-T1170 VanDerWaalsContact CG-O 3.32Å; R1001-T1170 WeakPolarHBondContact CG-O 3.5Å; R1001-T1170 PolarHBondContact N-O 3.18Å; R1001-T1170 VanDerWaalsContact N-O 3.16Å; R1007-T1170 PolarHBondContact NH1-O 3.3Å; R1007-T1170 PolarHBondContact NH1-OG1 3.43Å; E1166-T1170 PolarHBondContact O-N 3.45Å; V1167-T1170 WeakPolarHBondContact CA-OG1 3.23Å; I1168-T1170 VanDerWaalsContact C-N 3.34Å |
Retrieved 1,170 of 1,170 residues in 459.4 ms
(Link to these results)