| 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 | 55.3 | Low | 66.9 | Low | 131 Ų | 131 | 67.7 Ų | 67.7 | 65% | 0.645 | 37% | 0.366 | S | S | * | . | 0 | -61.5 | 0 | -70.1 | -49.5 | -74.8 | 0 | 0 | 113.7 | S3 V4 L5 W72 | M1-S3 PolarHBondContact O-N 3.3Å; M1-V4 WeakPolarHBondContact O-CA 3.4Å; M1-V4 WeakPolarHBondContact O-CB 3.31Å; M1-V4 PolarHBondContact O-N 2.96Å; M1-L5 PolarHBondContact O-N 2.96Å; M1-L5 VanDerWaalsContact O-N 3.09Å; M1-W72 HydrophobicContact CE-CE3 3.94Å; M1-W72 HydrophobicContact CE-CZ3 3.81Å | |||
| 2 | S | 59.8 | Low | 67.3 | Low | 28 Ų | 28 | 63.8 Ų | 63.8 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -53.8 | -38.2 | 177.8 | 179.5 | 0 | 0 | 0 | 0 | 113.3 | V4 L5 K6 | S2-V4 VanDerWaalsContact C-N 3.31Å; S2-V4 PolarHBondContact O-N 3.04Å; S2-L5 PolarHBondContact O-N 3.17Å; S2-K6 WeakPolarHBondContact O-CB 3.5Å; S2-K6 WeakPolarHBondContact O-CG 3.39Å; S2-K6 PolarHBondContact O-N 2.91Å |
| 3 | S | 65.5 | Low | 67.9 | Low | 91 Ų | 91 | 62.7 Ų | 62.7 | 64% | 0.636 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -55.7 | -38.4 | 171.2 | 50 | 0 | 0 | 0 | 0 | 114.3 | M1 G7 | M1-S3 PolarHBondContact O-N 3.3Å; S3-G7 WeakPolarHBondContact O-CA 3.41Å; S3-G7 PolarHBondContact O-N 3.06Å |
| 4 | V | 66.4 | Low | 68.5 | Low | 80 Ų | 80 | 60.1 Ų | 60.1 | 49% | 0.485 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -73.6 | -45.5 | 178.5 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | M1 S2 G7 K8 | M1-V4 WeakPolarHBondContact O-CA 3.4Å; M1-V4 WeakPolarHBondContact O-CB 3.31Å; M1-V4 PolarHBondContact O-N 2.96Å; S2-V4 VanDerWaalsContact C-N 3.31Å; S2-V4 PolarHBondContact O-N 3.04Å; V4-G7 PolarHBondContact O-N 3.17Å; V4-K8 HydrophobicContact CG1-CG 4.38Å; V4-K8 WeakPolarHBondContact O-CB 3.33Å; V4-K8 PolarHBondContact O-N 2.82Å |
| 5 | L | 67.2 | Low | 69 | Low | 16 Ų | 16 | 61.7 Ų | 61.7 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | I | π-helix | trans | -57.4 | -55.5 | 173.5 | -88.3 | 147.5 | 0 | 0 | 0 | 111.1 | M1 S2 G7 I9 L10 I70 W72 | M1-L5 PolarHBondContact O-N 2.96Å; M1-L5 VanDerWaalsContact O-N 3.09Å; S2-L5 PolarHBondContact O-N 3.17Å; L5-G7 VanDerWaalsContact C-N 3.34Å; L5-G7 PolarHBondContact O-N 2.81Å; L5-I9 HydrophobicContact CD2-CD1 3.75Å; L5-I9 HydrophobicContact CG-CD1 4.4Å; L5-I9 WeakPolarHBondContact O-CA 3.44Å; L5-I9 WeakPolarHBondContact O-CB 3.47Å; L5-I9 PolarHBondContact O-N 3.31Å; L5-L10 HydrophobicContact CB-CD1 4.41Å; L5-L10 WeakPolarHBondContact O-CD1 3.43Å; L5-L10 PolarHBondContact O-N 3.34Å; L5-I70 HydrophobicContact CD2-CG2 3.66Å; L5-W72 HydrophobicContact CD1-CB 3.98Å; L5-W72 HydrophobicContact CD1-CG 4.22Å; L5-W72 HydrophobicContact CD2-CB 3.94Å; L5-W72 HydrophobicContact CG-CB 4.42Å |
| 6 | K | 67.9 | Low | 69.6 | Low | 47 Ų | 47 | 59.2 Ų | 59.2 | 20% | 0.204 | 31% | 0.311 | C | S | . | . | I | π-helix | trans | -56.7 | -45.8 | 176.7 | -73.2 | -172.9 | 170.4 | -158.5 | 0 | 112.1 | S2 K11 S22 L25 | S2-K6 WeakPolarHBondContact O-CB 3.5Å; S2-K6 WeakPolarHBondContact O-CG 3.39Å; S2-K6 PolarHBondContact O-N 2.91Å; K6-K11 WeakPolarHBondContact O-CB 3.29Å; K6-K11 PolarHBondContact O-N 2.95Å; K6-S22 PolarHBondContact NZ-O 3.39Å; K6-S22 VanDerWaalsContact NZ-O 3.1Å; K6-L25 VanDerWaalsContact CE-O 3.32Å; K6-L25 WeakPolarHBondContact CE-O 3.43Å; K6-L25 PolarHBondContact NZ-O 3.41Å |
| 7 | G | 67.8 | Low | 70.3 | Confident | 37 Ų | 37 | 57.1 Ų | 57.1 | 38% | 0.381 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -80.3 | -30.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | S3 V4 L5 K11 | S3-G7 WeakPolarHBondContact O-CA 3.41Å; S3-G7 PolarHBondContact O-N 3.06Å; V4-G7 PolarHBondContact O-N 3.17Å; L5-G7 VanDerWaalsContact C-N 3.34Å; L5-G7 PolarHBondContact O-N 2.81Å; G7-K11 WeakPolarHBondContact O-CB 3.22Å |
| 8 | K | 69.3 | Low | 70.9 | Confident | 150 Ų | 150 | 57.1 Ų | 57.1 | 65% | 0.652 | 30% | 0.298 | S | S | * | . | I | π-helix | trans | -107.7 | -29 | -176.9 | -68.2 | -69.6 | -171.3 | 176 | 0 | 114.3 | V4 | V4-K8 HydrophobicContact CG1-CG 4.38Å; V4-K8 WeakPolarHBondContact O-CB 3.33Å; V4-K8 PolarHBondContact O-N 2.82Å |
| 9 | I | 69.5 | Low | 70.9 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | I | π-helix | trans | -108 | -48.8 | -174.9 | -63.1 | 161.9 | 0 | 0 | 0 | 110.9 | L5 P12 F13 L75 V121 | L5-I9 HydrophobicContact CD2-CD1 3.75Å; L5-I9 HydrophobicContact CG-CD1 4.4Å; L5-I9 WeakPolarHBondContact O-CA 3.44Å; L5-I9 WeakPolarHBondContact O-CB 3.47Å; L5-I9 PolarHBondContact O-N 3.31Å; I9-P12 WeakPolarHBondContact O-CD 3.37Å; I9-F13 HydrophobicContact CG2-CE2 4.33Å; I9-F13 WeakPolarHBondContact O-CD2 3.33Å; I9-F13 WeakPolarHBondContact O-CE2 3.48Å; I9-L75 HydrophobicContact CD1-CD1 3.44Å; I9-L75 VanDerWaalsContact CD1-CD1 3.44Å; I9-V121 HydrophobicContact CG2-CG1 4.28Å |
| 10 | L | 72 | Confident | 71 | Confident | 12 Ų | 12 | 60.1 Ų | 60.1 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -81.9 | -30.6 | -179.4 | -68.8 | 100.3 | 0 | 0 | 0 | 114.7 | L5 P12 F13 L14 L25 M27 L34 I70 | L5-L10 HydrophobicContact CB-CD1 4.41Å; L5-L10 WeakPolarHBondContact O-CD1 3.43Å; L5-L10 PolarHBondContact O-N 3.34Å; L10-P12 VanDerWaalsContact C-N 3.34Å; L10-F13 PolarHBondContact O-N 3.48Å; L10-L14 PolarHBondContact O-N 2.9Å; L10-L25 HydrophobicContact CB-CD1 4.39Å; L10-L25 HydrophobicContact CD2-CD1 3.98Å; L10-M27 HydrophobicContact CD1-CE 3.68Å; L10-M27 HydrophobicContact CD2-CE 4.15Å; L10-L34 HydrophobicContact CD2-CD2 3.41Å; L10-L34 VanDerWaalsContact CD2-CD2 3.41Å; L10-I70 HydrophobicContact CD1-CD1 3.8Å; L10-I70 HydrophobicContact CD2-CD1 4.36Å; L10-I70 HydrophobicContact CG-CD1 4.26Å |
| 11 | K | 75.1 | Confident | 70.9 | Confident | 133 Ų | 133 | 59.8 Ų | 59.8 | 58% | 0.578 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -56.5 | -38.2 | 179 | -173 | 177.4 | -178.9 | -179.5 | 0 | 113.8 | K6 G7 | K6-K11 WeakPolarHBondContact O-CB 3.29Å; K6-K11 PolarHBondContact O-N 2.95Å; G7-K11 WeakPolarHBondContact O-CB 3.22Å |
| 12 | P | 72.1 | Confident | 71.2 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 14% | 0.136 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.4 | -46.2 | 168 | -28.3 | 35.7 | 0 | 0 | 0 | 114.2 | I9 L10 L14 K15 I122 | I9-P12 WeakPolarHBondContact O-CD 3.37Å; L10-P12 VanDerWaalsContact C-N 3.34Å; P12-L14 VanDerWaalsContact C-N 3.34Å; P12-L14 PolarHBondContact O-N 3.01Å; P12-K15 WeakPolarHBondContact O-CB 3.15Å; P12-K15 PolarHBondContact O-N 2.93Å; P12-I122 HydrophobicContact CB-CD1 3.53Å; P12-I122 HydrophobicContact CB-CG1 4.4Å; P12-I122 HydrophobicContact CG-CD1 3.93Å |
| 13 | F | 74.6 | Confident | 71.5 | Confident | 49 Ų | 49 | 61.2 Ų | 61.2 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.8 | -35.2 | -179.7 | -63 | -71.9 | 0 | 0 | 0 | 112.9 | I9 L10 K15 F16 I122 V125 | I9-F13 HydrophobicContact CG2-CE2 4.33Å; I9-F13 WeakPolarHBondContact O-CD2 3.33Å; I9-F13 WeakPolarHBondContact O-CE2 3.48Å; L10-F13 PolarHBondContact O-N 3.48Å; F13-K15 PolarHBondContact O-N 3.43Å; F13-F16 PolarHBondContact O-N 2.71Å; F13-I122 HydrophobicContact CE1-CG2 4.32Å; F13-I122 HydrophobicContact CE2-CG1 4.39Å; F13-I122 HydrophobicContact CZ-CB 4.43Å; F13-I122 HydrophobicContact CZ-CG1 3.96Å; F13-I122 HydrophobicContact CZ-CG2 4.43Å; F13-V125 HydrophobicContact CE1-CG2 3.81Å; F13-V125 HydrophobicContact CZ-CG2 3.47Å; F13-V125 VanDerWaalsContact CZ-CG2 3.47Å |
| 14 | L | 76.6 | Confident | 71.5 | Confident | 27 Ų | 27 | 63.5 Ų | 63.5 | 14% | 0.141 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -61 | -14.4 | 176.1 | -75.8 | 174.6 | 0 | 0 | 0 | 114.4 | L10 P12 F16 T17 L20 L25 | L10-L14 PolarHBondContact O-N 2.9Å; P12-L14 VanDerWaalsContact C-N 3.34Å; P12-L14 PolarHBondContact O-N 3.01Å; L14-F16 VanDerWaalsContact C-N 3.33Å; L14-T17 PolarHBondContact O-OG1 3.47Å; L14-L20 HydrophobicContact CD2-CB 3.76Å; L14-L25 HydrophobicContact CD1-CD1 3.99Å; L14-L25 HydrophobicContact CD2-CD1 4.14Å; L14-L25 HydrophobicContact CD2-CD2 4.4Å; L14-L25 HydrophobicContact CG-CD1 4.3Å |
| 15 | K | 76 | Confident | 71.4 | Confident | 83 Ų | 83 | 60 Ų | 60 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -78.9 | -15.1 | 173.7 | -72.9 | -178.7 | 160.6 | -168.1 | 0 | 113.8 | P12 F13 T17 N107 Y108 R109 | P12-K15 WeakPolarHBondContact O-CB 3.15Å; P12-K15 PolarHBondContact O-N 2.93Å; F13-K15 PolarHBondContact O-N 3.43Å; K15-T17 VanDerWaalsContact C-N 3.3Å; K15-N107 WeakPolarHBondContact CD-O 3.45Å; K15-N107 PolarHBondContact NZ-O 2.89Å; K15-Y108 WeakPolarHBondContact CD-O 3.13Å; K15-Y108 PolarHBondContact NZ-O 3.1Å; K15-R109 PolarHBondContact NZ-O 3.04Å |
| 16 | F | 77.9 | Confident | 71.3 | Confident | 22 Ų | 22 | 67.4 Ų | 67.4 | 10% | 0.096 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -91.5 | 7.1 | 174.3 | -55.9 | -68.3 | 0 | 0 | 0 | 112.5 | F13 L14 L41 E42 A45 L46 L49 Y108 | F13-F16 PolarHBondContact O-N 2.71Å; L14-F16 VanDerWaalsContact C-N 3.33Å; F16-L41 CarbonylContact O-C 3.52Å; F16-L41 VanDerWaalsContact O-CA 3.26Å; F16-L41 WeakPolarHBondContact O-CA 3.36Å; F16-E42 PolarHBondContact O-N 3.21Å; F16-A45 HydrophobicContact CD1-CB 3.77Å; F16-A45 HydrophobicContact CE1-CB 4.27Å; F16-L46 HydrophobicContact CB-CD1 4.11Å; F16-L46 HydrophobicContact CD1-CD1 4.41Å; F16-L49 HydrophobicContact CD1-CD2 4.28Å; F16-L49 HydrophobicContact CE1-CB 4.08Å; F16-L49 HydrophobicContact CE1-CD1 4.39Å; F16-L49 HydrophobicContact CE1-CD2 3.71Å; F16-L49 HydrophobicContact CE1-CG 4.28Å; F16-L49 HydrophobicContact CE2-CD2 4.49Å; F16-L49 HydrophobicContact CZ-CD1 4.18Å; F16-L49 HydrophobicContact CZ-CD2 3.81Å; F16-L49 HydrophobicContact CZ-CG 4.45Å; F16-Y108 HydrophobicContact CE1-CD1 4.37Å; F16-Y108 HydrophobicContact CE2-CD1 4.47Å; F16-Y108 HydrophobicContact CE2-CG 4.42Å; F16-Y108 AromaticContact CZ-CD1 3.59Å; F16-Y108 HydrophobicContact CZ-CD1 3.59Å; F16-Y108 AromaticContact CZ-CG 3.89Å; F16-Y108 HydrophobicContact CZ-CG 3.89Å |
| 17 | T | 82.3 | Confident | 71.1 | Confident | 23 Ų | 23 | 66.2 Ų | 66.2 | 14% | 0.141 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -129.7 | 135.7 | -172.7 | 63 | 0 | 0 | 0 | 0 | 111.1 | L14 K15 L20 I39 E40 L41 | L14-T17 PolarHBondContact O-OG1 3.47Å; K15-T17 VanDerWaalsContact C-N 3.3Å; T17-L20 HydrophobicContact CG2-CD1 4.29Å; T17-I39 HydrophobicContact CG2-CG2 3.49Å; T17-I39 VanDerWaalsContact CG2-CG2 3.49Å; T17-E40 CarbonylContact C-O 3.57Å; T17-E40 WeakPolarHBondContact CA-O 3.41Å; T17-L41 HydrophobicContact CG2-CD2 4.21Å |
| 18 | K | 80.9 | Confident | 70.9 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 25% | 0.248 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -77.2 | 145 | 174.7 | -71.4 | 176.9 | 175.8 | 178.1 | 0 | 111.1 | L20 E40 L41 E42 E43 | K18-L20 PolarHBondContact O-N 2.84Å; K18-E40 HydrophobicContact CB-CB 3.95Å; K18-E40 HydrophobicContact CD-CB 4.26Å; K18-E40 PolarHBondContact N-O 3.29Å; K18-L41 WeakPolarHBondContact CE-O 3.27Å; K18-E42 WeakPolarHBondContact CE-OE2 3.32Å; K18-E42 VanDerWaalsContact CG-OE2 3.26Å; K18-E42 WeakPolarHBondContact CG-OE2 3.26Å; K18-E43 WeakPolarHBondContact CE-OE2 3.47Å; K18-E43 IonicContact NZ-OE1 2.66Å; K18-E43 PolarHBondContact NZ-OE1 2.73Å; K18-E43 IonicContact NZ-OE2 2.64Å; K18-E43 PolarHBondContact NZ-OE2 3.34Å |
| 19 | N | 70.5 | Confident | 70.1 | Confident | 133 Ų | 133 | 64.6 Ų | 64.6 | 71% | 0.711 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 57.8 | 6.1 | 166.5 | -57.9 | -46.4 | 0 | 0 | 0 | 117.5 | K24 | N19-K24 PolarHBondContact O-NZ 2.89Š|
| 20 | L | 72.7 | Confident | 69.5 | Low | 41 Ų | 41 | 71.8 Ų | 71.8 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | trans | -93.8 | 128.7 | 174 | -72 | -179.4 | 0 | 0 | 0 | 111.4 | L14 T17 K18 L36 I39 | L14-L20 HydrophobicContact CD2-CB 3.76Å; T17-L20 HydrophobicContact CG2-CD1 4.29Å; K18-L20 PolarHBondContact O-N 2.84Å; L20-L36 HydrophobicContact CD1-CD1 4.31Å; L20-I39 HydrophobicContact CD1-CB 4.48Å; L20-I39 HydrophobicContact CD1-CD1 4.06Å; L20-I39 HydrophobicContact CD1-CG1 4.08Å; L20-I39 HydrophobicContact CD1-CG2 3.78Å | ||
| 21 | S | 68.7 | Low | 69.2 | Low | 54 Ų | 54 | 79.4 Ų | 79.4 | 38% | 0.378 | 40% | 0.399 | S | S | . | . | trans | -117.6 | 154.1 | 174.5 | 68.7 | 0 | 0 | 0 | 0 | 110.6 | N23 K24 | S21-N23 PolarHBondContact O-N 2.91Å; S21-K24 PolarHBondContact O-N 3.38Å | ||
| 22 | S | 63.4 | Low | 68.9 | Low | 48 Ų | 48 | 73.2 Ų | 73.2 | 34% | 0.336 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -19.1 | -179.1 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | K6 | K6-S22 PolarHBondContact NZ-O 3.39Å; K6-S22 VanDerWaalsContact NZ-O 3.1Å |
| 23 | N | 65.2 | Low | 69.3 | Low | 142 Ų | 142 | 73.4 Ų | 73.4 | 76% | 0.759 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -32 | -178.1 | -59.8 | 2.6 | 0 | 0 | 0 | 111.4 | S21 L25 | S21-N23 PolarHBondContact O-N 2.91Å; N23-L25 VanDerWaalsContact C-N 3.27Å; N23-L25 PolarHBondContact O-N 2.88Å |
| 24 | K | 64.7 | Low | 69.5 | Low | 138 Ų | 138 | 71.5 Ų | 71.5 | 60% | 0.6 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -18 | 175.6 | -66.4 | -179.3 | 178.3 | 177 | 0 | 113.2 | N19 S21 H26 | N19-K24 PolarHBondContact O-NZ 2.89Å; S21-K24 PolarHBondContact O-N 3.38Å; K24-H26 PolarHBondContact O-N 2.81Å; K24-H26 VanDerWaalsContact O-N 3.16Å |
| 25 | L | 65.8 | Low | 69.7 | Low | 6 Ų | 6 | 76.7 Ų | 76.7 | 3% | 0.031 | 39% | 0.39 | C | S | . | . | trans | -76.1 | 101 | -177.1 | -58.6 | -174.5 | 0 | 0 | 0 | 112 | K6 L10 L14 N23 L34 L36 | K6-L25 VanDerWaalsContact CE-O 3.32Å; K6-L25 WeakPolarHBondContact CE-O 3.43Å; K6-L25 PolarHBondContact NZ-O 3.41Å; L10-L25 HydrophobicContact CB-CD1 4.39Å; L10-L25 HydrophobicContact CD2-CD1 3.98Å; L14-L25 HydrophobicContact CD1-CD1 3.99Å; L14-L25 HydrophobicContact CD2-CD1 4.14Å; L14-L25 HydrophobicContact CD2-CD2 4.4Å; L14-L25 HydrophobicContact CG-CD1 4.3Å; N23-L25 VanDerWaalsContact C-N 3.27Å; N23-L25 PolarHBondContact O-N 2.88Å; L25-L34 HydrophobicContact CB-CD1 4.14Å; L25-L34 HydrophobicContact CD1-CD2 4.28Å; L25-L34 HydrophobicContact CD2-CD1 4.17Å; L25-L34 HydrophobicContact CD2-CD2 4.16Å; L25-L36 HydrophobicContact CD2-CD1 3.98Å; L25-L36 HydrophobicContact CD2-CD2 3.96Å | ||
| 26 | H | 64 | Low | 69.9 | Low | 172 Ų | 172 | 74.5 Ų | 74.5 | 80% | 0.796 | 38% | 0.382 | S | S | * | . | trans | -81.6 | 123.4 | 167.7 | -151 | -86.6 | 0 | 0 | 0 | 109.6 | K24 L34 | K24-H26 PolarHBondContact O-N 2.81Å; K24-H26 VanDerWaalsContact O-N 3.16Å; H26-L34 VanDerWaalsContact O-CD1 3.27Å; H26-L34 WeakPolarHBondContact O-CD1 3.43Å | ||
| 27 | M | 63.5 | Low | 70 | Confident | 22 Ų | 22 | 81.1 Ų | 81.1 | 11% | 0.108 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.2 | -176.7 | 175.7 | -176.2 | -79.7 | 0 | 0 | 109.8 | L10 L29 I70 | L10-M27 HydrophobicContact CD1-CE 3.68Å; L10-M27 HydrophobicContact CD2-CE 4.15Å; M27-L29 VanDerWaalsContact C-N 3.29Å; M27-L29 PolarHBondContact O-N 3.31Å; M27-I70 HydrophobicContact CE-CD1 3.96Å |
| 28 | S | 63.5 | Low | 70 | Confident | 51 Ų | 51 | 84.7 Ų | 84.7 | 36% | 0.357 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 84.8 | 171.1 | 59.4 | 0 | 0 | 0 | 0 | 109.8 | L30 K31 G32 V33 | S28-L30 VanDerWaalsContact C-N 3.26Å; S28-L30 PolarHBondContact O-N 3.33Å; S28-K31 PolarHBondContact O-N 2.88Å; S28-G32 PolarHBondContact O-N 3.19Å; S28-V33 PolarHBondContact N-O 2.94Å; S28-V33 WeakPolarHBondContact OG-CB 3.32Å; S28-V33 PolarHBondContact OG-N 3.09Å; S28-V33 PolarHBondContact OG-O 2.71Å |
| 29 | L | 53.5 | Low | 70.1 | Confident | 103 Ų | 103 | 82.5 Ų | 82.5 | 54% | 0.539 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -36.1 | -162.6 | -162.4 | 154.4 | 0 | 0 | 0 | 114.7 | M27 | M27-L29 VanDerWaalsContact C-N 3.29Å; M27-L29 PolarHBondContact O-N 3.31Å |
| 30 | L | 57.1 | Low | 71 | Confident | 170 Ų | 170 | 81.3 Ų | 81.3 | 89% | 0.89 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -35.2 | 176.5 | -83.9 | 158.9 | 0 | 0 | 0 | 113.8 | S28 | S28-L30 VanDerWaalsContact C-N 3.26Å; S28-L30 PolarHBondContact O-N 3.33Å |
| 31 | K | 65.5 | Low | 71.7 | Confident | 172 Ų | 172 | 80.5 Ų | 80.5 | 75% | 0.748 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -21.1 | 179.4 | -60 | -175.2 | 177.1 | -177.6 | 0 | 112.4 | S28 V33 | S28-K31 PolarHBondContact O-N 2.88Å; K31-V33 VanDerWaalsContact C-N 3.27Å; K31-V33 HydrophobicContact CB-CG2 3.93Å; K31-V33 PolarHBondContact O-N 3.18Å |
| 32 | G | 68.7 | Low | 72.7 | Confident | 4 Ų | 4 | 80.8 Ų | 80.8 | 4% | 0.041 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 20.8 | -175 | 0 | 0 | 0 | 0 | 0 | 113.5 | S28 I70 | S28-G32 PolarHBondContact O-N 3.19Å; G32-I70 PolarHBondContact O-N 3.11Å |
| 33 | V | 79.3 | Confident | 73.9 | Confident | 24 Ų | 24 | 79.7 Ų | 79.7 | 15% | 0.145 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.4 | -177.4 | -169.7 | 0 | 0 | 0 | 0 | 110.6 | S28 K31 E35 V67 A68 K69 | S28-V33 PolarHBondContact N-O 2.94Å; S28-V33 WeakPolarHBondContact OG-CB 3.32Å; S28-V33 PolarHBondContact OG-N 3.09Å; S28-V33 PolarHBondContact OG-O 2.71Å; K31-V33 VanDerWaalsContact C-N 3.27Å; K31-V33 HydrophobicContact CB-CG2 3.93Å; K31-V33 PolarHBondContact O-N 3.18Å; V33-E35 HydrophobicContact CG1-CG 3.91Å; V33-V67 HydrophobicContact CG1-CG1 3.87Å; V33-A68 WeakPolarHBondContact CA-O 3.46Å; V33-K69 HydrophobicContact CG1-CG 4.43Å; V33-K69 HydrophobicContact CG2-CG 4.24Å |
| 34 | L | 79.2 | Confident | 74.8 | Confident | 9 Ų | 9 | 78 Ų | 78 | 5% | 0.047 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137.2 | 168.3 | 169 | 67.3 | 0 | 0 | 0 | 108.2 | L10 L25 H26 L36 V67 A68 | L10-L34 HydrophobicContact CD2-CD2 3.41Å; L10-L34 VanDerWaalsContact CD2-CD2 3.41Å; L25-L34 HydrophobicContact CB-CD1 4.14Å; L25-L34 HydrophobicContact CD1-CD2 4.28Å; L25-L34 HydrophobicContact CD2-CD1 4.17Å; L25-L34 HydrophobicContact CD2-CD2 4.16Å; H26-L34 VanDerWaalsContact O-CD1 3.27Å; H26-L34 WeakPolarHBondContact O-CD1 3.43Å; L34-L36 HydrophobicContact CD1-CD2 4.31Å; L34-L36 HydrophobicContact CD1-CG 4.24Å; L34-L36 HydrophobicContact CD2-CD1 4.18Å; L34-L36 HydrophobicContact CG-CD1 4.39Å; L34-L36 HydrophobicContact CG-CG 4.27Å; L34-V67 CarbonylContact O-C 3.56Å; L34-V67 WeakPolarHBondContact O-CA 3.41Å; L34-A68 HydrophobicContact CB-CB 4.43Å; L34-A68 PolarHBondContact N-O 3.35Å; L34-A68 PolarHBondContact O-N 3.45Å |
| 35 | E | 81 | Confident | 75.7 | Confident | 136 Ų | 136 | 72 Ų | 72 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 136.5 | -179.8 | -56.3 | 179.6 | 168.5 | 0 | 0 | 108.1 | V33 V66 V67 | V33-E35 HydrophobicContact CG1-CG 3.91Å; E35-V66 WeakPolarHBondContact CA-O 3.22Å; E35-V67 HydrophobicContact CB-CG2 4.42Å; E35-V67 HydrophobicContact CG-CG1 4.13Å; E35-V67 HydrophobicContact CG-CG2 4.05Å |
| 36 | L | 81.7 | Confident | 76.6 | Confident | 37 Ų | 37 | 72.8 Ų | 72.8 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 128.5 | -176.6 | -65.6 | 171.9 | 0 | 0 | 0 | 109.3 | L20 L25 L34 I39 N65 V66 | L20-L36 HydrophobicContact CD1-CD1 4.31Å; L25-L36 HydrophobicContact CD2-CD1 3.98Å; L25-L36 HydrophobicContact CD2-CD2 3.96Å; L34-L36 HydrophobicContact CD1-CD2 4.31Å; L34-L36 HydrophobicContact CD1-CG 4.24Å; L34-L36 HydrophobicContact CD2-CD1 4.18Å; L34-L36 HydrophobicContact CG-CD1 4.39Å; L34-L36 HydrophobicContact CG-CG 4.27Å; L36-I39 HydrophobicContact CB-CD1 3.88Å; L36-I39 HydrophobicContact CB-CG1 4.12Å; L36-I39 HydrophobicContact CD1-CD1 3.48Å; L36-I39 VanDerWaalsContact CD1-CD1 3.48Å; L36-I39 HydrophobicContact CD1-CG1 4.34Å; L36-I39 HydrophobicContact CG-CD1 4.32Å; L36-N65 CarbonylContact O-C 3.54Å; L36-N65 WeakPolarHBondContact O-CA 3.38Å; L36-V66 HydrophobicContact CB-CB 4.41Å; L36-V66 PolarHBondContact N-O 3.24Å; L36-V66 PolarHBondContact O-N 3Å |
| 37 | E | 79.7 | Confident | 77.5 | Confident | 161 Ų | 161 | 65.3 Ų | 65.3 | 75% | 0.752 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -55 | -171.5 | -64.9 | 175.2 | 170.5 | 0 | 0 | 113.5 | T64 N65 | E37-T64 CarbonylContact O-C 3.55Å; E37-T64 WeakPolarHBondContact O-CA 3.31Å; E37-N65 PolarHBondContact O-N 2.81Å |
| 38 | T | 80.7 | Confident | 78.1 | Confident | 98 Ų | 98 | 66.1 Ų | 66.1 | 60% | 0.601 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 134.7 | 178.1 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | C63 | T38-C63 WeakPolarHBondContact CA-O 3.06Å |
| 39 | I | 84.5 | Confident | 78.8 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 6% | 0.056 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 122.5 | -178.7 | -53 | -173.8 | 0 | 0 | 0 | 109.6 | T17 L20 L36 L41 H62 C63 V66 | T17-I39 HydrophobicContact CG2-CG2 3.49Å; T17-I39 VanDerWaalsContact CG2-CG2 3.49Å; L20-I39 HydrophobicContact CD1-CB 4.48Å; L20-I39 HydrophobicContact CD1-CD1 4.06Å; L20-I39 HydrophobicContact CD1-CG1 4.08Å; L20-I39 HydrophobicContact CD1-CG2 3.78Å; L36-I39 HydrophobicContact CB-CD1 3.88Å; L36-I39 HydrophobicContact CB-CG1 4.12Å; L36-I39 HydrophobicContact CD1-CD1 3.48Å; L36-I39 VanDerWaalsContact CD1-CD1 3.48Å; L36-I39 HydrophobicContact CD1-CG1 4.34Å; L36-I39 HydrophobicContact CG-CD1 4.32Å; I39-L41 HydrophobicContact CG2-CD2 4.04Å; I39-H62 CarbonylContact O-C 3.57Å; I39-H62 VanDerWaalsContact O-CA 3.31Å; I39-H62 WeakPolarHBondContact O-CA 3.44Å; I39-C63 PolarHBondContact N-O 3.42Å; I39-C63 PolarHBondContact O-N 3.15Å; I39-V66 HydrophobicContact CD1-CB 3.79Å; I39-V66 HydrophobicContact CD1-CG1 4.09Å; I39-V66 HydrophobicContact CD1-CG2 3.71Å; I39-V66 HydrophobicContact CG1-CG2 4.12Å |
| 40 | E | 87.7 | Confident | 80 | Confident | 108 Ų | 108 | 68 Ų | 68 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 134.8 | 162.9 | -70.1 | 179 | 168.7 | 0 | 0 | 109.8 | T17 K18 | T17-E40 CarbonylContact C-O 3.57Å; T17-E40 WeakPolarHBondContact CA-O 3.41Å; K18-E40 HydrophobicContact CB-CB 3.95Å; K18-E40 HydrophobicContact CD-CB 4.26Å; K18-E40 PolarHBondContact N-O 3.29Å |
| 41 | L | 89.3 | Confident | 80.9 | Confident | 25 Ų | 25 | 66.1 Ų | 66.1 | 13% | 0.131 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -94.2 | 154.5 | 178.8 | -56.5 | -173.7 | 0 | 0 | 0 | 112 | F16 T17 K18 I39 L46 A61 | F16-L41 CarbonylContact O-C 3.52Å; F16-L41 VanDerWaalsContact O-CA 3.26Å; F16-L41 WeakPolarHBondContact O-CA 3.36Å; T17-L41 HydrophobicContact CG2-CD2 4.21Å; K18-L41 WeakPolarHBondContact CE-O 3.27Å; I39-L41 HydrophobicContact CG2-CD2 4.04Å; L41-L46 HydrophobicContact CB-CD1 3.87Å; L41-L46 HydrophobicContact CB-CD2 4.35Å; L41-L46 HydrophobicContact CD1-CD1 4.19Å; L41-L46 HydrophobicContact CD1-CD2 3.62Å; L41-A61 HydrophobicContact CB-CB 4.09Å; L41-A61 HydrophobicContact CD1-CB 4.02Å; L41-A61 HydrophobicContact CG-CB 4.34Å; L41-A61 PolarHBondContact N-O 3.32Å |
| 42 | E | 88.3 | Confident | 82 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | trans | -88.1 | 106.7 | 177.4 | -177.9 | 62.1 | -162.1 | 0 | 0 | 110.1 | F16 K18 N44 A45 L46 | F16-E42 PolarHBondContact O-N 3.21Å; K18-E42 WeakPolarHBondContact CE-OE2 3.32Å; K18-E42 VanDerWaalsContact CG-OE2 3.26Å; K18-E42 WeakPolarHBondContact CG-OE2 3.26Å; E42-N44 PolarHBondContact O-N 2.66Å; E42-A45 HydrophobicContact CB-CB 4.11Å; E42-A45 HydrophobicContact CG-CB 3.92Å; E42-A45 PolarHBondContact O-N 3.27Å; E42-L46 WeakPolarHBondContact O-CD1 3.16Å; E42-L46 PolarHBondContact O-N 2.8Å | ||
| 43 | E | 89.3 | Confident | 83 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 12% | 0.117 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.6 | -39.6 | -166.2 | -57.4 | 82.6 | -176.9 | 0 | 0 | 112.4 | K18 A45 L46 M47 L58 | K18-E43 WeakPolarHBondContact CE-OE2 3.47Å; K18-E43 IonicContact NZ-OE1 2.66Å; K18-E43 PolarHBondContact NZ-OE1 2.73Å; K18-E43 IonicContact NZ-OE2 2.64Å; K18-E43 PolarHBondContact NZ-OE2 3.34Å; E43-A45 VanDerWaalsContact C-N 3.33Å; E43-A45 PolarHBondContact O-N 3.24Å; E43-L46 PolarHBondContact O-N 3.5Å; E43-M47 HydrophobicContact CB-CE 4.3Å; E43-M47 WeakPolarHBondContact O-CB 3.18Å; E43-M47 WeakPolarHBondContact O-CG 3.49Å; E43-M47 PolarHBondContact O-N 2.64Å; E43-L58 HydrophobicContact CB-CB 4.2Å; E43-L58 HydrophobicContact CB-CD2 3.89Å; E43-L58 HydrophobicContact CB-CG 3.79Å; E43-L58 HydrophobicContact CG-CD2 4.18Å; E43-L58 HydrophobicContact CG-CG 3.82Å |
| 44 | N | 84.5 | Confident | 83.5 | Confident | 107 Ų | 107 | 62.2 Ų | 62.2 | 57% | 0.572 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | 178.1 | -65.8 | -44.5 | 0 | 0 | 0 | 111.8 | E42 E48 | E42-N44 PolarHBondContact O-N 2.66Å; N44-E48 PolarHBondContact O-N 3.22Å |
| 45 | A | 82.3 | Confident | 84.1 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.9 | -33.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | F16 E42 E43 L49 | F16-A45 HydrophobicContact CD1-CB 3.77Å; F16-A45 HydrophobicContact CE1-CB 4.27Å; E42-A45 HydrophobicContact CB-CB 4.11Å; E42-A45 HydrophobicContact CG-CB 3.92Å; E42-A45 PolarHBondContact O-N 3.27Å; E43-A45 VanDerWaalsContact C-N 3.33Å; E43-A45 PolarHBondContact O-N 3.24Å; A45-L49 VanDerWaalsContact O-CB 3.25Å; A45-L49 WeakPolarHBondContact O-CB 3.28Å; A45-L49 PolarHBondContact O-N 2.82Å; A45-L49 VanDerWaalsContact O-N 3.11Å |
| 46 | L | 84.9 | Confident | 84.7 | Confident | 22 Ų | 22 | 58 Ų | 58 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.2 | -43.9 | 172.9 | -94.5 | 79.6 | 0 | 0 | 0 | 112.7 | F16 L41 E42 E43 E48 L49 L50 L58 | F16-L46 HydrophobicContact CB-CD1 4.11Å; F16-L46 HydrophobicContact CD1-CD1 4.41Å; L41-L46 HydrophobicContact CB-CD1 3.87Å; L41-L46 HydrophobicContact CB-CD2 4.35Å; L41-L46 HydrophobicContact CD1-CD1 4.19Å; L41-L46 HydrophobicContact CD1-CD2 3.62Å; E42-L46 WeakPolarHBondContact O-CD1 3.16Å; E42-L46 PolarHBondContact O-N 2.8Å; E43-L46 PolarHBondContact O-N 3.5Å; L46-E48 VanDerWaalsContact C-N 3.27Å; L46-E48 PolarHBondContact O-N 3.44Å; L46-L49 PolarHBondContact O-N 3.16Å; L46-L50 WeakPolarHBondContact O-CB 3.35Å; L46-L50 WeakPolarHBondContact O-CG 3.35Å; L46-L50 PolarHBondContact O-N 3.01Å; L46-L58 HydrophobicContact CB-CD2 3.7Å; L46-L58 HydrophobicContact CD2-CD2 4.18Å |
| 47 | M | 83.1 | Confident | 85.3 | Confident | 16 Ų | 16 | 58.7 Ų | 58.7 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.8 | -40.4 | 179 | -77.2 | -173.4 | -74.1 | 0 | 0 | 111.9 | E43 D51 L52 L57 L58 | E43-M47 HydrophobicContact CB-CE 4.3Å; E43-M47 WeakPolarHBondContact O-CB 3.18Å; E43-M47 WeakPolarHBondContact O-CG 3.49Å; E43-M47 PolarHBondContact O-N 2.64Å; M47-D51 PolarHBondContact O-N 2.89Å; M47-L52 HydrophobicContact CB-CB 4.41Å; M47-L52 HydrophobicContact CG-CB 4.34Å; M47-L52 HydrophobicContact CG-CD1 3.87Å; M47-L52 PolarHBondContact O-N 3.01Å; M47-L57 HydrophobicContact CE-CD1 4.08Å; M47-L57 HydrophobicContact SD-CD1 4.04Å; M47-L58 HydrophobicContact CE-CB 4.42Å; M47-L58 HydrophobicContact CG-CB 3.64Å; M47-L58 HydrophobicContact CG-CD2 4.41Å; M47-L58 HydrophobicContact SD-CB 3.85Å; M47-L58 PolarHBondContact SD-N 3.07Å |
| 48 | E | 76.8 | Confident | 86 | Confident | 39 Ų | 39 | 51.3 Ų | 51.3 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -73.1 | -37.8 | 175.4 | -172.3 | -178.6 | -129.2 | 0 | 0 | 112.9 | N44 L46 S103 A106 N107 | N44-E48 PolarHBondContact O-N 3.22Å; L46-E48 VanDerWaalsContact C-N 3.27Å; L46-E48 PolarHBondContact O-N 3.44Å; E48-S103 WeakPolarHBondContact OE1-CB 3.29Å; E48-S103 PolarHBondContact OE1-OG 3.47Å; E48-A106 WeakPolarHBondContact OE2-CA 3.42Å; E48-N107 PolarHBondContact OE1-ND2 3.46Å; E48-N107 VanDerWaalsContact OE2-CB 3.32Å; E48-N107 WeakPolarHBondContact OE2-CB 2.96Å; E48-N107 PolarHBondContact OE2-N 2.84Å; E48-N107 PolarHBondContact OE2-ND2 3.34Å |
| 49 | L | 77.2 | Confident | 86.6 | Confident | 84 Ų | 84 | 51.6 Ų | 51.6 | 44% | 0.44 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 178.3 | -179.3 | 69.2 | 0 | 0 | 0 | 112.8 | F16 A45 L46 Y108 | F16-L49 HydrophobicContact CD1-CD2 4.28Å; F16-L49 HydrophobicContact CE1-CB 4.08Å; F16-L49 HydrophobicContact CE1-CD1 4.39Å; F16-L49 HydrophobicContact CE1-CD2 3.71Å; F16-L49 HydrophobicContact CE1-CG 4.28Å; F16-L49 HydrophobicContact CE2-CD2 4.49Å; F16-L49 HydrophobicContact CZ-CD1 4.18Å; F16-L49 HydrophobicContact CZ-CD2 3.81Å; F16-L49 HydrophobicContact CZ-CG 4.45Å; A45-L49 VanDerWaalsContact O-CB 3.25Å; A45-L49 WeakPolarHBondContact O-CB 3.28Å; A45-L49 PolarHBondContact O-N 2.82Å; A45-L49 VanDerWaalsContact O-N 3.11Å; L46-L49 PolarHBondContact O-N 3.16Å; L49-Y108 HydrophobicContact CD1-CD1 4.43Å; L49-Y108 HydrophobicContact CD1-CE1 4.15Å |
| 50 | L | 78.5 | Confident | 87 | Confident | 110 Ų | 110 | 55.8 Ų | 55.8 | 58% | 0.576 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -4.7 | -176.9 | -64.5 | 175.6 | 0 | 0 | 0 | 113.4 | L46 L52 | L46-L50 WeakPolarHBondContact O-CB 3.35Å; L46-L50 WeakPolarHBondContact O-CG 3.35Å; L46-L50 PolarHBondContact O-N 3.01Å; L50-L52 HydrophobicContact CB-CG 4.12Å; L50-L52 HydrophobicContact CD1-CD1 4.27Å; L50-L52 PolarHBondContact O-N 3.02Å |
| 51 | D | 77.7 | Confident | 87.2 | Confident | 130 Ų | 130 | 50.8 Ų | 50.8 | 70% | 0.695 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 45.5 | -171.5 | -156.7 | 18 | 0 | 0 | 0 | 111.6 | M47 | M47-D51 PolarHBondContact O-N 2.89Š|
| 52 | L | 86.9 | Confident | 87.4 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | trans | -63.8 | 127.5 | -173.9 | -98 | 169.8 | 0 | 0 | 0 | 110.3 | M47 L50 T54 L58 R98 | M47-L52 HydrophobicContact CB-CB 4.41Å; M47-L52 HydrophobicContact CG-CB 4.34Å; M47-L52 HydrophobicContact CG-CD1 3.87Å; M47-L52 PolarHBondContact O-N 3.01Å; L50-L52 HydrophobicContact CB-CG 4.12Å; L50-L52 HydrophobicContact CD1-CD1 4.27Å; L50-L52 PolarHBondContact O-N 3.02Å; L52-T54 PolarHBondContact O-N 3.06Å; L52-L58 HydrophobicContact CD1-CB 4.43Å; L52-R98 PolarHBondContact O-NH2 3.27Å | ||
| 53 | P | 90 | Very high | 87.6 | Confident | 60 Ų | 60 | 50.6 Ų | 50.6 | 39% | 0.39 | 26% | 0.255 | S | S | . | . | trans | -48.4 | 140.2 | -176.9 | -30.8 | 35.4 | 0 | 0 | 0 | 113.1 | W55 L56 R98 | P53-W55 PolarHBondContact O-N 2.87Å; P53-L56 HydrophobicContact CB-CD1 4.43Å; P53-L56 HydrophobicContact CG-CD1 4.31Å; P53-L56 PolarHBondContact O-N 2.59Å; P53-R98 PolarHBondContact O-NH2 3.01Å | ||
| 54 | T | 89.7 | Confident | 87.7 | Confident | 24 Ų | 24 | 51 Ų | 51 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.5 | -170.8 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | L52 R98 A278 Q281 | L52-T54 PolarHBondContact O-N 3.06Å; T54-R98 PolarHBondContact O-N 3.03Å; T54-R98 PolarHBondContact O-NH1 2.68Å; T54-A278 WeakPolarHBondContact OG1-CB 3.47Å; T54-Q281 VanDerWaalsContact CB-OE1 3.29Å; T54-Q281 PolarHBondContact OG1-OE1 3.16Å |
| 55 | W | 93.2 | Very high | 87.9 | Confident | 38 Ų | 38 | 49.8 Ų | 49.8 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -4.3 | 172.9 | 68.9 | -85.1 | 0 | 0 | 0 | 115.1 | P53 A93 L94 F136 L271 I275 A278 | P53-W55 PolarHBondContact O-N 2.87Å; W55-A93 HydrophobicContact CE3-CB 4.14Å; W55-A93 HydrophobicContact CZ3-CB 4.04Å; W55-L94 PolarHBondContact O-N 3.07Å; W55-F136 HydrophobicContact CH2-CZ 4.43Å; W55-F136 HydrophobicContact CZ3-CZ 4.17Å; W55-L271 HydrophobicContact CH2-CD1 4.07Å; W55-L271 HydrophobicContact CZ3-CB 4.49Å; W55-L271 HydrophobicContact CZ3-CD1 4.1Å; W55-L271 HydrophobicContact CZ3-CD2 3.99Å; W55-L271 HydrophobicContact CZ3-CG 4.43Å; W55-I275 HydrophobicContact CD2-CG1 3.85Å; W55-I275 HydrophobicContact CE3-CG1 4.23Å; W55-I275 HydrophobicContact CG-CG1 4.36Å; W55-I275 HydrophobicContact CH2-CD1 4.13Å; W55-I275 HydrophobicContact CH2-CG1 4.21Å; W55-I275 HydrophobicContact CZ2-CD1 3.98Å; W55-I275 HydrophobicContact CZ2-CG1 3.82Å; W55-I275 HydrophobicContact CZ3-CG1 4.38Å; W55-A278 HydrophobicContact CB-CB 4Å; W55-A278 HydrophobicContact CG-CB 4.2Å |
| 56 | L | 93.3 | Very high | 88.2 | Confident | 19 Ų | 19 | 50 Ų | 50 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 102.7 | -175.9 | -72.9 | -177.3 | 0 | 0 | 0 | 113 | P53 Q92 R98 F136 | P53-L56 HydrophobicContact CB-CD1 4.43Å; P53-L56 HydrophobicContact CG-CD1 4.31Å; P53-L56 PolarHBondContact O-N 2.59Å; L56-Q92 CarbonylContact C-O 3.56Å; L56-R98 VanDerWaalsContact O-CZ 3.28Å; L56-R98 PolarHBondContact O-NH1 2.92Å; L56-R98 PolarHBondContact O-NH2 2.73Å; L56-F136 HydrophobicContact CD2-CE2 3.53Å; L56-F136 HydrophobicContact CD2-CZ 4.04Å |
| 57 | L | 93.9 | Very high | 88.4 | Confident | 50 Ų | 50 | 50.5 Ų | 50.5 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 129.7 | 177.5 | 179.5 | 64.2 | 0 | 0 | 0 | 111.7 | M47 R59 L91 Q92 L94 | M47-L57 HydrophobicContact CE-CD1 4.08Å; M47-L57 HydrophobicContact SD-CD1 4.04Å; L57-R59 HydrophobicContact CD2-CG 4.26Å; L57-R59 HydrophobicContact CG-CG 4.4Å; L57-L91 CarbonylContact O-C 3.55Å; L57-L91 WeakPolarHBondContact O-CA 3.48Å; L57-Q92 HydrophobicContact CB-CB 4.46Å; L57-Q92 PolarHBondContact N-O 3.08Å; L57-Q92 PolarHBondContact O-N 3.36Å; L57-L94 HydrophobicContact CB-CD1 4.05Å; L57-L94 HydrophobicContact CB-CD2 3.88Å; L57-L94 HydrophobicContact CB-CG 3.97Å; L57-L94 HydrophobicContact CD2-CD2 4.14Å |
| 58 | L | 94.3 | Very high | 88.6 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 112.6 | 162.6 | 179.7 | 58.2 | 0 | 0 | 0 | 109.1 | E43 L46 M47 L52 K60 A61 I89 L91 | E43-L58 HydrophobicContact CB-CB 4.2Å; E43-L58 HydrophobicContact CB-CD2 3.89Å; E43-L58 HydrophobicContact CB-CG 3.79Å; E43-L58 HydrophobicContact CG-CD2 4.18Å; E43-L58 HydrophobicContact CG-CG 3.82Å; L46-L58 HydrophobicContact CB-CD2 3.7Å; L46-L58 HydrophobicContact CD2-CD2 4.18Å; M47-L58 HydrophobicContact CE-CB 4.42Å; M47-L58 HydrophobicContact CG-CB 3.64Å; M47-L58 HydrophobicContact CG-CD2 4.41Å; M47-L58 HydrophobicContact SD-CB 3.85Å; M47-L58 PolarHBondContact SD-N 3.07Å; L52-L58 HydrophobicContact CD1-CB 4.43Å; L58-K60 WeakPolarHBondContact CD1-O 3.45Å; L58-A61 HydrophobicContact CD1-CB 4.26Å; L58-I89 HydrophobicContact CD1-CG2 3.41Å; L58-I89 VanDerWaalsContact CD1-CG2 3.41Å; L58-L91 HydrophobicContact CB-CD2 4.2Å; L58-L91 HydrophobicContact CD1-CD2 3.85Å |
| 59 | R | 92.9 | Very high | 89.2 | Confident | 104 Ų | 104 | 52.7 Ų | 52.7 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -42.9 | -178.7 | -66.5 | 177.2 | 64.7 | -146.7 | -1.2 | 112.4 | L57 E90 Q92 F137 | L57-R59 HydrophobicContact CD2-CG 4.26Å; L57-R59 HydrophobicContact CG-CG 4.4Å; R59-E90 HydrophobicContact CB-CB 3.93Å; R59-E90 IonicContact CZ-OE2 3.86Å; R59-E90 PolarHBondContact N-O 3.32Å; R59-E90 IonicContact NE-OE2 2.64Å; R59-E90 IonicContact NH1-OE2 3.27Å; R59-E90 PolarHBondContact NH1-OE2 3.27Å; R59-E90 IonicContact NH2-OE2 3.06Å; R59-Q92 HydrophobicContact CG-CB 4.08Å; R59-F137 VanDerWaalsContact NH1-CE2 3.31Å |
| 60 | K | 92.6 | Very high | 89.6 | Confident | 99 Ų | 99 | 49 Ų | 49 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 152.5 | 177.5 | -57.1 | -168.9 | -155.8 | 122.5 | 0 | 109.9 | L58 E90 | L58-K60 WeakPolarHBondContact CD1-O 3.45Å; K60-E90 HydrophobicContact CB-CB 4.35Å; K60-E90 HydrophobicContact CB-CG 4.46Å; K60-E90 WeakPolarHBondContact CD-OE1 3.35Å; K60-E90 WeakPolarHBondContact CE-OE1 3.47Å; K60-E90 IonicContact NZ-OE1 3.13Å; K60-E90 PolarHBondContact NZ-OE1 3.32Å; K60-E90 IonicContact NZ-OE2 3.44Å; K60-E90 PolarHBondContact NZ-OE2 3.11Å; K60-E90 PolarHBondContact O-N 2.78Å |
| 61 | A | 93.3 | Very high | 89.9 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 140.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | L41 L58 N88 I89 | L41-A61 HydrophobicContact CB-CB 4.09Å; L41-A61 HydrophobicContact CD1-CB 4.02Å; L41-A61 HydrophobicContact CG-CB 4.34Å; L41-A61 PolarHBondContact N-O 3.32Å; L58-A61 HydrophobicContact CD1-CB 4.26Å; A61-N88 VanDerWaalsContact CA-O 3.29Å; A61-N88 WeakPolarHBondContact CA-O 3.32Å; A61-I89 HydrophobicContact CB-CG1 4.4Å |
| 62 | H | 93 | Very high | 89.7 | Confident | 76 Ų | 76 | 48 Ų | 48 | 35% | 0.352 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 147.6 | 175.5 | 64.3 | -97.7 | 0 | 0 | 0 | 112.3 | I39 I87 N88 | I39-H62 CarbonylContact O-C 3.57Å; I39-H62 VanDerWaalsContact O-CA 3.31Å; I39-H62 WeakPolarHBondContact O-CA 3.44Å; H62-I87 WeakPolarHBondContact O-CA 3.5Å; H62-N88 PolarHBondContact N-O 3.36Å; H62-N88 PolarHBondContact O-N 3.11Å |
| 63 | C | 91.6 | Very high | 89.5 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.034 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 142.5 | 178.7 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | T38 I39 V66 I84 H86 | T38-C63 WeakPolarHBondContact CA-O 3.06Å; I39-C63 PolarHBondContact N-O 3.42Å; I39-C63 PolarHBondContact O-N 3.15Å; C63-V66 HydrophobicContact CB-CG2 3.65Å; C63-I84 HydrophobicContact CB-CG2 3.94Å; C63-H86 CarbonylContact C-O 3.6Å; C63-H86 VanDerWaalsContact CA-O 3.28Å; C63-H86 WeakPolarHBondContact CA-O 3.37Å |
| 64 | T | 91.5 | Very high | 89.3 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 20% | 0.202 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 148.4 | 171.2 | 63.2 | 0 | 0 | 0 | 0 | 112.2 | E37 V66 I84 D85 H86 | E37-T64 CarbonylContact O-C 3.55Å; E37-T64 WeakPolarHBondContact O-CA 3.31Å; T64-V66 PolarHBondContact O-N 2.95Å; T64-I84 WeakPolarHBondContact O-CG2 3.38Å; T64-D85 PolarHBondContact O-N 3.44Å; T64-H86 PolarHBondContact N-O 3.37Å; T64-H86 WeakPolarHBondContact OG1-CB 3.39Å; T64-H86 PolarHBondContact OG1-N 3.09Å |
| 65 | N | 88.7 | Confident | 89 | Confident | 81 Ų | 81 | 53.2 Ų | 53.2 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.8 | 61.8 | 177.4 | -62 | -19.9 | 0 | 0 | 0 | 113.4 | L36 E37 V67 D85 | L36-N65 CarbonylContact O-C 3.54Å; L36-N65 WeakPolarHBondContact O-CA 3.38Å; E37-N65 PolarHBondContact O-N 2.81Å; N65-V67 PolarHBondContact O-N 2.99Å; N65-D85 HydrophobicContact CB-CB 4.08Å; N65-D85 WeakPolarHBondContact CB-OD2 3.46Å; N65-D85 PolarHBondContact ND2-OD2 3.13Å |
| 66 | V | 88.8 | Confident | 88.5 | Confident | 16 Ų | 16 | 59.1 Ų | 59.1 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 108.6 | 179.3 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | E35 L36 I39 C63 T64 I82 I84 | E35-V66 WeakPolarHBondContact CA-O 3.22Å; L36-V66 HydrophobicContact CB-CB 4.41Å; L36-V66 PolarHBondContact N-O 3.24Å; L36-V66 PolarHBondContact O-N 3Å; I39-V66 HydrophobicContact CD1-CB 3.79Å; I39-V66 HydrophobicContact CD1-CG1 4.09Å; I39-V66 HydrophobicContact CD1-CG2 3.71Å; I39-V66 HydrophobicContact CG1-CG2 4.12Å; C63-V66 HydrophobicContact CB-CG2 3.65Å; T64-V66 PolarHBondContact O-N 2.95Å; V66-I82 HydrophobicContact CG1-CG2 3.92Å; V66-I84 HydrophobicContact CG1-CG1 4.24Å; V66-I84 HydrophobicContact CG2-CD1 4.4Å; V66-I84 HydrophobicContact CG2-CG1 4.1Å; V66-I84 HydrophobicContact CG2-CG2 4.19Å |
| 67 | V | 89.3 | Confident | 88.1 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 19% | 0.194 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 115.6 | 177.7 | 178.4 | 0 | 0 | 0 | 0 | 109.7 | V33 L34 E35 N65 K69 S83 | V33-V67 HydrophobicContact CG1-CG1 3.87Å; L34-V67 CarbonylContact O-C 3.56Å; L34-V67 WeakPolarHBondContact O-CA 3.41Å; E35-V67 HydrophobicContact CB-CG2 4.42Å; E35-V67 HydrophobicContact CG-CG1 4.13Å; E35-V67 HydrophobicContact CG-CG2 4.05Å; N65-V67 PolarHBondContact O-N 2.99Å; V67-K69 HydrophobicContact CG1-CG 4.45Å; V67-S83 PolarHBondContact N-O 3.36Å; V67-S83 PolarHBondContact O-N 2.88Å; V67-S83 PolarHBondContact O-OG 3.24Å |
| 68 | A | 87.6 | Confident | 87.9 | Confident | 11 Ų | 11 | 60.7 Ų | 60.7 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V33 L34 L81 I82 | V33-A68 WeakPolarHBondContact CA-O 3.46Å; L34-A68 HydrophobicContact CB-CB 4.43Å; L34-A68 PolarHBondContact N-O 3.35Å; L34-A68 PolarHBondContact O-N 3.45Å; A68-L81 CarbonylContact C-O 3.57Å; A68-L81 WeakPolarHBondContact CA-O 3.35Å; A68-I82 HydrophobicContact CB-CG1 4.33Å |
| 69 | K | 89 | Confident | 87.8 | Confident | 91 Ų | 91 | 62.3 Ų | 62.3 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 116 | 177.7 | -60.4 | 177.6 | -176.9 | 166.6 | 0 | 109.8 | V33 V67 L81 | V33-K69 HydrophobicContact CG1-CG 4.43Å; V33-K69 HydrophobicContact CG2-CG 4.24Å; V67-K69 HydrophobicContact CG1-CG 4.45Å; K69-L81 HydrophobicContact CB-CB 4.44Å; K69-L81 HydrophobicContact CD-CD2 4.44Å; K69-L81 PolarHBondContact N-O 3.06Å; K69-L81 PolarHBondContact O-N 3.08Å; K69-L81 VanDerWaalsContact O-N 3.12Å |
| 70 | I | 86 | Confident | 87.7 | Confident | 7 Ų | 7 | 57.6 Ų | 57.6 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | trans | -116.3 | 101 | -171.7 | -54.5 | 174.5 | 0 | 0 | 0 | 110.6 | L5 L10 M27 G32 W72 L75 V80 | L5-I70 HydrophobicContact CD2-CG2 3.66Å; L10-I70 HydrophobicContact CD1-CD1 3.8Å; L10-I70 HydrophobicContact CD2-CD1 4.36Å; L10-I70 HydrophobicContact CG-CD1 4.26Å; M27-I70 HydrophobicContact CE-CD1 3.96Å; G32-I70 PolarHBondContact O-N 3.11Å; I70-W72 HydrophobicContact CG2-CB 4.35Å; I70-W72 PolarHBondContact O-N 2.66Å; I70-L75 HydrophobicContact CG2-CD2 4.16Å; I70-V80 HydrophobicContact CG1-CG1 3.92Å; I70-V80 HydrophobicContact CG1-CG2 4.37Å; I70-V80 HydrophobicContact CG2-CG2 4.21Å | ||
| 71 | H | 83.6 | Confident | 87.7 | Confident | 104 Ų | 104 | 54.9 Ų | 54.9 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | trans | -76.3 | 69 | 173.5 | -64.9 | -82.4 | 0 | 0 | 0 | 111.3 | T73 K74 L75 | H71-T73 PolarHBondContact O-N 2.82Å; H71-K74 PolarHBondContact O-N 2.81Å; H71-L75 PolarHBondContact O-N 3.12Å | ||
| 72 | W | 75.4 | Confident | 87.6 | Confident | 114 Ų | 114 | 55.9 Ų | 55.9 | 43% | 0.432 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -28.2 | -166.5 | 67.4 | -92.6 | 0 | 0 | 0 | 115.5 | M1 L5 I70 L75 | M1-W72 HydrophobicContact CE-CE3 3.94Å; M1-W72 HydrophobicContact CE-CZ3 3.81Å; L5-W72 HydrophobicContact CD1-CB 3.98Å; L5-W72 HydrophobicContact CD1-CG 4.22Å; L5-W72 HydrophobicContact CD2-CB 3.94Å; L5-W72 HydrophobicContact CG-CB 4.42Å; I70-W72 HydrophobicContact CG2-CB 4.35Å; I70-W72 PolarHBondContact O-N 2.66Å; W72-L75 HydrophobicContact CB-CD1 4.47Å; W72-L75 WeakPolarHBondContact O-CD1 3.48Å |
| 73 | T | 82 | Confident | 87.7 | Confident | 103 Ų | 103 | 53.7 Ų | 53.7 | 63% | 0.632 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -22.4 | 174.9 | 50.1 | 0 | 0 | 0 | 0 | 113.7 | H71 | H71-T73 PolarHBondContact O-N 2.82Š|
| 74 | K | 85.5 | Confident | 87.8 | Confident | 107 Ų | 107 | 54.1 Ų | 54.1 | 47% | 0.465 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -115.4 | 14 | -172.8 | -62.1 | -168.4 | -178.6 | -178.1 | 0 | 114.1 | H71 K76 T77 H78 | H71-K74 PolarHBondContact O-N 2.81Å; K74-K76 PolarHBondContact O-N 3.04Å; K74-T77 PolarHBondContact O-N 2.85Å; K74-T77 PolarHBondContact O-OG1 3.16Å; K74-H78 HydrophobicContact CB-CB 4.04Å; K74-H78 PolarHBondContact O-N 3.03Å |
| 75 | L | 83.4 | Confident | 88 | Confident | 17 Ų | 17 | 55 Ų | 55 | 9% | 0.089 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -14.3 | -176.9 | -69.5 | 169.4 | 0 | 0 | 0 | 116.4 | I9 I70 H71 W72 V80 F117 V121 | I9-L75 HydrophobicContact CD1-CD1 3.44Å; I9-L75 VanDerWaalsContact CD1-CD1 3.44Å; I70-L75 HydrophobicContact CG2-CD2 4.16Å; H71-L75 PolarHBondContact O-N 3.12Å; W72-L75 HydrophobicContact CB-CD1 4.47Å; W72-L75 WeakPolarHBondContact O-CD1 3.48Å; L75-V80 HydrophobicContact CD2-CG2 3.81Å; L75-F117 HydrophobicContact CB-CZ 3.91Å; L75-V121 HydrophobicContact CB-CG2 4.31Å; L75-V121 HydrophobicContact CD2-CG1 4.36Å |
| 76 | K | 81.8 | Confident | 88.3 | Confident | 162 Ų | 162 | 55.5 Ų | 55.5 | 70% | 0.704 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -18.1 | 172.7 | -71.6 | -176.9 | 177.5 | -177.6 | 0 | 113.6 | K74 F117 | K74-K76 PolarHBondContact O-N 3.04Å; K76-F117 HydrophobicContact CG-CE2 3.74Å; K76-F117 HydrophobicContact CG-CZ 4.46Å |
| 77 | T | 86.1 | Confident | 88.6 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 26% | 0.258 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.8 | -29.1 | -172.3 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | K74 L163 L164 | K74-T77 PolarHBondContact O-N 2.85Å; K74-T77 PolarHBondContact O-OG1 3.16Å; T77-L163 WeakPolarHBondContact O-CA 3.19Å; T77-L164 PolarHBondContact O-N 3.04Å |
| 78 | H | 90.5 | Very high | 89 | Confident | 60 Ų | 60 | 56.6 Ų | 56.6 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -112.2 | 137.9 | -179.1 | -65.9 | 50.8 | 0 | 0 | 0 | 110.6 | K74 | K74-H78 HydrophobicContact CB-CB 4.04Å; K74-H78 PolarHBondContact O-N 3.03Å |
| 79 | P | 91.7 | Very high | 89.3 | Confident | 41 Ų | 41 | 57.7 Ų | 57.7 | 27% | 0.266 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -69 | 158.9 | 178.6 | 31.2 | -37 | 0 | 0 | 0 | 112.8 | G124 T126 L164 | P79-G124 WeakPolarHBondContact CB-O 3.35Å; P79-T126 WeakPolarHBondContact CB-OG1 3.42Å; P79-T126 WeakPolarHBondContact CG-OG1 3.45Å; P79-L164 HydrophobicContact CB-CD1 4.32Å; P79-L164 HydrophobicContact CB-CD2 4.43Å |
| 80 | V | 90.6 | Very high | 89.7 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 125.2 | 154.9 | 174.1 | 0 | 0 | 0 | 0 | 106.7 | I70 L75 I82 V121 V125 T126 | I70-V80 HydrophobicContact CG1-CG1 3.92Å; I70-V80 HydrophobicContact CG1-CG2 4.37Å; I70-V80 HydrophobicContact CG2-CG2 4.21Å; L75-V80 HydrophobicContact CD2-CG2 3.81Å; V80-I82 HydrophobicContact CG1-CG1 4.2Å; V80-V121 HydrophobicContact CG2-CG1 4.34Å; V80-V125 HydrophobicContact CB-CG2 4.39Å; V80-T126 PolarHBondContact O-N 3.36Å |
| 81 | L | 91.7 | Very high | 90.2 | Very high | 42 Ų | 42 | 55.2 Ų | 55.2 | 22% | 0.22 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.5 | 176.6 | 175.3 | 61.6 | 0 | 0 | 0 | 109.2 | A68 K69 T126 Q128 | A68-L81 CarbonylContact C-O 3.57Å; A68-L81 WeakPolarHBondContact CA-O 3.35Å; K69-L81 HydrophobicContact CB-CB 4.44Å; K69-L81 HydrophobicContact CD-CD2 4.44Å; K69-L81 PolarHBondContact N-O 3.06Å; K69-L81 PolarHBondContact O-N 3.08Å; K69-L81 VanDerWaalsContact O-N 3.12Å; L81-T126 HydrophobicContact CD1-CG2 3.7Å; L81-Q128 HydrophobicContact CD1-CG 4.02Å |
| 82 | I | 92.4 | Very high | 90.7 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 13% | 0.128 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 110.4 | 172.6 | -54.2 | -179.2 | 0 | 0 | 0 | 107.4 | V66 A68 V80 I84 V125 T126 I127 Q128 | V66-I82 HydrophobicContact CG1-CG2 3.92Å; A68-I82 HydrophobicContact CB-CG1 4.33Å; V80-I82 HydrophobicContact CG1-CG1 4.2Å; I82-I84 HydrophobicContact CG2-CD1 4.11Å; I82-I84 HydrophobicContact CG2-CG1 3.99Å; I82-V125 HydrophobicContact CD1-CG1 3.76Å; I82-V125 HydrophobicContact CG1-CG1 3.99Å; I82-T126 PolarHBondContact N-O 2.65Å; I82-I127 CarbonylContact O-C 3.57Å; I82-I127 WeakPolarHBondContact O-CA 3.33Å; I82-Q128 PolarHBondContact O-N 3.13Å |
| 83 | S | 94 | Very high | 91.5 | Very high | 30 Ų | 30 | 48.9 Ų | 48.9 | 21% | 0.21 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 136.3 | 171.3 | 48.8 | 0 | 0 | 0 | 0 | 110.2 | V67 Q128 | V67-S83 PolarHBondContact N-O 3.36Å; V67-S83 PolarHBondContact O-N 2.88Å; V67-S83 PolarHBondContact O-OG 3.24Å; S83-Q128 CarbonylContact C-O 3.57Å; S83-Q128 VanDerWaalsContact CA-O 3.29Å; S83-Q128 WeakPolarHBondContact CA-O 3.06Å |
| 84 | I | 95.2 | Very high | 92 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 7% | 0.072 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.8 | -176 | -54.3 | 179.5 | 0 | 0 | 0 | 107.5 | C63 T64 V66 I82 I87 I127 Q128 V129 N130 | C63-I84 HydrophobicContact CB-CG2 3.94Å; T64-I84 WeakPolarHBondContact O-CG2 3.38Å; V66-I84 HydrophobicContact CG1-CG1 4.24Å; V66-I84 HydrophobicContact CG2-CD1 4.4Å; V66-I84 HydrophobicContact CG2-CG1 4.1Å; V66-I84 HydrophobicContact CG2-CG2 4.19Å; I82-I84 HydrophobicContact CG2-CD1 4.11Å; I82-I84 HydrophobicContact CG2-CG1 3.99Å; I84-I87 HydrophobicContact CD1-CD1 3.99Å; I84-I87 HydrophobicContact CD1-CG1 4.41Å; I84-I87 HydrophobicContact CG2-CD1 4.4Å; I84-I87 HydrophobicContact CG2-CG1 3.76Å; I84-I127 HydrophobicContact CD1-CG2 4.39Å; I84-Q128 PolarHBondContact N-O 3.23Å; I84-V129 HydrophobicContact CB-CG1 4.24Å; I84-V129 HydrophobicContact CB-CG2 4.32Å; I84-V129 HydrophobicContact CG2-CG1 4.36Å; I84-V129 CarbonylContact O-C 3.55Å; I84-V129 VanDerWaalsContact O-CA 3.26Å; I84-V129 WeakPolarHBondContact O-CA 3.26Å; I84-N130 PolarHBondContact O-N 3.29Å |
| 85 | D | 94.8 | Very high | 92 | Very high | 52 Ų | 52 | 45.3 Ų | 45.3 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -62.1 | 176.1 | -79.1 | -27.6 | 0 | 0 | 0 | 111.2 | T64 N65 N130 S131 | T64-D85 PolarHBondContact O-N 3.44Å; N65-D85 HydrophobicContact CB-CB 4.08Å; N65-D85 WeakPolarHBondContact CB-OD2 3.46Å; N65-D85 PolarHBondContact ND2-OD2 3.13Å; D85-N130 CarbonylContact O-C 3.59Å; D85-N130 WeakPolarHBondContact O-CA 3.5Å; D85-N130 VanDerWaalsContact O-CB 3.31Å; D85-N130 WeakPolarHBondContact O-CB 3.38Å; D85-N130 PolarHBondContact O-N 3.47Å; D85-N130 PolarHBondContact OD1-ND2 2.85Å; D85-S131 PolarHBondContact O-N 3.03Å |
| 86 | H | 95.2 | Very high | 92.2 | Very high | 91 Ų | 91 | 52.1 Ų | 52.1 | 42% | 0.421 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138.3 | -179.2 | -53.1 | -42 | 0 | 0 | 0 | 111.4 | C63 T64 S131 | C63-H86 CarbonylContact C-O 3.6Å; C63-H86 VanDerWaalsContact CA-O 3.28Å; C63-H86 WeakPolarHBondContact CA-O 3.37Å; T64-H86 PolarHBondContact N-O 3.37Å; T64-H86 WeakPolarHBondContact OG1-CB 3.39Å; T64-H86 PolarHBondContact OG1-N 3.09Å; H86-S131 WeakPolarHBondContact CA-O 3.25Å |
| 87 | I | 95.4 | Very high | 92.4 | Very high | 22 Ų | 22 | 46 Ų | 46 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 121.1 | 166.1 | -58.4 | 179.6 | 0 | 0 | 0 | 107.7 | H62 I84 I89 V129 S131 V132 F133 | H62-I87 WeakPolarHBondContact O-CA 3.5Å; I84-I87 HydrophobicContact CD1-CD1 3.99Å; I84-I87 HydrophobicContact CD1-CG1 4.41Å; I84-I87 HydrophobicContact CG2-CD1 4.4Å; I84-I87 HydrophobicContact CG2-CG1 3.76Å; I87-I89 HydrophobicContact CG2-CD1 4.04Å; I87-I89 HydrophobicContact CG2-CG1 3.8Å; I87-V129 HydrophobicContact CB-CG1 4.38Å; I87-V129 HydrophobicContact CD1-CB 4.38Å; I87-V129 HydrophobicContact CD1-CG1 3.84Å; I87-V129 HydrophobicContact CD1-CG2 3.61Å; I87-V129 HydrophobicContact CG1-CG1 3.68Å; I87-V129 HydrophobicContact CG1-CG2 4.37Å; I87-S131 PolarHBondContact N-O 2.99Å; I87-V132 HydrophobicContact CB-CG1 4.39Å; I87-V132 HydrophobicContact CB-CG2 4.36Å; I87-V132 CarbonylContact O-C 3.57Å; I87-V132 WeakPolarHBondContact O-CA 3.41Å; I87-F133 PolarHBondContact O-N 3.09Å |
| 88 | N | 96.3 | Very high | 92.6 | Very high | 49 Ų | 49 | 46.2 Ų | 46.2 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 132.9 | 175.6 | -64.8 | -11.6 | 0 | 0 | 0 | 109.4 | A61 H62 F133 | A61-N88 VanDerWaalsContact CA-O 3.29Å; A61-N88 WeakPolarHBondContact CA-O 3.32Å; H62-N88 PolarHBondContact N-O 3.36Å; H62-N88 PolarHBondContact O-N 3.11Å; N88-F133 CarbonylContact C-O 3.49Å; N88-F133 VanDerWaalsContact CA-O 3.3Å; N88-F133 WeakPolarHBondContact CA-O 3.34Å |
| 89 | I | 95.6 | Very high | 92.1 | Very high | 34 Ų | 34 | 48.9 Ų | 48.9 | 17% | 0.174 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 128.7 | -171.8 | -53.2 | -173.7 | 0 | 0 | 0 | 109.2 | L58 A61 I87 L91 V132 F133 I134 E135 | L58-I89 HydrophobicContact CD1-CG2 3.41Å; L58-I89 VanDerWaalsContact CD1-CG2 3.41Å; A61-I89 HydrophobicContact CB-CG1 4.4Å; I87-I89 HydrophobicContact CG2-CD1 4.04Å; I87-I89 HydrophobicContact CG2-CG1 3.8Å; I89-L91 HydrophobicContact CG2-CD2 3.97Å; I89-L91 HydrophobicContact CG2-CG 3.96Å; I89-V132 HydrophobicContact CD1-CG1 4.24Å; I89-F133 PolarHBondContact N-O 2.85Å; I89-I134 HydrophobicContact CB-CB 4.42Å; I89-I134 HydrophobicContact CB-CG1 4.22Å; I89-I134 HydrophobicContact CB-CG2 4.15Å; I89-I134 HydrophobicContact CD1-CD1 4.49Å; I89-I134 HydrophobicContact CD1-CG1 4.27Å; I89-I134 HydrophobicContact CG1-CG1 4.49Å; I89-I134 HydrophobicContact CG2-CG2 4.23Å; I89-I134 CarbonylContact O-C 3.54Å; I89-I134 WeakPolarHBondContact O-CA 3.49Å; I89-E135 PolarHBondContact O-N 3.34Å |
| 90 | E | 96.5 | Very high | 91 | Very high | 24 Ų | 24 | 48.9 Ų | 48.9 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 110.7 | 169.2 | -71 | 177 | -139.8 | 0 | 0 | 109.3 | R59 K60 F137 | R59-E90 HydrophobicContact CB-CB 3.93Å; R59-E90 IonicContact CZ-OE2 3.86Å; R59-E90 PolarHBondContact N-O 3.32Å; R59-E90 IonicContact NE-OE2 2.64Å; R59-E90 IonicContact NH1-OE2 3.27Å; R59-E90 PolarHBondContact NH1-OE2 3.27Å; R59-E90 IonicContact NH2-OE2 3.06Å; K60-E90 HydrophobicContact CB-CB 4.35Å; K60-E90 HydrophobicContact CB-CG 4.46Å; K60-E90 WeakPolarHBondContact CD-OE1 3.35Å; K60-E90 WeakPolarHBondContact CE-OE1 3.47Å; K60-E90 IonicContact NZ-OE1 3.13Å; K60-E90 PolarHBondContact NZ-OE1 3.32Å; K60-E90 IonicContact NZ-OE2 3.44Å; K60-E90 PolarHBondContact NZ-OE2 3.11Å; K60-E90 PolarHBondContact O-N 2.78Å; E90-F137 HydrophobicContact CB-CE2 4.34Å; E90-F137 HydrophobicContact CG-CE2 4.27Å |
| 91 | L | 95.7 | Very high | 89.6 | Confident | 21 Ų | 21 | 52 Ų | 52 | 11% | 0.11 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 148.3 | 173.3 | -66.2 | -176.3 | 0 | 0 | 0 | 111.5 | L57 L58 I89 I134 E135 F136 F137 | L57-L91 CarbonylContact O-C 3.55Å; L57-L91 WeakPolarHBondContact O-CA 3.48Å; L58-L91 HydrophobicContact CB-CD2 4.2Å; L58-L91 HydrophobicContact CD1-CD2 3.85Å; I89-L91 HydrophobicContact CG2-CD2 3.97Å; I89-L91 HydrophobicContact CG2-CG 3.96Å; L91-I134 HydrophobicContact CB-CG2 4.42Å; L91-I134 HydrophobicContact CD1-CG2 3.67Å; L91-I134 HydrophobicContact CG-CG2 3.83Å; L91-E135 PolarHBondContact N-O 3.04Å; L91-F136 HydrophobicContact CB-CD2 4.03Å; L91-F136 WeakPolarHBondContact O-CA 3.32Å; L91-F137 WeakPolarHBondContact O-CD2 3.48Å; L91-F137 PolarHBondContact O-N 2.83Å |
| 92 | Q | 94.6 | Very high | 87.7 | Confident | 72 Ų | 72 | 58.9 Ų | 58.9 | 34% | 0.336 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 133.2 | 175.2 | 176.1 | 176.3 | 12.1 | 0 | 0 | 111.6 | L56 L57 R59 F137 | L56-Q92 CarbonylContact C-O 3.56Å; L57-Q92 HydrophobicContact CB-CB 4.46Å; L57-Q92 PolarHBondContact N-O 3.08Å; L57-Q92 PolarHBondContact O-N 3.36Å; R59-Q92 HydrophobicContact CG-CB 4.08Å; Q92-F137 CarbonylContact C-O 3.54Å; Q92-F137 WeakPolarHBondContact CA-O 3.38Å; Q92-F137 HydrophobicContact CB-CB 4.3Å; Q92-F137 HydrophobicContact CG-CB 4.34Å |
| 93 | A | 93 | Very high | 85.6 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 12% | 0.116 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 130.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110.2 | W55 F136 F137 A138 L271 | W55-A93 HydrophobicContact CE3-CB 4.14Å; W55-A93 HydrophobicContact CZ3-CB 4.04Å; A93-F136 HydrophobicContact CB-CZ 4.15Å; A93-F137 PolarHBondContact N-O 3.25Å; A93-A138 HydrophobicContact CB-CB 4.12Å; A93-L271 HydrophobicContact CB-CD2 3.78Å |
| 94 | L | 91.9 | Very high | 83.4 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 18% | 0.183 | 34% | 0.343 | C | S | . | . | trans | -100.3 | 141 | 178.3 | -60 | 177.5 | 0 | 0 | 0 | 110.9 | W55 L57 E96 R98 S274 | W55-L94 PolarHBondContact O-N 3.07Å; L57-L94 HydrophobicContact CB-CD1 4.05Å; L57-L94 HydrophobicContact CB-CD2 3.88Å; L57-L94 HydrophobicContact CB-CG 3.97Å; L57-L94 HydrophobicContact CD2-CD2 4.14Å; L94-E96 VanDerWaalsContact CB-O 3.27Å; L94-E96 WeakPolarHBondContact CB-O 3.41Å; L94-R98 HydrophobicContact CD1-CG 4.01Å; L94-S274 WeakPolarHBondContact O-CB 3.48Å; L94-S274 PolarHBondContact O-OG 3.13Å | ||
| 95 | D | 85.6 | Confident | 81.1 | Confident | 99 Ų | 99 | 63.8 Ų | 63.8 | 53% | 0.529 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -67.9 | -45.3 | 171.3 | -63.5 | -46.5 | 0 | 0 | 0 | 111.2 | ||
| 96 | E | 87 | Confident | 79 | Confident | 161 Ų | 161 | 62.5 Ų | 62.5 | 75% | 0.752 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -100 | 129.9 | 173.1 | -66.2 | -172.9 | 174.4 | 0 | 0 | 110.9 | L94 | L94-E96 VanDerWaalsContact CB-O 3.27Å; L94-E96 WeakPolarHBondContact CB-O 3.41Å |
| 97 | P | 87.5 | Confident | 76.7 | Confident | 32 Ų | 32 | 63 Ų | 63 | 21% | 0.208 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 144.8 | 179.1 | 29.5 | -35.5 | 0 | 0 | 0 | 111.6 | L277 A278 | P97-L277 HydrophobicContact CG-CB 3.87Å; P97-A278 HydrophobicContact CB-CB 4.16Å |
| 98 | R | 88.5 | Confident | 74.8 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 18% | 0.181 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -51.5 | 150.9 | 170.8 | -80 | -167.5 | -59.2 | -72.4 | 4.9 | 111.7 | L52 P53 T54 L56 L94 A100 Q281 | L52-R98 PolarHBondContact O-NH2 3.27Å; P53-R98 PolarHBondContact O-NH2 3.01Å; T54-R98 PolarHBondContact O-N 3.03Å; T54-R98 PolarHBondContact O-NH1 2.68Å; L56-R98 VanDerWaalsContact O-CZ 3.28Å; L56-R98 PolarHBondContact O-NH1 2.92Å; L56-R98 PolarHBondContact O-NH2 2.73Å; L94-R98 HydrophobicContact CD1-CG 4.01Å; R98-A100 PolarHBondContact O-N 2.65Å; R98-Q281 PolarHBondContact O-NE2 3.34Å; R98-Q281 PolarHBondContact O-OE1 2.81Å |
| 99 | P | 80.3 | Confident | 72.8 | Confident | 116 Ų | 116 | 63 Ų | 63 | 75% | 0.753 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 134.3 | 166.1 | 25.9 | -34.4 | 0 | 0 | 0 | 110 | S101 | P99-S101 PolarHBondContact O-N 2.64Š|
| 100 | A | 68.9 | Low | 70.5 | Confident | 41 Ų | 41 | 65 Ų | 65 | 34% | 0.339 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 131.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | R98 Q102 Q281 | R98-A100 PolarHBondContact O-N 2.65Å; A100-Q102 PolarHBondContact O-N 3.33Å; A100-Q102 VanDerWaalsContact O-N 3.16Å; A100-Q281 HydrophobicContact CB-CG 4.28Å; A100-Q281 VanDerWaalsContact N-NE2 3.14Å |
| 101 | S | 62.4 | Low | 68.2 | Low | 71 Ų | 71 | 66.4 Ų | 66.4 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 119.4 | -177.5 | -162.8 | 0 | 0 | 0 | 0 | 110.3 | P99 S103 | P99-S101 PolarHBondContact O-N 2.64Å; S101-S103 PolarHBondContact OG-OG 2.91Å |
| 102 | Q | 50.7 | Low | 66 | Low | 185 Ų | 185 | 69.6 Ų | 69.6 | 86% | 0.864 | 42% | 0.422 | S | S | * | . | trans | -84.2 | -15.1 | 175.5 | -66.2 | -172 | 13.7 | 0 | 0 | 112.6 | A100 P104 | A100-Q102 PolarHBondContact O-N 3.33Å; A100-Q102 VanDerWaalsContact O-N 3.16Å; Q102-P104 WeakPolarHBondContact O-CD 3.21Å | ||
| 103 | S | 49.4 | Very low | 64.2 | Low | 52 Ų | 52 | 67.7 Ų | 67.7 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | trans | -68 | 115.4 | 175.9 | 34.4 | 0 | 0 | 0 | 0 | 109.7 | E48 S101 T105 | E48-S103 WeakPolarHBondContact OE1-CB 3.29Å; E48-S103 PolarHBondContact OE1-OG 3.47Å; S101-S103 PolarHBondContact OG-OG 2.91Å; S103-T105 PolarHBondContact O-N 3.08Å | ||
| 104 | P | 46.9 | Very low | 62.7 | Low | 83 Ų | 83 | 73.2 Ų | 73.2 | 54% | 0.539 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -76.5 | 12.2 | 178.3 | -9.8 | 27.7 | 0 | 0 | 0 | 112.7 | Q102 V236 | Q102-P104 WeakPolarHBondContact O-CD 3.21Å; P104-V236 HydrophobicContact CB-CG1 3.81Å; P104-V236 HydrophobicContact CG-CG1 4.04Å |
| 105 | T | 47.5 | Very low | 61.6 | Low | 38 Ų | 38 | 72.6 Ų | 72.6 | 23% | 0.233 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -141.4 | 124.4 | -165 | -24.5 | 0 | 0 | 0 | 0 | 109 | S103 N107 R109 V236 | S103-T105 PolarHBondContact O-N 3.08Å; T105-N107 PolarHBondContact O-N 2.86Å; T105-R109 HydrophobicContact CG2-CB 3.78Å; T105-R109 HydrophobicContact CG2-CG 4.36Å; T105-V236 WeakPolarHBondContact OG1-CG1 3.08Å |
| 106 | A | 49.8 | Very low | 61 | Low | 25 Ų | 25 | 69.1 Ų | 69.1 | 21% | 0.207 | 43% | 0.426 | C | S | . | . | trans | -58.6 | 127 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | E48 Y108 R109 | E48-A106 WeakPolarHBondContact OE2-CA 3.42Å; A106-Y108 HydrophobicContact CB-CD1 3.51Å; A106-Y108 HydrophobicContact CB-CE1 3.45Å; A106-Y108 VanDerWaalsContact CB-CE1 3.45Å; A106-Y108 PolarHBondContact O-N 2.84Å; A106-R109 PolarHBondContact O-N 3.46Å; A106-R109 VanDerWaalsContact O-N 3.11Å | ||
| 107 | N | 47.3 | Very low | 60.6 | Low | 100 Ų | 100 | 66.5 Ų | 66.5 | 54% | 0.535 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -7.5 | -170.2 | -89.9 | -66.4 | 0 | 0 | 0 | 115 | K15 E48 T105 R109 | K15-N107 WeakPolarHBondContact CD-O 3.45Å; K15-N107 PolarHBondContact NZ-O 2.89Å; E48-N107 PolarHBondContact OE1-ND2 3.46Å; E48-N107 VanDerWaalsContact OE2-CB 3.32Å; E48-N107 WeakPolarHBondContact OE2-CB 2.96Å; E48-N107 PolarHBondContact OE2-N 2.84Å; E48-N107 PolarHBondContact OE2-ND2 3.34Å; T105-N107 PolarHBondContact O-N 2.86Å; N107-R109 PolarHBondContact O-N 2.94Å |
| 108 | Y | 55.8 | Low | 60 | Low | 26 Ų | 26 | 67.5 Ų | 67.5 | 10% | 0.102 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -29.5 | 171 | 73.6 | -97.5 | 0 | 0 | 0 | 112.9 | K15 F16 L49 A106 G110 I122 | K15-Y108 WeakPolarHBondContact CD-O 3.13Å; K15-Y108 PolarHBondContact NZ-O 3.1Å; F16-Y108 HydrophobicContact CE1-CD1 4.37Å; F16-Y108 HydrophobicContact CE2-CD1 4.47Å; F16-Y108 HydrophobicContact CE2-CG 4.42Å; F16-Y108 AromaticContact CZ-CD1 3.59Å; F16-Y108 HydrophobicContact CZ-CD1 3.59Å; F16-Y108 AromaticContact CZ-CG 3.89Å; F16-Y108 HydrophobicContact CZ-CG 3.89Å; L49-Y108 HydrophobicContact CD1-CD1 4.43Å; L49-Y108 HydrophobicContact CD1-CE1 4.15Å; A106-Y108 HydrophobicContact CB-CD1 3.51Å; A106-Y108 HydrophobicContact CB-CE1 3.45Å; A106-Y108 VanDerWaalsContact CB-CE1 3.45Å; A106-Y108 PolarHBondContact O-N 2.84Å; Y108-G110 PolarHBondContact O-N 3.26Å; Y108-I122 HydrophobicContact CD2-CD1 4Å; Y108-I122 HydrophobicContact CE2-CD1 3.86Å |
| 109 | R | 54.7 | Low | 59.4 | Low | 46 Ų | 46 | 65.5 Ų | 65.5 | 17% | 0.174 | 41% | 0.413 | C | S | . | . | trans | -70.1 | 122.3 | 172.7 | -94.2 | 171.5 | 161.6 | -117.1 | -21.3 | 111.4 | K15 T105 A106 N107 G113 K114 D119 D237 | K15-R109 PolarHBondContact NZ-O 3.04Å; T105-R109 HydrophobicContact CG2-CB 3.78Å; T105-R109 HydrophobicContact CG2-CG 4.36Å; A106-R109 PolarHBondContact O-N 3.46Å; A106-R109 VanDerWaalsContact O-N 3.11Å; N107-R109 PolarHBondContact O-N 2.94Å; R109-G113 VanDerWaalsContact CZ-O 3.23Å; R109-G113 PolarHBondContact NH1-O 2.99Å; R109-G113 PolarHBondContact NH2-O 2.93Å; R109-K114 PolarHBondContact NH2-O 3.17Å; R109-D119 IonicContact CZ-OD1 3.56Å; R109-D119 IonicContact CZ-OD2 3.84Å; R109-D119 IonicContact NE-OD1 3.83Å; R109-D119 PolarHBondContact NE-OD1 3.35Å; R109-D119 IonicContact NE-OD2 3.53Å; R109-D119 IonicContact NH2-OD1 2.72Å; R109-D119 PolarHBondContact NH2-OD1 3.11Å; R109-D119 IonicContact NH2-OD2 2.66Å; R109-D119 PolarHBondContact NH2-OD2 2.9Å; R109-D237 PolarHBondContact NH1-O 3.11Å | ||
| 110 | G | 47.3 | Very low | 59.4 | Low | 77 Ų | 77 | 64.4 Ų | 64.4 | 79% | 0.794 | 40% | 0.396 | S | S | * | . | trans | -114.5 | 26.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y108 | Y108-G110 PolarHBondContact O-N 3.26Š| ||
| 111 | G | 47 | Very low | 60.1 | Low | 52 Ų | 52 | 62.7 Ų | 62.7 | 54% | 0.536 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -165.9 | 143.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G113 | G111-G113 VanDerWaalsContact C-N 3.33Å; G111-G113 PolarHBondContact O-N 2.82Å; G111-G113 VanDerWaalsContact O-N 3.11Å |
| 112 | S | 49.9 | Very low | 61 | Low | 89 Ų | 89 | 60.3 Ų | 60.3 | 62% | 0.622 | 36% | 0.363 | S | S | * | . | trans | -85.5 | 56.7 | -170.8 | 61.5 | 0 | 0 | 0 | 0 | 112.8 | H235 | S112-H235 VanDerWaalsContact O-CB 3.31Å; S112-H235 WeakPolarHBondContact O-CB 3.44Å | ||
| 113 | G | 55.9 | Low | 62.5 | Low | 32 Ų | 32 | 52.3 Ų | 52.3 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | trans | -121.5 | 156.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | R109 G111 | R109-G113 VanDerWaalsContact CZ-O 3.23Å; R109-G113 PolarHBondContact NH1-O 2.99Å; R109-G113 PolarHBondContact NH2-O 2.93Å; G111-G113 VanDerWaalsContact C-N 3.33Å; G111-G113 PolarHBondContact O-N 2.82Å; G111-G113 VanDerWaalsContact O-N 3.11Å | ||
| 114 | K | 61.7 | Low | 64.4 | Low | 130 Ų | 130 | 50 Ų | 50 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | trans | -54.9 | 157 | 175.5 | -60 | -163.7 | 173.6 | -154.8 | 0 | 112.8 | R109 G116 S222 D237 | R109-K114 PolarHBondContact NH2-O 3.17Å; K114-G116 PolarHBondContact O-N 3.33Å; K114-G116 VanDerWaalsContact O-N 3.08Å; K114-S222 PolarHBondContact NZ-OG 3.46Å; K114-D237 WeakPolarHBondContact CA-OD2 3.29Å; K114-D237 PolarHBondContact N-OD2 3.13Å | ||
| 115 | Y | 69 | Low | 66.5 | Low | 22 Ų | 22 | 46.5 Ų | 46.5 | 9% | 0.086 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -56.4 | 113.8 | 173.5 | -178.8 | -96 | 0 | 0 | 0 | 110.7 | D119 K120 D123 I177 I221 | Y115-D119 HydrophobicContact CD2-CB 3.5Å; Y115-D119 HydrophobicContact CE2-CB 3.39Å; Y115-D119 HydrophobicContact CG-CB 4.25Å; Y115-K120 HydrophobicContact CD1-CG 4.49Å; Y115-K120 HydrophobicContact CE1-CD 4.41Å; Y115-K120 HydrophobicContact CE1-CG 3.57Å; Y115-D123 PolarHBondContact OH-OD2 2.86Å; Y115-I177 HydrophobicContact CD1-CD1 4.31Å; Y115-I177 HydrophobicContact CE1-CD1 3.46Å; Y115-I177 VanDerWaalsContact CE1-CD1 3.46Å; Y115-I221 PolarHBondContact N-O 2.93Å |
| 116 | G | 73.9 | Confident | 68.7 | Low | 25 Ų | 25 | 45.6 Ų | 45.6 | 26% | 0.258 | 28% | 0.282 | S | S | . | . | trans | -124.7 | -170.9 | -163.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K114 S118 D119 K120 | K114-G116 PolarHBondContact O-N 3.33Å; K114-G116 VanDerWaalsContact O-N 3.08Å; G116-S118 VanDerWaalsContact C-N 3.32Å; G116-S118 PolarHBondContact O-N 2.81Å; G116-D119 PolarHBondContact N-OD2 2.97Å; G116-D119 PolarHBondContact O-N 2.83Å; G116-D119 VanDerWaalsContact O-N 3.16Å; G116-K120 PolarHBondContact O-N 3.35Å | ||
| 117 | F | 78.1 | Confident | 70.8 | Confident | 106 Ų | 106 | 47.1 Ų | 47.1 | 47% | 0.465 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.5 | -38.3 | -178.9 | 175.3 | -109.9 | 0 | 0 | 0 | 113.1 | L75 K76 K120 V121 | L75-F117 HydrophobicContact CB-CZ 3.91Å; K76-F117 HydrophobicContact CG-CE2 3.74Å; K76-F117 HydrophobicContact CG-CZ 4.46Å; F117-K120 PolarHBondContact O-N 3.48Å; F117-V121 HydrophobicContact CD1-CG2 4.46Å; F117-V121 HydrophobicContact CD2-CG2 4.3Å; F117-V121 HydrophobicContact CE1-CG2 3.98Å; F117-V121 HydrophobicContact CE2-CG2 3.78Å; F117-V121 HydrophobicContact CZ-CG2 3.61Å; F117-V121 WeakPolarHBondContact O-CG2 3.42Å; F117-V121 PolarHBondContact O-N 2.86Å |
| 118 | S | 75.6 | Confident | 73.1 | Confident | 53 Ų | 53 | 46.5 Ų | 46.5 | 37% | 0.371 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.4 | 44 | 0 | 0 | 0 | 0 | 112.4 | G116 V121 I122 | G116-S118 VanDerWaalsContact C-N 3.32Å; G116-S118 PolarHBondContact O-N 2.81Å; S118-V121 PolarHBondContact O-N 2.89Å; S118-I122 WeakPolarHBondContact O-CD1 3.38Å; S118-I122 VanDerWaalsContact O-CG1 3.32Å; S118-I122 WeakPolarHBondContact O-CG1 3.44Å; S118-I122 PolarHBondContact O-N 2.88Å |
| 119 | D | 76.2 | Confident | 75.1 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 3% | 0.032 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 177.3 | -52.4 | -75.6 | 0 | 0 | 0 | 110.2 | R109 Y115 G116 V121 I122 D123 | R109-D119 IonicContact CZ-OD1 3.56Å; R109-D119 IonicContact CZ-OD2 3.84Å; R109-D119 IonicContact NE-OD1 3.83Å; R109-D119 PolarHBondContact NE-OD1 3.35Å; R109-D119 IonicContact NE-OD2 3.53Å; R109-D119 IonicContact NH2-OD1 2.72Å; R109-D119 PolarHBondContact NH2-OD1 3.11Å; R109-D119 IonicContact NH2-OD2 2.66Å; R109-D119 PolarHBondContact NH2-OD2 2.9Å; Y115-D119 HydrophobicContact CD2-CB 3.5Å; Y115-D119 HydrophobicContact CE2-CB 3.39Å; Y115-D119 HydrophobicContact CG-CB 4.25Å; G116-D119 PolarHBondContact N-OD2 2.97Å; G116-D119 PolarHBondContact O-N 2.83Å; G116-D119 VanDerWaalsContact O-N 3.16Å; D119-V121 VanDerWaalsContact C-N 3.28Å; D119-V121 PolarHBondContact O-N 3.37Å; D119-I122 PolarHBondContact O-N 3.2Å; D119-I122 VanDerWaalsContact O-N 3.13Å; D119-D123 WeakPolarHBondContact O-CB 3.4Å; D119-D123 PolarHBondContact O-N 3.49Å |
| 120 | K | 79.9 | Confident | 77.1 | Confident | 93 Ų | 93 | 46.2 Ų | 46.2 | 40% | 0.404 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.7 | -36.1 | 173.1 | -69.5 | -169.7 | 177.9 | -163.3 | 0 | 113.6 | Y115 G116 F117 G124 | Y115-K120 HydrophobicContact CD1-CG 4.49Å; Y115-K120 HydrophobicContact CE1-CD 4.41Å; Y115-K120 HydrophobicContact CE1-CG 3.57Å; G116-K120 PolarHBondContact O-N 3.35Å; F117-K120 PolarHBondContact O-N 3.48Å; K120-G124 PolarHBondContact O-N 2.71Å |
| 121 | V | 83.3 | Confident | 79.4 | Confident | 6 Ų | 6 | 43.6 Ų | 43.6 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.5 | -37.5 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 111.7 | I9 L75 V80 F117 S118 D119 V125 | I9-V121 HydrophobicContact CG2-CG1 4.28Å; L75-V121 HydrophobicContact CB-CG2 4.31Å; L75-V121 HydrophobicContact CD2-CG1 4.36Å; V80-V121 HydrophobicContact CG2-CG1 4.34Å; F117-V121 HydrophobicContact CD1-CG2 4.46Å; F117-V121 HydrophobicContact CD2-CG2 4.3Å; F117-V121 HydrophobicContact CE1-CG2 3.98Å; F117-V121 HydrophobicContact CE2-CG2 3.78Å; F117-V121 HydrophobicContact CZ-CG2 3.61Å; F117-V121 WeakPolarHBondContact O-CG2 3.42Å; F117-V121 PolarHBondContact O-N 2.86Å; S118-V121 PolarHBondContact O-N 2.89Å; D119-V121 VanDerWaalsContact C-N 3.28Å; D119-V121 PolarHBondContact O-N 3.37Å; V121-V125 WeakPolarHBondContact O-CG2 3.29Å; V121-V125 PolarHBondContact O-N 2.91Å |
| 122 | I | 81 | Confident | 81.8 | Confident | 20 Ų | 20 | 41.5 Ų | 41.5 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -73.1 | -46.8 | 177.6 | -64.8 | 162.1 | 0 | 0 | 0 | 110.9 | P12 F13 Y108 S118 D119 G124 V125 | P12-I122 HydrophobicContact CB-CD1 3.53Å; P12-I122 HydrophobicContact CB-CG1 4.4Å; P12-I122 HydrophobicContact CG-CD1 3.93Å; F13-I122 HydrophobicContact CE1-CG2 4.32Å; F13-I122 HydrophobicContact CE2-CG1 4.39Å; F13-I122 HydrophobicContact CZ-CB 4.43Å; F13-I122 HydrophobicContact CZ-CG1 3.96Å; F13-I122 HydrophobicContact CZ-CG2 4.43Å; Y108-I122 HydrophobicContact CD2-CD1 4Å; Y108-I122 HydrophobicContact CE2-CD1 3.86Å; S118-I122 WeakPolarHBondContact O-CD1 3.38Å; S118-I122 VanDerWaalsContact O-CG1 3.32Å; S118-I122 WeakPolarHBondContact O-CG1 3.44Å; S118-I122 PolarHBondContact O-N 2.88Å; D119-I122 PolarHBondContact O-N 3.2Å; D119-I122 VanDerWaalsContact O-N 3.13Å; I122-G124 PolarHBondContact O-N 3.33Å; I122-V125 VanDerWaalsContact O-CG2 3.26Å; I122-V125 WeakPolarHBondContact O-CG2 3.28Å; I122-V125 PolarHBondContact O-N 3.16Å |
| 123 | D | 82.7 | Confident | 84.1 | Confident | 17 Ų | 17 | 40.3 Ų | 40.3 | 9% | 0.091 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.7 | -25.1 | 176.1 | -87.9 | -42.2 | 0 | 0 | 0 | 111.7 | Y115 D119 M179 K181 K219 | Y115-D123 PolarHBondContact OH-OD2 2.86Å; D119-D123 WeakPolarHBondContact O-CB 3.4Å; D119-D123 PolarHBondContact O-N 3.49Å; D123-M179 HydrophobicContact CB-CE 4.24Å; D123-M179 HydrophobicContact CB-SD 3.98Å; D123-K181 WeakPolarHBondContact O-CE 3.36Å; D123-K181 PolarHBondContact O-NZ 3.48Å; D123-K181 IonicContact OD1-NZ 3.62Å; D123-K219 IonicContact OD1-NZ 3.74Å; D123-K219 PolarHBondContact OD1-NZ 3.15Å; D123-K219 IonicContact OD2-NZ 2.81Å; D123-K219 PolarHBondContact OD2-NZ 2.91Å |
| 124 | G | 88 | Confident | 86 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 11.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | P79 K120 I122 | P79-G124 WeakPolarHBondContact CB-O 3.35Å; K120-G124 PolarHBondContact O-N 2.71Å; I122-G124 PolarHBondContact O-N 3.33Å |
| 125 | V | 90.9 | Very high | 87.7 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | trans | -68.3 | 140.8 | 176.3 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | F13 V80 I82 V121 I122 I127 | F13-V125 HydrophobicContact CE1-CG2 3.81Å; F13-V125 HydrophobicContact CZ-CG2 3.47Å; F13-V125 VanDerWaalsContact CZ-CG2 3.47Å; V80-V125 HydrophobicContact CB-CG2 4.39Å; I82-V125 HydrophobicContact CD1-CG1 3.76Å; I82-V125 HydrophobicContact CG1-CG1 3.99Å; V121-V125 WeakPolarHBondContact O-CG2 3.29Å; V121-V125 PolarHBondContact O-N 2.91Å; I122-V125 VanDerWaalsContact O-CG2 3.26Å; I122-V125 WeakPolarHBondContact O-CG2 3.28Å; I122-V125 PolarHBondContact O-N 3.16Å; V125-I127 HydrophobicContact CG1-CG1 3.83Å | ||
| 126 | T | 94 | Very high | 88.9 | Confident | 18 Ų | 18 | 37.6 Ų | 37.6 | 11% | 0.11 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 127.8 | 164.5 | -61.1 | 0 | 0 | 0 | 0 | 109.3 | P79 V80 L81 I82 Q128 V152 L153 | P79-T126 WeakPolarHBondContact CB-OG1 3.42Å; P79-T126 WeakPolarHBondContact CG-OG1 3.45Å; V80-T126 PolarHBondContact O-N 3.36Å; L81-T126 HydrophobicContact CD1-CG2 3.7Å; I82-T126 PolarHBondContact N-O 2.65Å; T126-Q128 HydrophobicContact CG2-CG 4.42Å; T126-V152 CarbonylContact C-O 3.58Å; T126-V152 VanDerWaalsContact CA-O 3.29Å; T126-V152 WeakPolarHBondContact CA-O 3.3Å; T126-L153 HydrophobicContact CG2-CB 4.19Å |
| 127 | I | 94.2 | Very high | 89.9 | Confident | 57 Ų | 57 | 38.6 Ų | 38.6 | 29% | 0.292 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 131.2 | 176 | -52 | 178.7 | 0 | 0 | 0 | 108.1 | I82 I84 V125 V129 C151 V152 | I82-I127 CarbonylContact O-C 3.57Å; I82-I127 WeakPolarHBondContact O-CA 3.33Å; I84-I127 HydrophobicContact CD1-CG2 4.39Å; V125-I127 HydrophobicContact CG1-CG1 3.83Å; I127-V129 HydrophobicContact CG2-CG2 3.93Å; I127-C151 CarbonylContact O-C 3.56Å; I127-C151 WeakPolarHBondContact O-CA 3.27Å; I127-V152 HydrophobicContact CB-CB 4.22Å; I127-V152 HydrophobicContact CB-CG2 4.49Å; I127-V152 PolarHBondContact N-O 2.9Å; I127-V152 PolarHBondContact O-N 2.82Å |
| 128 | Q | 96.7 | Very high | 90.5 | Very high | 87 Ų | 87 | 34.1 Ų | 34.1 | 41% | 0.407 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 133.8 | 173.5 | -71.8 | -177.9 | -29.3 | 0 | 0 | 108.6 | L81 I82 S83 I84 T126 | L81-Q128 HydrophobicContact CD1-CG 4.02Å; I82-Q128 PolarHBondContact O-N 3.13Å; S83-Q128 CarbonylContact C-O 3.57Å; S83-Q128 VanDerWaalsContact CA-O 3.29Å; S83-Q128 WeakPolarHBondContact CA-O 3.06Å; I84-Q128 PolarHBondContact N-O 3.23Å; T126-Q128 HydrophobicContact CG2-CG 4.42Å |
| 129 | V | 97.3 | Very high | 91 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 128.3 | -176.3 | -167.2 | 0 | 0 | 0 | 0 | 109 | I84 I87 I127 S131 V132 R149 F150 | I84-V129 HydrophobicContact CB-CG1 4.24Å; I84-V129 HydrophobicContact CB-CG2 4.32Å; I84-V129 HydrophobicContact CG2-CG1 4.36Å; I84-V129 CarbonylContact O-C 3.55Å; I84-V129 VanDerWaalsContact O-CA 3.26Å; I84-V129 WeakPolarHBondContact O-CA 3.26Å; I87-V129 HydrophobicContact CB-CG1 4.38Å; I87-V129 HydrophobicContact CD1-CB 4.38Å; I87-V129 HydrophobicContact CD1-CG1 3.84Å; I87-V129 HydrophobicContact CD1-CG2 3.61Å; I87-V129 HydrophobicContact CG1-CG1 3.68Å; I87-V129 HydrophobicContact CG1-CG2 4.37Å; I127-V129 HydrophobicContact CG2-CG2 3.93Å; V129-S131 VanDerWaalsContact CG1-O 3.28Å; V129-S131 WeakPolarHBondContact CG1-O 3.36Å; V129-V132 HydrophobicContact CB-CG2 4.08Å; V129-V132 HydrophobicContact CG1-CG2 3.77Å; V129-V132 HydrophobicContact CG2-CG2 4.46Å; V129-R149 CarbonylContact O-C 3.54Å; V129-R149 WeakPolarHBondContact O-CA 3.39Å; V129-F150 HydrophobicContact CB-CB 4.24Å; V129-F150 HydrophobicContact CB-CD1 4.27Å; V129-F150 HydrophobicContact CG2-CD1 3.89Å; V129-F150 PolarHBondContact N-O 3.41Å; V129-F150 PolarHBondContact O-N 3.29Å |
| 130 | N | 96.3 | Very high | 91.4 | Very high | 64 Ų | 64 | 36.7 Ų | 36.7 | 34% | 0.342 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | -40.9 | -179.1 | -73.5 | -43.4 | 0 | 0 | 0 | 112.3 | I84 D85 R149 | I84-N130 PolarHBondContact O-N 3.29Å; D85-N130 CarbonylContact O-C 3.59Å; D85-N130 WeakPolarHBondContact O-CA 3.5Å; D85-N130 VanDerWaalsContact O-CB 3.31Å; D85-N130 WeakPolarHBondContact O-CB 3.38Å; D85-N130 PolarHBondContact O-N 3.47Å; D85-N130 PolarHBondContact OD1-ND2 2.85Å; N130-R149 PolarHBondContact O-N 3.07Å; N130-R149 PolarHBondContact OD1-NH1 3.49Å |
| 131 | S | 96.4 | Very high | 92 | Very high | 21 Ų | 21 | 33.1 Ų | 33.1 | 15% | 0.147 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 140 | 168.4 | -175.7 | 0 | 0 | 0 | 0 | 112.5 | D85 H86 I87 V129 L147 | D85-S131 PolarHBondContact O-N 3.03Å; H86-S131 WeakPolarHBondContact CA-O 3.25Å; I87-S131 PolarHBondContact N-O 2.99Å; V129-S131 VanDerWaalsContact CG1-O 3.28Å; V129-S131 WeakPolarHBondContact CG1-O 3.36Å; S131-L147 CarbonylContact C-O 3.59Å; S131-L147 WeakPolarHBondContact CA-O 3.48Å |
| 132 | V | 97.1 | Very high | 92.4 | Very high | 8 Ų | 8 | 36.3 Ų | 36.3 | 5% | 0.048 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 122.3 | 167.8 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | I87 I89 V129 I134 E146 L147 F150 | I87-V132 HydrophobicContact CB-CG1 4.39Å; I87-V132 HydrophobicContact CB-CG2 4.36Å; I87-V132 CarbonylContact O-C 3.57Å; I87-V132 WeakPolarHBondContact O-CA 3.41Å; I89-V132 HydrophobicContact CD1-CG1 4.24Å; V129-V132 HydrophobicContact CB-CG2 4.08Å; V129-V132 HydrophobicContact CG1-CG2 3.77Å; V129-V132 HydrophobicContact CG2-CG2 4.46Å; V132-I134 HydrophobicContact CG1-CD1 4.41Å; V132-I134 HydrophobicContact CG1-CG1 4.07Å; V132-E146 CarbonylContact O-C 3.49Å; V132-E146 WeakPolarHBondContact O-CA 2.94Å; V132-L147 HydrophobicContact CB-CB 4.23Å; V132-L147 HydrophobicContact CB-CD1 4.5Å; V132-L147 PolarHBondContact N-O 3.32Å; V132-L147 PolarHBondContact O-N 3.02Å; V132-F150 HydrophobicContact CG2-CB 3.79Å; V132-F150 HydrophobicContact CG2-CD1 4.03Å; V132-F150 HydrophobicContact CG2-CD2 4.5Å; V132-F150 HydrophobicContact CG2-CG 3.87Å |
| 133 | F | 97.7 | Very high | 93 | Very high | 65 Ų | 65 | 35.6 Ų | 35.6 | 29% | 0.285 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 129.5 | 175.7 | -174.6 | -110.3 | 0 | 0 | 0 | 110.2 | I87 N88 I89 E135 V145 E146 | I87-F133 PolarHBondContact O-N 3.09Å; N88-F133 CarbonylContact C-O 3.49Å; N88-F133 VanDerWaalsContact CA-O 3.3Å; N88-F133 WeakPolarHBondContact CA-O 3.34Å; I89-F133 PolarHBondContact N-O 2.85Å; F133-E135 HydrophobicContact CD1-CG 4.21Å; F133-E135 HydrophobicContact CE1-CG 3.46Å; F133-E135 VanDerWaalsContact CE1-CG 3.46Å; F133-E135 HydrophobicContact CZ-CG 4.08Å; F133-V145 CarbonylContact C-O 3.56Å; F133-V145 WeakPolarHBondContact CA-O 3.14Å; F133-E146 HydrophobicContact CD2-CB 4.36Å |
| 134 | I | 96.9 | Very high | 93.6 | Very high | 32 Ų | 32 | 36.3 Ų | 36.3 | 16% | 0.164 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 114 | -178.4 | -47.1 | -179.3 | 0 | 0 | 0 | 108.6 | I89 L91 V132 S144 V145 | I89-I134 HydrophobicContact CB-CB 4.42Å; I89-I134 HydrophobicContact CB-CG1 4.22Å; I89-I134 HydrophobicContact CB-CG2 4.15Å; I89-I134 HydrophobicContact CD1-CD1 4.49Å; I89-I134 HydrophobicContact CD1-CG1 4.27Å; I89-I134 HydrophobicContact CG1-CG1 4.49Å; I89-I134 HydrophobicContact CG2-CG2 4.23Å; I89-I134 CarbonylContact O-C 3.54Å; I89-I134 WeakPolarHBondContact O-CA 3.49Å; L91-I134 HydrophobicContact CB-CG2 4.42Å; L91-I134 HydrophobicContact CD1-CG2 3.67Å; L91-I134 HydrophobicContact CG-CG2 3.83Å; V132-I134 HydrophobicContact CG1-CD1 4.41Å; V132-I134 HydrophobicContact CG1-CG1 4.07Å; I134-S144 CarbonylContact O-C 3.52Å; I134-S144 VanDerWaalsContact O-CA 3.28Å; I134-S144 WeakPolarHBondContact O-CA 3.45Å; I134-V145 HydrophobicContact CB-CB 4.17Å; I134-V145 PolarHBondContact N-O 3.06Å; I134-V145 PolarHBondContact O-N 3.39Å |
| 135 | E | 96.7 | Very high | 93.9 | Very high | 65 Ų | 65 | 37.7 Ų | 37.7 | 30% | 0.304 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 135.3 | 165.9 | -63.1 | -169.8 | 161.3 | 0 | 0 | 109.5 | I89 L91 F133 F137 | I89-E135 PolarHBondContact O-N 3.34Å; L91-E135 PolarHBondContact N-O 3.04Å; F133-E135 HydrophobicContact CD1-CG 4.21Å; F133-E135 HydrophobicContact CE1-CG 3.46Å; F133-E135 VanDerWaalsContact CE1-CG 3.46Å; F133-E135 HydrophobicContact CZ-CG 4.08Å; E135-F137 HydrophobicContact CB-CE2 3.95Å; E135-F137 HydrophobicContact CB-CZ 4.17Å; E135-F137 WeakPolarHBondContact OE2-CZ 3.39Å |
| 136 | F | 94.5 | Very high | 94.2 | Very high | 29 Ų | 29 | 40.6 Ų | 40.6 | 13% | 0.127 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 111.4 | -175.6 | -176.1 | -94.3 | 0 | 0 | 0 | 110.8 | W55 L56 L91 A93 A138 F141 Q142 G143 L271 | W55-F136 HydrophobicContact CH2-CZ 4.43Å; W55-F136 HydrophobicContact CZ3-CZ 4.17Å; L56-F136 HydrophobicContact CD2-CE2 3.53Å; L56-F136 HydrophobicContact CD2-CZ 4.04Å; L91-F136 HydrophobicContact CB-CD2 4.03Å; L91-F136 WeakPolarHBondContact O-CA 3.32Å; A93-F136 HydrophobicContact CB-CZ 4.15Å; F136-A138 HydrophobicContact CD1-CB 4.26Å; F136-A138 HydrophobicContact CE1-CB 3.69Å; F136-F141 HydrophobicContact CD1-CD2 4.41Å; F136-F141 AromaticContact CD1-CE2 3.55Å; F136-F141 HydrophobicContact CD1-CE2 3.55Å; F136-F141 AromaticContact CD1-CZ 3.89Å; F136-F141 HydrophobicContact CD1-CZ 3.89Å; F136-F141 HydrophobicContact CE1-CE1 4.39Å; F136-F141 AromaticContact CE1-CE2 3.69Å; F136-F141 HydrophobicContact CE1-CE2 3.69Å; F136-F141 AromaticContact CE1-CZ 3.49Å; F136-F141 HydrophobicContact CE1-CZ 3.49Å; F136-F141 VanDerWaalsContact CE1-CZ 3.49Å; F136-Q142 CarbonylContact O-C 3.6Å; F136-Q142 WeakPolarHBondContact O-CA 3.26Å; F136-G143 PolarHBondContact N-O 2.99Å; F136-G143 PolarHBondContact O-N 2.83Å; F136-L271 HydrophobicContact CZ-CD1 4.47Å |
| 137 | F | 93.9 | Very high | 94.3 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 115.1 | -179.8 | -60 | -80.2 | 0 | 0 | 0 | 110.7 | R59 E90 L91 Q92 A93 E135 Q142 | R59-F137 VanDerWaalsContact NH1-CE2 3.31Å; E90-F137 HydrophobicContact CB-CE2 4.34Å; E90-F137 HydrophobicContact CG-CE2 4.27Å; L91-F137 WeakPolarHBondContact O-CD2 3.48Å; L91-F137 PolarHBondContact O-N 2.83Å; Q92-F137 CarbonylContact C-O 3.54Å; Q92-F137 WeakPolarHBondContact CA-O 3.38Å; Q92-F137 HydrophobicContact CB-CB 4.3Å; Q92-F137 HydrophobicContact CG-CB 4.34Å; A93-F137 PolarHBondContact N-O 3.25Å; E135-F137 HydrophobicContact CB-CE2 3.95Å; E135-F137 HydrophobicContact CB-CZ 4.17Å; E135-F137 WeakPolarHBondContact OE2-CZ 3.39Å; F137-Q142 HydrophobicContact CD1-CG 4.19Å; F137-Q142 HydrophobicContact CE1-CG 4.14Å |
| 138 | A | 91.1 | Very high | 94.3 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 10% | 0.099 | 20% | 0.203 | C | C | . | . | trans | -126.3 | 168.5 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | A93 F136 A140 F141 L271 | A93-A138 HydrophobicContact CB-CB 4.12Å; F136-A138 HydrophobicContact CD1-CB 4.26Å; F136-A138 HydrophobicContact CE1-CB 3.69Å; A138-A140 VanDerWaalsContact C-N 3.35Å; A138-A140 PolarHBondContact O-N 2.97Å; A138-F141 CarbonylContact C-O 3.54Å; A138-F141 HydrophobicContact CB-CD1 3.97Å; A138-F141 HydrophobicContact CB-CE1 3.77Å; A138-F141 HydrophobicContact CB-CG 4.44Å; A138-F141 HydrophobicContact CB-CZ 4.09Å; A138-F141 PolarHBondContact N-O 2.73Å; A138-L271 HydrophobicContact CB-CD2 3.94Å | ||
| 139 | Q | 85.5 | Confident | 94.2 | Very high | 112 Ų | 112 | 41.8 Ų | 41.8 | 52% | 0.523 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -66.5 | -33.9 | -174.3 | -167.4 | -173.9 | 58.9 | 0 | 0 | 113.4 | ||
| 140 | A | 86 | Confident | 94.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -100.3 | -16.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A138 L195 L196 F267 S270 | A138-A140 VanDerWaalsContact C-N 3.35Å; A138-A140 PolarHBondContact O-N 2.97Å; A140-L195 PolarHBondContact O-N 3.16Å; A140-L196 HydrophobicContact CB-CD1 3.8Å; A140-L196 HydrophobicContact CB-CG 4.07Å; A140-F267 HydrophobicContact CB-CD1 4.32Å; A140-S270 VanDerWaalsContact CB-CB 3.46Å |
| 141 | F | 91.6 | Very high | 94.2 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 154.3 | -173.7 | 69.7 | -84.8 | 0 | 0 | 0 | 112.3 | F136 A138 A192 D193 F267 L271 | F136-F141 HydrophobicContact CD1-CD2 4.41Å; F136-F141 AromaticContact CD1-CE2 3.55Å; F136-F141 HydrophobicContact CD1-CE2 3.55Å; F136-F141 AromaticContact CD1-CZ 3.89Å; F136-F141 HydrophobicContact CD1-CZ 3.89Å; F136-F141 HydrophobicContact CE1-CE1 4.39Å; F136-F141 AromaticContact CE1-CE2 3.69Å; F136-F141 HydrophobicContact CE1-CE2 3.69Å; F136-F141 AromaticContact CE1-CZ 3.49Å; F136-F141 HydrophobicContact CE1-CZ 3.49Å; F136-F141 VanDerWaalsContact CE1-CZ 3.49Å; A138-F141 CarbonylContact C-O 3.54Å; A138-F141 HydrophobicContact CB-CD1 3.97Å; A138-F141 HydrophobicContact CB-CE1 3.77Å; A138-F141 HydrophobicContact CB-CG 4.44Å; A138-F141 HydrophobicContact CB-CZ 4.09Å; A138-F141 PolarHBondContact N-O 2.73Å; F141-A192 HydrophobicContact CD2-CB 3.64Å; F141-A192 HydrophobicContact CE2-CB 4.03Å; F141-A192 HydrophobicContact CG-CB 4.36Å; F141-D193 CarbonylContact C-O 3.59Å; F141-D193 VanDerWaalsContact CA-O 3.25Å; F141-D193 WeakPolarHBondContact CA-O 3.48Å; F141-D193 WeakPolarHBondContact CB-O 3.29Å; F141-F267 HydrophobicContact CB-CD1 3.78Å; F141-F267 HydrophobicContact CB-CD2 4.25Å; F141-F267 HydrophobicContact CB-CE1 3.66Å; F141-F267 HydrophobicContact CB-CE2 4.14Å; F141-F267 HydrophobicContact CB-CG 4.09Å; F141-F267 HydrophobicContact CB-CZ 3.86Å; F141-F267 HydrophobicContact CD1-CB 3.67Å; F141-F267 AromaticContact CD1-CD1 3.79Å; F141-F267 HydrophobicContact CD1-CD1 3.79Å; F141-F267 HydrophobicContact CD1-CD2 4.27Å; F141-F267 AromaticContact CD1-CG 3.64Å; F141-F267 HydrophobicContact CD1-CG 3.64Å; F141-F267 HydrophobicContact CE1-CB 3.76Å; F141-F267 HydrophobicContact CE1-CG 4.21Å; F141-F267 HydrophobicContact CG-CB 4.41Å; F141-F267 HydrophobicContact CG-CD1 4.07Å; F141-F267 HydrophobicContact CG-CD2 4.17Å; F141-F267 HydrophobicContact CG-CE1 4.42Å; F141-F267 AromaticContact CG-CG 3.95Å; F141-F267 HydrophobicContact CG-CG 3.95Å; F141-L271 HydrophobicContact CE1-CD1 4.27Å; F141-L271 HydrophobicContact CE1-CD2 4.41Å; F141-L271 HydrophobicContact CE1-CG 4.31Å; F141-L271 HydrophobicContact CZ-CD1 4.18Å |
| 142 | Q | 92.9 | Very high | 94.2 | Very high | 73 Ų | 73 | 41.8 Ų | 41.8 | 34% | 0.341 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 124.9 | 164.4 | -177.1 | 171.3 | -18.8 | 0 | 0 | 108 | F136 F137 D193 L195 | F136-Q142 CarbonylContact O-C 3.6Å; F136-Q142 WeakPolarHBondContact O-CA 3.26Å; F137-Q142 HydrophobicContact CD1-CG 4.19Å; F137-Q142 HydrophobicContact CE1-CG 4.14Å; Q142-D193 PolarHBondContact N-O 2.94Å; Q142-D193 PolarHBondContact O-N 2.75Å; Q142-L195 HydrophobicContact CB-CD1 4.21Å; Q142-L195 HydrophobicContact CB-CD2 4.31Å; Q142-L195 HydrophobicContact CB-CG 4.37Å |
| 143 | G | 93.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 43 Ų | 43 | 6% | 0.062 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 157.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | F136 V191 | F136-G143 PolarHBondContact N-O 2.99Å; F136-G143 PolarHBondContact O-N 2.83Å; G143-V191 CarbonylContact C-O 3.56Å; G143-V191 WeakPolarHBondContact CA-O 3.46Å |
| 144 | S | 94.4 | Very high | 94.1 | Very high | 31 Ų | 31 | 40.5 Ų | 40.5 | 22% | 0.217 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 139.8 | 165.6 | 59.1 | 0 | 0 | 0 | 0 | 110.4 | I134 I190 V191 | I134-S144 CarbonylContact O-C 3.52Å; I134-S144 VanDerWaalsContact O-CA 3.28Å; I134-S144 WeakPolarHBondContact O-CA 3.45Å; S144-I190 WeakPolarHBondContact O-CA 3.2Å; S144-V191 PolarHBondContact N-O 2.81Å; S144-V191 PolarHBondContact O-N 3.36Å |
| 145 | V | 95.4 | Very high | 94 | Very high | 33 Ų | 33 | 39.7 Ų | 39.7 | 20% | 0.2 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 118.3 | 172.5 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | F133 I134 L147 R189 I190 | F133-V145 CarbonylContact C-O 3.56Å; F133-V145 WeakPolarHBondContact CA-O 3.14Å; I134-V145 HydrophobicContact CB-CB 4.17Å; I134-V145 PolarHBondContact N-O 3.06Å; I134-V145 PolarHBondContact O-N 3.39Å; V145-L147 HydrophobicContact CG1-CD2 3.88Å; V145-L147 HydrophobicContact CG1-CG 4.23Å; V145-R189 CarbonylContact C-O 3.57Å; V145-R189 VanDerWaalsContact CA-O 3.3Å; V145-R189 WeakPolarHBondContact CA-O 3.35Å; V145-I190 HydrophobicContact CB-CG1 4.45Å; V145-I190 HydrophobicContact CG1-CG1 3.88Å; V145-I190 HydrophobicContact CG2-CG1 4.04Å; V145-I190 HydrophobicContact CG2-CG2 4.39Å |
| 146 | E | 95.4 | Very high | 93.9 | Very high | 72 Ų | 72 | 37.2 Ų | 37.2 | 34% | 0.336 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.8 | 173.6 | -175.4 | -174.1 | -155.9 | 0 | 0 | 109.2 | V132 F133 A188 R189 | V132-E146 CarbonylContact O-C 3.49Å; V132-E146 WeakPolarHBondContact O-CA 2.94Å; F133-E146 HydrophobicContact CD2-CB 4.36Å; E146-A188 CarbonylContact O-C 3.55Å; E146-A188 WeakPolarHBondContact O-CA 3.16Å; E146-R189 HydrophobicContact CB-CB 4.38Å; E146-R189 PolarHBondContact N-O 2.87Å; E146-R189 PolarHBondContact O-N 3.47Å; E146-R189 WeakPolarHBondContact OE2-CD 3.45Å; E146-R189 IonicContact OE2-CZ 2.8Å; E146-R189 IonicContact OE2-NH1 3.61Å; E146-R189 PolarHBondContact OE2-NH1 3.29Å; E146-R189 VanDerWaalsContact OE2-NH1 3.09Å |
| 147 | L | 96.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 36.5 Ų | 36.5 | 11% | 0.11 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.6 | 175.1 | -50.2 | 177.8 | 0 | 0 | 0 | 110.2 | S131 V132 V145 F150 W185 S187 A188 | S131-L147 CarbonylContact C-O 3.59Å; S131-L147 WeakPolarHBondContact CA-O 3.48Å; V132-L147 HydrophobicContact CB-CB 4.23Å; V132-L147 HydrophobicContact CB-CD1 4.5Å; V132-L147 PolarHBondContact N-O 3.32Å; V132-L147 PolarHBondContact O-N 3.02Å; V145-L147 HydrophobicContact CG1-CD2 3.88Å; V145-L147 HydrophobicContact CG1-CG 4.23Å; L147-F150 HydrophobicContact CD1-CD2 3.9Å; L147-F150 HydrophobicContact CD1-CE2 4.29Å; L147-W185 HydrophobicContact CB-CB 4.47Å; L147-W185 HydrophobicContact CD2-CG 4.43Å; L147-S187 WeakPolarHBondContact CA-O 3.35Å; L147-A188 HydrophobicContact CD2-CB 3.51Å |
| 148 | S | 95.3 | Very high | 93.6 | Very high | 35 Ų | 35 | 39 Ų | 39 | 25% | 0.245 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 144.1 | 176.1 | 66.3 | 0 | 0 | 0 | 0 | 112.9 | F150 W185 E186 S187 | S148-F150 VanDerWaalsContact C-N 3.26Å; S148-F150 PolarHBondContact O-N 3.06Å; S148-W185 WeakPolarHBondContact O-CB 3.42Å; S148-E186 PolarHBondContact O-N 3.36Å; S148-S187 PolarHBondContact N-O 2.85Å; S148-S187 WeakPolarHBondContact OG-CB 3.35Å; S148-S187 PolarHBondContact OG-N 3.49Å |
| 149 | R | 95.4 | Very high | 93.7 | Very high | 131 Ų | 131 | 40.4 Ų | 40.4 | 49% | 0.494 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.1 | 42.7 | 178.2 | -52.4 | -52.6 | -170.1 | 176.8 | -1.1 | 114 | V129 N130 C151 E186 | V129-R149 CarbonylContact O-C 3.54Å; V129-R149 WeakPolarHBondContact O-CA 3.39Å; N130-R149 PolarHBondContact O-N 3.07Å; N130-R149 PolarHBondContact OD1-NH1 3.49Å; R149-C151 PolarHBondContact O-N 2.89Å; R149-E186 HydrophobicContact CB-CB 4.27Å; R149-E186 HydrophobicContact CB-CG 3.91Å; R149-E186 HydrophobicContact CG-CB 4.4Å; R149-E186 HydrophobicContact CG-CG 4.07Å; R149-E186 WeakPolarHBondContact CG-OE2 3.32Å |
| 150 | F | 96.7 | Very high | 94 | Very high | 44 Ų | 44 | 41.4 Ų | 41.4 | 19% | 0.193 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 126.3 | 178.7 | 177.2 | -88 | 0 | 0 | 0 | 111 | V129 V132 L147 S148 V152 V183 S184 | V129-F150 HydrophobicContact CB-CB 4.24Å; V129-F150 HydrophobicContact CB-CD1 4.27Å; V129-F150 HydrophobicContact CG2-CD1 3.89Å; V129-F150 PolarHBondContact N-O 3.41Å; V129-F150 PolarHBondContact O-N 3.29Å; V132-F150 HydrophobicContact CG2-CB 3.79Å; V132-F150 HydrophobicContact CG2-CD1 4.03Å; V132-F150 HydrophobicContact CG2-CD2 4.5Å; V132-F150 HydrophobicContact CG2-CG 3.87Å; L147-F150 HydrophobicContact CD1-CD2 3.9Å; L147-F150 HydrophobicContact CD1-CE2 4.29Å; S148-F150 VanDerWaalsContact C-N 3.26Å; S148-F150 PolarHBondContact O-N 3.06Å; F150-V152 HydrophobicContact CD1-CG2 4.37Å; F150-V152 HydrophobicContact CE1-CG2 3.49Å; F150-V152 VanDerWaalsContact CE1-CG2 3.49Å; F150-V152 HydrophobicContact CZ-CG2 3.8Å; F150-V183 HydrophobicContact CD2-CG1 4.17Å; F150-V183 HydrophobicContact CE1-CG1 4.49Å; F150-V183 HydrophobicContact CE2-CG1 3.35Å; F150-V183 HydrophobicContact CZ-CG1 3.55Å; F150-S184 CarbonylContact C-O 3.55Å; F150-S184 WeakPolarHBondContact CA-O 3.38Å |
| 151 | C | 96.8 | Very high | 94.3 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 14% | 0.135 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 141.3 | -175.4 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | I127 R149 V183 S184 | I127-C151 CarbonylContact O-C 3.56Å; I127-C151 WeakPolarHBondContact O-CA 3.27Å; R149-C151 PolarHBondContact O-N 2.89Å; C151-V183 CarbonylContact O-C 3.56Å; C151-V183 VanDerWaalsContact O-CA 3.23Å; C151-V183 WeakPolarHBondContact O-CA 3.38Å; C151-S184 PolarHBondContact N-O 3.46Å; C151-S184 PolarHBondContact O-N 3.4Å |
| 152 | V | 96.2 | Very high | 94.2 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 122.7 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | T126 I127 F150 E182 V183 | T126-V152 CarbonylContact C-O 3.58Å; T126-V152 VanDerWaalsContact CA-O 3.29Å; T126-V152 WeakPolarHBondContact CA-O 3.3Å; I127-V152 HydrophobicContact CB-CB 4.22Å; I127-V152 HydrophobicContact CB-CG2 4.49Å; I127-V152 PolarHBondContact N-O 2.9Å; I127-V152 PolarHBondContact O-N 2.82Å; F150-V152 HydrophobicContact CD1-CG2 4.37Å; F150-V152 HydrophobicContact CE1-CG2 3.49Å; F150-V152 VanDerWaalsContact CE1-CG2 3.49Å; F150-V152 HydrophobicContact CZ-CG2 3.8Å; V152-E182 WeakPolarHBondContact CA-O 3.49Å; V152-V183 HydrophobicContact CG1-CG2 4.23Å; V152-V183 HydrophobicContact CG2-CG1 4.19Å; V152-V183 HydrophobicContact CG2-CG2 4.14Å |
| 153 | L | 95.4 | Very high | 94 | Very high | 33 Ų | 33 | 49 Ų | 49 | 17% | 0.173 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 155.6 | 176.3 | 64 | 148.5 | 0 | 0 | 0 | 113.4 | T126 K155 K181 E182 | T126-L153 HydrophobicContact CG2-CB 4.19Å; L153-K155 HydrophobicContact CD1-CD 4Å; L153-K155 HydrophobicContact CG-CD 4.49Å; L153-K181 CarbonylContact O-C 3.59Å; L153-K181 WeakPolarHBondContact O-CA 3.36Å; L153-E182 PolarHBondContact N-O 3.08Å; L153-E182 PolarHBondContact O-N 2.82Å |
| 154 | S | 95.8 | Very high | 93.7 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 146 | 169.6 | -57.5 | 0 | 0 | 0 | 0 | 111.3 | F180 | S154-F180 WeakPolarHBondContact CA-O 3.42Å |
| 155 | K | 95.6 | Very high | 93.2 | Very high | 16 Ų | 16 | 52.6 Ų | 52.6 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | trans | -130.6 | 166.9 | -176.2 | -68.1 | -69.9 | -167.4 | 148.3 | 0 | 111.8 | L153 W159 N161 C162 S167 F180 E182 | L153-K155 HydrophobicContact CD1-CD 4Å; L153-K155 HydrophobicContact CG-CD 4.49Å; K155-W159 HydrophobicContact CB-CE3 4.17Å; K155-W159 HydrophobicContact CG-CE3 4.31Å; K155-N161 WeakPolarHBondContact CE-OD1 3.41Å; K155-N161 PolarHBondContact NZ-OD1 3.17Å; K155-C162 VanDerWaalsContact C-SG 3.58Å; K155-S167 WeakPolarHBondContact O-CA 3.46Å; K155-S167 WeakPolarHBondContact O-CB 3.43Å; K155-F180 PolarHBondContact N-O 2.96Å; K155-E182 HydrophobicContact CD-CB 4.49Å; K155-E182 WeakPolarHBondContact CE-OE2 3.42Å; K155-E182 HydrophobicContact CG-CB 3.8Å; K155-E182 IonicContact NZ-OE2 2.72Å; K155-E182 PolarHBondContact NZ-OE2 2.69Å | ||
| 156 | S | 93.5 | Very high | 92.8 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | trans | -68.7 | 165.1 | 164.6 | 72.5 | 0 | 0 | 0 | 0 | 111.1 | N158 W159 Q160 C162 | S156-N158 PolarHBondContact O-N 2.59Å; S156-N158 VanDerWaalsContact O-N 3.16Å; S156-N158 PolarHBondContact OG-N 3.32Å; S156-W159 PolarHBondContact O-N 3.13Å; S156-Q160 PolarHBondContact N-O 3.25Å; S156-Q160 PolarHBondContact OG-N 2.94Å; S156-Q160 VanDerWaalsContact OG-N 3.07Å; S156-Q160 PolarHBondContact OG-O 2.94Å; S156-C162 PolarHBondContact N-SG 3.25Å | ||
| 157 | P | 91.5 | Very high | 92.5 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -32 | 171.6 | -24.9 | 33.7 | 0 | 0 | 0 | 113.5 | W159 L169 F180 Y353 | P157-W159 VanDerWaalsContact C-N 3.26Å; P157-W159 PolarHBondContact O-N 3.41Å; P157-W159 PolarHBondContact O-NE1 3.46Å; P157-L169 HydrophobicContact CG-CD1 4Å; P157-L169 HydrophobicContact CG-CD2 4.24Å; P157-L169 HydrophobicContact CG-CG 4.09Å; P157-F180 HydrophobicContact CB-CD1 4.49Å; P157-F180 HydrophobicContact CB-CD2 4.45Å; P157-F180 HydrophobicContact CB-CE1 4.02Å; P157-F180 HydrophobicContact CB-CE2 4.02Å; P157-F180 HydrophobicContact CB-CZ 3.78Å; P157-F180 HydrophobicContact CG-CD2 4.13Å; P157-F180 HydrophobicContact CG-CE2 3.69Å; P157-F180 HydrophobicContact CG-CZ 3.95Å; P157-Y353 HydrophobicContact CB-CD1 4.02Å; P157-Y353 HydrophobicContact CB-CD2 3.78Å; P157-Y353 HydrophobicContact CB-CE1 3.88Å; P157-Y353 HydrophobicContact CB-CE2 3.66Å; P157-Y353 HydrophobicContact CB-CG 3.99Å |
| 158 | N | 90.5 | Very high | 92.1 | Very high | 100 Ų | 100 | 53.1 Ų | 53.1 | 54% | 0.535 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 12.3 | 177.9 | -54.2 | 38.2 | 0 | 0 | 0 | 112.9 | S156 Q160 Y353 | S156-N158 PolarHBondContact O-N 2.59Å; S156-N158 VanDerWaalsContact O-N 3.16Å; S156-N158 PolarHBondContact OG-N 3.32Å; N158-Q160 PolarHBondContact O-N 3.26Å; N158-Y353 PolarHBondContact OD1-OH 3.31Å; N158-Y353 VanDerWaalsContact OD1-OH 3.14Å |
| 159 | W | 93.3 | Very high | 91.7 | Very high | 42 Ų | 42 | 52.9 Ų | 52.9 | 16% | 0.159 | 27% | 0.271 | C | S | . | . | S | Bend | trans | 63.5 | 16.1 | 178.7 | -52.6 | 97 | 0 | 0 | 0 | 116.4 | K155 S156 P157 F180 K181 R214 | K155-W159 HydrophobicContact CB-CE3 4.17Å; K155-W159 HydrophobicContact CG-CE3 4.31Å; S156-W159 PolarHBondContact O-N 3.13Å; P157-W159 VanDerWaalsContact C-N 3.26Å; P157-W159 PolarHBondContact O-N 3.41Å; P157-W159 PolarHBondContact O-NE1 3.46Å; W159-F180 HydrophobicContact CH2-CB 4.2Å; W159-F180 HydrophobicContact CH2-CD1 4.15Å; W159-F180 HydrophobicContact CZ2-CD1 4.1Å; W159-F180 HydrophobicContact CZ3-CB 4.18Å; W159-K181 WeakPolarHBondContact CZ3-O 3.3Å; W159-R214 VanDerWaalsContact CB-CZ 3.48Å; W159-R214 HydrophobicContact CD2-CB 4.38Å; W159-R214 HydrophobicContact CD2-CG 3.98Å; W159-R214 HydrophobicContact CE3-CB 4.03Å; W159-R214 HydrophobicContact CE3-CG 3.62Å; W159-R214 HydrophobicContact CH2-CB 3.61Å; W159-R214 HydrophobicContact CH2-CG 4.17Å; W159-R214 HydrophobicContact CZ2-CB 3.96Å; W159-R214 HydrophobicContact CZ2-CG 4.47Å; W159-R214 HydrophobicContact CZ3-CB 3.64Å; W159-R214 HydrophobicContact CZ3-CG 3.73Å |
| 160 | Q | 93.3 | Very high | 91.2 | Very high | 132 Ų | 132 | 49.5 Ų | 49.5 | 62% | 0.617 | 27% | 0.265 | S | S | * | . | trans | -83.7 | 155.4 | 174.7 | -63.8 | 175.4 | -16.3 | 0 | 0 | 111.2 | S156 N158 C162 | S156-Q160 PolarHBondContact N-O 3.25Å; S156-Q160 PolarHBondContact OG-N 2.94Å; S156-Q160 VanDerWaalsContact OG-N 3.07Å; S156-Q160 PolarHBondContact OG-O 2.94Å; N158-Q160 PolarHBondContact O-N 3.26Å; Q160-C162 PolarHBondContact O-N 2.81Å | ||
| 161 | N | 92.2 | Very high | 90.4 | Very high | 129 Ų | 129 | 47.7 Ų | 47.7 | 69% | 0.69 | 26% | 0.257 | S | S | * | . | trans | -68.2 | 126.6 | 171.9 | -67.5 | -19.4 | 0 | 0 | 0 | 109.2 | K155 | K155-N161 WeakPolarHBondContact CE-OD1 3.41Å; K155-N161 PolarHBondContact NZ-OD1 3.17Å | ||
| 162 | C | 89 | Confident | 89.3 | Confident | 43 Ų | 43 | 51 Ų | 51 | 29% | 0.291 | 28% | 0.278 | S | S | . | . | trans | -144.2 | 170.6 | -176.8 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | K155 S156 Q160 L166 | K155-C162 VanDerWaalsContact C-SG 3.58Å; S156-C162 PolarHBondContact N-SG 3.25Å; Q160-C162 PolarHBondContact O-N 2.81Å; C162-L166 HydrophobicContact CB-CB 4.06Å; C162-L166 HydrophobicContact CB-CD1 4.49Å | ||
| 163 | L | 88.7 | Confident | 88.2 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 41% | 0.414 | 30% | 0.298 | S | S | . | . | trans | -72.1 | 149.6 | 168.3 | -62.2 | 176 | 0 | 0 | 0 | 110.2 | T77 N165 L166 | T77-L163 WeakPolarHBondContact O-CA 3.19Å; L163-N165 WeakPolarHBondContact CB-OD1 3.32Å; L163-N165 PolarHBondContact O-N 3.08Å; L163-L166 WeakPolarHBondContact O-CA 3.23Å; L163-L166 WeakPolarHBondContact O-CB 3.42Å; L163-L166 PolarHBondContact O-N 3.4Å | ||
| 164 | L | 87.3 | Confident | 87 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -56.1 | -28.4 | -174.6 | -71.4 | -174 | 0 | 0 | 0 | 114.9 | T77 P79 L166 S167 | T77-L164 PolarHBondContact O-N 3.04Å; P79-L164 HydrophobicContact CB-CD1 4.32Å; P79-L164 HydrophobicContact CB-CD2 4.43Å; L164-L166 PolarHBondContact O-N 3.46Å; L164-S167 PolarHBondContact O-N 3.14Å; L164-S167 PolarHBondContact O-OG 3.4Å |
| 165 | N | 84.6 | Confident | 86.2 | Confident | 88 Ų | 88 | 60.1 Ų | 60.1 | 47% | 0.471 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -69.8 | -11.1 | 176.3 | 63.7 | -67.7 | 0 | 0 | 0 | 113.7 | L163 | L163-N165 WeakPolarHBondContact CB-OD1 3.32Å; L163-N165 PolarHBondContact O-N 3.08Å |
| 166 | L | 86.5 | Confident | 85.6 | Confident | 102 Ų | 102 | 59.8 Ų | 59.8 | 53% | 0.534 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -108.8 | 2.7 | 175.7 | -55.7 | 177.5 | 0 | 0 | 0 | 112.4 | C162 L163 L164 | C162-L166 HydrophobicContact CB-CB 4.06Å; C162-L166 HydrophobicContact CB-CD1 4.49Å; L163-L166 WeakPolarHBondContact O-CA 3.23Å; L163-L166 WeakPolarHBondContact O-CB 3.42Å; L163-L166 PolarHBondContact O-N 3.4Å; L164-L166 PolarHBondContact O-N 3.46Å |
| 167 | S | 88.7 | Confident | 85.4 | Confident | 5 Ų | 5 | 59.1 Ų | 59.1 | 4% | 0.035 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -97.5 | 5.2 | -177.6 | 75.8 | 0 | 0 | 0 | 0 | 114.6 | K155 L164 F180 | K155-S167 WeakPolarHBondContact O-CA 3.46Å; K155-S167 WeakPolarHBondContact O-CB 3.43Å; L164-S167 PolarHBondContact O-N 3.14Å; L164-S167 PolarHBondContact O-OG 3.4Å; S167-F180 PolarHBondContact O-N 2.91Å |
| 168 | T | 88.3 | Confident | 85.4 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 18% | 0.184 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 136.9 | 180 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | I177 L178 M179 | T168-I177 HydrophobicContact CG2-CD1 4.25Å; T168-L178 CarbonylContact C-O 3.5Å; T168-L178 VanDerWaalsContact CA-O 3.24Å; T168-L178 WeakPolarHBondContact CA-O 3.46Å; T168-M179 HydrophobicContact CG2-CB 4.3Å; T168-M179 HydrophobicContact CG2-CG 3.85Å; T168-M179 HydrophobicContact CG2-SD 4.36Å |
| 169 | L | 87.2 | Confident | 85.5 | Confident | 30 Ų | 30 | 54 Ų | 54 | 16% | 0.157 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 119 | 168.6 | -57.8 | 175.3 | 0 | 0 | 0 | 108.2 | P157 I177 L178 F180 M349 F350 Y353 | P157-L169 HydrophobicContact CG-CD1 4Å; P157-L169 HydrophobicContact CG-CD2 4.24Å; P157-L169 HydrophobicContact CG-CG 4.09Å; L169-I177 WeakPolarHBondContact O-CA 3.33Å; L169-L178 HydrophobicContact CB-CB 4.32Å; L169-L178 PolarHBondContact N-O 2.81Å; L169-L178 PolarHBondContact O-N 2.68Å; L169-F180 HydrophobicContact CD1-CE2 4.3Å; L169-F180 HydrophobicContact CD1-CZ 4.27Å; L169-F180 HydrophobicContact CG-CE2 4.18Å; L169-M349 HydrophobicContact CD2-CE 4.4Å; L169-F350 HydrophobicContact CB-CD2 4.06Å; L169-Y353 HydrophobicContact CD1-CD2 3.93Å; L169-Y353 HydrophobicContact CD1-CG 4.5Å |
| 170 | T | 83.8 | Confident | 85.6 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122.5 | 178.9 | 51.4 | 0 | 0 | 0 | 0 | 110.1 | I177 | T170-I177 HydrophobicContact CG2-CB 4.11Å; T170-I177 HydrophobicContact CG2-CD1 3.59Å; T170-I177 HydrophobicContact CG2-CG1 3.64Å |
| 171 | L | 80.9 | Confident | 85.7 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 94.3 | 168.7 | -137 | 99.6 | 0 | 0 | 0 | 109.9 | Q173 Y174 D175 S176 V347 F350 | L171-Q173 PolarHBondContact O-N 2.75Å; L171-Y174 HydrophobicContact CD2-CD2 3.24Å; L171-Y174 HydrophobicContact CD2-CE2 3.52Å; L171-Y174 HydrophobicContact CD2-CG 4.13Å; L171-Y174 HydrophobicContact CG-CD2 4.47Å; L171-Y174 PolarHBondContact O-N 3.03Å; L171-D175 PolarHBondContact O-N 3.18Å; L171-S176 PolarHBondContact N-O 3.33Å; L171-S176 PolarHBondContact O-N 3.21Å; L171-V347 HydrophobicContact CD1-CG2 4.1Å; L171-V347 HydrophobicContact CD2-CG2 4.03Å; L171-F350 HydrophobicContact CB-CD2 3.81Å; L171-F350 HydrophobicContact CB-CE2 4.05Å; L171-F350 HydrophobicContact CB-CG 4.11Å; L171-F350 HydrophobicContact CD1-CB 3.91Å; L171-F350 HydrophobicContact CD1-CD2 4.41Å; L171-F350 HydrophobicContact CD1-CG 4.25Å |
| 172 | P | 73.5 | Confident | 85.9 | Confident | 89 Ų | 89 | 42 Ų | 42 | 58% | 0.578 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -58.3 | -28.6 | -176.7 | -26.5 | 35.8 | 0 | 0 | 0 | 114.5 | D175 | P172-D175 PolarHBondContact O-N 3.41Å; P172-D175 VanDerWaalsContact O-N 3.14Å |
| 173 | Q | 72.5 | Confident | 86.3 | Confident | 119 Ų | 119 | 40.8 Ų | 40.8 | 56% | 0.556 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -65.3 | -40.6 | -179.6 | -68 | 80.5 | -6.2 | 0 | 0 | 112.6 | L171 D175 | L171-Q173 PolarHBondContact O-N 2.75Å; Q173-D175 VanDerWaalsContact C-N 3.26Å |
| 174 | Y | 70.2 | Confident | 86.6 | Confident | 123 Ų | 123 | 38.7 Ų | 38.7 | 48% | 0.482 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -90 | 12.6 | 173.5 | -62.1 | -46.5 | 0 | 0 | 0 | 112.9 | L171 S176 H351 | L171-Y174 HydrophobicContact CD2-CD2 3.24Å; L171-Y174 HydrophobicContact CD2-CE2 3.52Å; L171-Y174 HydrophobicContact CD2-CG 4.13Å; L171-Y174 HydrophobicContact CG-CD2 4.47Å; L171-Y174 PolarHBondContact O-N 3.03Å; Y174-S176 WeakPolarHBondContact O-CB 3.34Å; Y174-S176 PolarHBondContact O-N 3.31Å; Y174-S176 PolarHBondContact O-OG 3.28Å; Y174-H351 AromaticContact CE2-CE1 3.72Å; Y174-H351 AromaticContact CE2-NE2 3.51Å; Y174-H351 AromaticContact CZ-NE2 3.98Å |
| 175 | D | 78.5 | Confident | 87.1 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 11% | 0.107 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 30.7 | -179.4 | -167.5 | 48.4 | 0 | 0 | 0 | 113.8 | L171 P172 Q173 R220 I221 S222 | L171-D175 PolarHBondContact O-N 3.18Å; P172-D175 PolarHBondContact O-N 3.41Å; P172-D175 VanDerWaalsContact O-N 3.14Å; Q173-D175 VanDerWaalsContact C-N 3.26Å; D175-R220 CarbonylContact O-C 3.56Å; D175-R220 WeakPolarHBondContact O-CA 3.21Å; D175-R220 WeakPolarHBondContact OD2-CG 3.24Å; D175-R220 IonicContact OD2-NE 3.46Å; D175-R220 PolarHBondContact OD2-NE 3.38Å; D175-I221 PolarHBondContact O-N 3.1Å; D175-I221 WeakPolarHBondContact OD1-CB 3.16Å; D175-S222 VanDerWaalsContact CG-N 3.29Å; D175-S222 WeakPolarHBondContact OD1-CA 3.37Å; D175-S222 PolarHBondContact OD1-N 3.43Å; D175-S222 PolarHBondContact OD1-OG 3.41Å; D175-S222 VanDerWaalsContact OD1-OG 3.13Å; D175-S222 PolarHBondContact OD2-N 2.73Å |
| 176 | S | 84.6 | Confident | 87.5 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 138.6 | -165.6 | -66.6 | 0 | 0 | 0 | 0 | 112.7 | L171 Y174 I221 | L171-S176 PolarHBondContact N-O 3.33Å; L171-S176 PolarHBondContact O-N 3.21Å; Y174-S176 WeakPolarHBondContact O-CB 3.34Å; Y174-S176 PolarHBondContact O-N 3.31Å; Y174-S176 PolarHBondContact O-OG 3.28Å; S176-I221 WeakPolarHBondContact O-CD1 3.43Å |
| 177 | I | 88.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 128.6 | 171.6 | -179.9 | 176.5 | 0 | 0 | 0 | 109.7 | Y115 T168 L169 T170 M179 K218 K219 I221 | Y115-I177 HydrophobicContact CD1-CD1 4.31Å; Y115-I177 HydrophobicContact CE1-CD1 3.46Å; Y115-I177 VanDerWaalsContact CE1-CD1 3.46Å; T168-I177 HydrophobicContact CG2-CD1 4.25Å; L169-I177 WeakPolarHBondContact O-CA 3.33Å; T170-I177 HydrophobicContact CG2-CB 4.11Å; T170-I177 HydrophobicContact CG2-CD1 3.59Å; T170-I177 HydrophobicContact CG2-CG1 3.64Å; I177-M179 HydrophobicContact CD1-CG 4.05Å; I177-M179 HydrophobicContact CD1-SD 4.16Å; I177-M179 HydrophobicContact CG1-CG 3.93Å; I177-K218 CarbonylContact O-C 3.54Å; I177-K218 WeakPolarHBondContact O-CA 3.15Å; I177-K219 HydrophobicContact CG2-CB 3.84Å; I177-K219 WeakPolarHBondContact CG2-O 3.26Å; I177-K219 PolarHBondContact N-O 3Å; I177-K219 PolarHBondContact O-N 3.3Å; I177-I221 HydrophobicContact CB-CD1 4.22Å; I177-I221 HydrophobicContact CB-CG1 4.09Å; I177-I221 HydrophobicContact CG2-CG1 4.03Å |
| 178 | L | 91.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 137.5 | 168 | -66.2 | 165.6 | 0 | 0 | 0 | 109.2 | T168 L169 F180 T216 M217 K218 F350 V355 | T168-L178 CarbonylContact C-O 3.5Å; T168-L178 VanDerWaalsContact CA-O 3.24Å; T168-L178 WeakPolarHBondContact CA-O 3.46Å; L169-L178 HydrophobicContact CB-CB 4.32Å; L169-L178 PolarHBondContact N-O 2.81Å; L169-L178 PolarHBondContact O-N 2.68Å; L178-F180 HydrophobicContact CB-CE2 4.19Å; L178-F180 HydrophobicContact CB-CZ 4.21Å; L178-T216 HydrophobicContact CD2-CG2 4.38Å; L178-M217 WeakPolarHBondContact CA-O 3.4Å; L178-K218 HydrophobicContact CD2-CB 3.81Å; L178-K218 HydrophobicContact CD2-CG 4.03Å; L178-F350 HydrophobicContact CB-CE2 4.31Å; L178-F350 HydrophobicContact CD1-CD1 4.16Å; L178-F350 HydrophobicContact CD1-CD2 3.79Å; L178-F350 HydrophobicContact CD1-CE1 4Å; L178-F350 HydrophobicContact CD1-CE2 3.63Å; L178-F350 HydrophobicContact CD1-CG 4.05Å; L178-F350 HydrophobicContact CD1-CZ 3.72Å; L178-F350 HydrophobicContact CG-CD2 4.28Å; L178-F350 HydrophobicContact CG-CE1 4.38Å; L178-F350 HydrophobicContact CG-CE2 3.64Å; L178-F350 HydrophobicContact CG-CZ 3.68Å; L178-V355 HydrophobicContact CD2-CG2 4.23Å |
| 179 | M | 92.1 | Very high | 88.1 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 144.7 | 178.8 | -50.3 | -170.3 | -55 | 0 | 0 | 110.3 | D123 T168 I177 T216 M217 K219 | D123-M179 HydrophobicContact CB-CE 4.24Å; D123-M179 HydrophobicContact CB-SD 3.98Å; T168-M179 HydrophobicContact CG2-CB 4.3Å; T168-M179 HydrophobicContact CG2-CG 3.85Å; T168-M179 HydrophobicContact CG2-SD 4.36Å; I177-M179 HydrophobicContact CD1-CG 4.05Å; I177-M179 HydrophobicContact CD1-SD 4.16Å; I177-M179 HydrophobicContact CG1-CG 3.93Å; M179-T216 WeakPolarHBondContact O-CA 3.42Å; M179-M217 PolarHBondContact N-O 2.92Å; M179-M217 PolarHBondContact O-N 2.93Å; M179-K219 HydrophobicContact CE-CD 3.58Å; M179-K219 HydrophobicContact CE-CG 4.17Å |
| 180 | F | 96 | Very high | 88.3 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 118.8 | -173.7 | -53 | -95.3 | 0 | 0 | 0 | 109.5 | S154 K155 P157 W159 S167 L169 L178 L215 T216 Y353 | S154-F180 WeakPolarHBondContact CA-O 3.42Å; K155-F180 PolarHBondContact N-O 2.96Å; P157-F180 HydrophobicContact CB-CD1 4.49Å; P157-F180 HydrophobicContact CB-CD2 4.45Å; P157-F180 HydrophobicContact CB-CE1 4.02Å; P157-F180 HydrophobicContact CB-CE2 4.02Å; P157-F180 HydrophobicContact CB-CZ 3.78Å; P157-F180 HydrophobicContact CG-CD2 4.13Å; P157-F180 HydrophobicContact CG-CE2 3.69Å; P157-F180 HydrophobicContact CG-CZ 3.95Å; W159-F180 HydrophobicContact CH2-CB 4.2Å; W159-F180 HydrophobicContact CH2-CD1 4.15Å; W159-F180 HydrophobicContact CZ2-CD1 4.1Å; W159-F180 HydrophobicContact CZ3-CB 4.18Å; S167-F180 PolarHBondContact O-N 2.91Å; L169-F180 HydrophobicContact CD1-CE2 4.3Å; L169-F180 HydrophobicContact CD1-CZ 4.27Å; L169-F180 HydrophobicContact CG-CE2 4.18Å; L178-F180 HydrophobicContact CB-CE2 4.19Å; L178-F180 HydrophobicContact CB-CZ 4.21Å; F180-L215 WeakPolarHBondContact CA-O 3.33Å; F180-T216 HydrophobicContact CD1-CG2 3.92Å; F180-T216 HydrophobicContact CE1-CG2 3.55Å; F180-T216 HydrophobicContact CZ-CG2 4.16Å; F180-Y353 HydrophobicContact CE1-CD1 4.26Å; F180-Y353 HydrophobicContact CE1-CG 4.33Å; F180-Y353 HydrophobicContact CZ-CG 4.16Å |
| 181 | K | 95.3 | Very high | 88.7 | Confident | 32 Ų | 32 | 41.6 Ų | 41.6 | 14% | 0.139 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138 | 177.6 | -64.8 | -170.4 | 173.1 | -166.1 | 0 | 110.9 | D123 L153 W159 L215 | D123-K181 WeakPolarHBondContact O-CE 3.36Å; D123-K181 PolarHBondContact O-NZ 3.48Å; D123-K181 IonicContact OD1-NZ 3.62Å; L153-K181 CarbonylContact O-C 3.59Å; L153-K181 WeakPolarHBondContact O-CA 3.36Å; W159-K181 WeakPolarHBondContact CZ3-O 3.3Å; K181-L215 HydrophobicContact CB-CB 4.27Å; K181-L215 HydrophobicContact CB-CD1 4.42Å; K181-L215 PolarHBondContact N-O 2.92Å; K181-L215 PolarHBondContact O-N 3.26Å |
| 182 | E | 97 | Very high | 89.2 | Confident | 16 Ų | 16 | 42 Ų | 42 | 8% | 0.075 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.7 | 170.4 | -169.4 | 166.7 | -109.5 | 0 | 0 | 108.7 | V152 L153 K155 V213 R214 | V152-E182 WeakPolarHBondContact CA-O 3.49Å; L153-E182 PolarHBondContact N-O 3.08Å; L153-E182 PolarHBondContact O-N 2.82Å; K155-E182 HydrophobicContact CD-CB 4.49Å; K155-E182 WeakPolarHBondContact CE-OE2 3.42Å; K155-E182 HydrophobicContact CG-CB 3.8Å; K155-E182 IonicContact NZ-OE2 2.72Å; K155-E182 PolarHBondContact NZ-OE2 2.69Å; E182-V213 CarbonylContact C-O 3.55Å; E182-V213 WeakPolarHBondContact CA-O 3.37Å; E182-R214 HydrophobicContact CG-CG 4.25Å; E182-R214 IonicContact OE1-CZ 3.74Å; E182-R214 IonicContact OE1-NE 3.17Å; E182-R214 PolarHBondContact OE1-NE 2.74Å; E182-R214 IonicContact OE1-NH2 3.12Å; E182-R214 PolarHBondContact OE1-NH2 2.9Å |
| 183 | V | 96.4 | Very high | 90 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 11% | 0.109 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.2 | 170.8 | -177.3 | 0 | 0 | 0 | 0 | 106.7 | F150 C151 V152 W185 R212 V213 L215 | F150-V183 HydrophobicContact CD2-CG1 4.17Å; F150-V183 HydrophobicContact CE1-CG1 4.49Å; F150-V183 HydrophobicContact CE2-CG1 3.35Å; F150-V183 HydrophobicContact CZ-CG1 3.55Å; C151-V183 CarbonylContact O-C 3.56Å; C151-V183 VanDerWaalsContact O-CA 3.23Å; C151-V183 WeakPolarHBondContact O-CA 3.38Å; V152-V183 HydrophobicContact CG1-CG2 4.23Å; V152-V183 HydrophobicContact CG2-CG1 4.19Å; V152-V183 HydrophobicContact CG2-CG2 4.14Å; V183-W185 HydrophobicContact CG1-CE3 4.5Å; V183-W185 HydrophobicContact CG1-CZ3 4.48Å; V183-R212 CarbonylContact O-C 3.53Å; V183-R212 WeakPolarHBondContact O-CA 3.22Å; V183-R212 WeakPolarHBondContact O-CB 3.24Å; V183-V213 HydrophobicContact CB-CB 4.27Å; V183-V213 PolarHBondContact N-O 3.44Å; V183-V213 PolarHBondContact O-N 2.92Å; V183-L215 HydrophobicContact CG2-CD1 4.26Å |
| 184 | S | 96.2 | Very high | 90.6 | Very high | 35 Ų | 35 | 36 Ų | 36 | 25% | 0.245 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 150.8 | -176.9 | 60 | 0 | 0 | 0 | 0 | 111.9 | F150 C151 | F150-S184 CarbonylContact C-O 3.55Å; F150-S184 WeakPolarHBondContact CA-O 3.38Å; C151-S184 PolarHBondContact N-O 3.46Å; C151-S184 PolarHBondContact O-N 3.4Å |
| 185 | W | 95.8 | Very high | 91.1 | Very high | 33 Ų | 33 | 35 Ų | 35 | 13% | 0.125 | 18% | 0.18 | C | C | . | . | trans | -146.6 | 154.3 | 175.4 | 60.2 | 92.7 | 0 | 0 | 0 | 110.8 | L147 S148 V183 A188 S211 V213 L247 L249 | L147-W185 HydrophobicContact CB-CB 4.47Å; L147-W185 HydrophobicContact CD2-CG 4.43Å; S148-W185 WeakPolarHBondContact O-CB 3.42Å; V183-W185 HydrophobicContact CG1-CE3 4.5Å; V183-W185 HydrophobicContact CG1-CZ3 4.48Å; W185-A188 VanDerWaalsContact NE1-CB 3.32Å; W185-S211 PolarHBondContact N-O 2.7Å; W185-S211 PolarHBondContact O-N 3.35Å; W185-V213 HydrophobicContact CH2-CG2 4.03Å; W185-V213 HydrophobicContact CZ3-CG2 4.02Å; W185-L247 HydrophobicContact CH2-CD1 3.76Å; W185-L247 HydrophobicContact CZ2-CD1 4.35Å; W185-L249 HydrophobicContact CZ2-CD2 4.47Å | ||
| 186 | E | 93.6 | Very high | 91 | Very high | 116 Ų | 116 | 35.9 Ų | 35.9 | 54% | 0.542 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -81.4 | -40.3 | -176.1 | -80.3 | 176.7 | -171.4 | 0 | 0 | 112.7 | S148 R149 N209 Q210 | S148-E186 PolarHBondContact O-N 3.36Å; R149-E186 HydrophobicContact CB-CB 4.27Å; R149-E186 HydrophobicContact CB-CG 3.91Å; R149-E186 HydrophobicContact CG-CB 4.4Å; R149-E186 HydrophobicContact CG-CG 4.07Å; R149-E186 WeakPolarHBondContact CG-OE2 3.32Å; E186-N209 CarbonylContact O-C 3.54Å; E186-N209 WeakPolarHBondContact O-CA 3.37Å; E186-Q210 PolarHBondContact O-N 3.45Å |
| 187 | S | 92 | Very high | 90.2 | Very high | 24 Ų | 24 | 41.4 Ų | 41.4 | 17% | 0.168 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 141 | 177.1 | -165.2 | 0 | 0 | 0 | 0 | 110.5 | L147 S148 N209 | L147-S187 WeakPolarHBondContact CA-O 3.35Å; S148-S187 PolarHBondContact N-O 2.85Å; S148-S187 WeakPolarHBondContact OG-CB 3.35Å; S148-S187 PolarHBondContact OG-N 3.49Å; S187-N209 WeakPolarHBondContact CB-OD1 3.43Å; S187-N209 PolarHBondContact OG-OD1 2.81Å |
| 188 | A | 92.5 | Very high | 89.3 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 129.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | E146 L147 W185 I207 T208 | E146-A188 CarbonylContact O-C 3.55Å; E146-A188 WeakPolarHBondContact O-CA 3.16Å; L147-A188 HydrophobicContact CD2-CB 3.51Å; W185-A188 VanDerWaalsContact NE1-CB 3.32Å; A188-I207 WeakPolarHBondContact O-CA 3.21Å; A188-T208 PolarHBondContact N-O 3.47Å; A188-T208 PolarHBondContact O-N 3Å |
| 189 | R | 91.9 | Very high | 88.1 | Confident | 130 Ų | 130 | 47.2 Ų | 47.2 | 49% | 0.491 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.7 | 171 | -64.2 | 170.2 | 174.9 | 169.4 | -6.2 | 108.3 | V145 E146 I207 | V145-R189 CarbonylContact C-O 3.57Å; V145-R189 VanDerWaalsContact CA-O 3.3Å; V145-R189 WeakPolarHBondContact CA-O 3.35Å; E146-R189 HydrophobicContact CB-CB 4.38Å; E146-R189 PolarHBondContact N-O 2.87Å; E146-R189 PolarHBondContact O-N 3.47Å; E146-R189 WeakPolarHBondContact OE2-CD 3.45Å; E146-R189 IonicContact OE2-CZ 2.8Å; E146-R189 IonicContact OE2-NH1 3.61Å; E146-R189 PolarHBondContact OE2-NH1 3.29Å; E146-R189 VanDerWaalsContact OE2-NH1 3.09Å; R189-I207 HydrophobicContact CG-CG1 4.33Å; R189-I207 HydrophobicContact CG-CG2 4.46Å |
| 190 | I | 91.9 | Very high | 87 | Confident | 65 Ų | 65 | 54.2 Ų | 54.2 | 33% | 0.333 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.5 | 179.6 | -63.4 | 167.1 | 0 | 0 | 0 | 106.8 | S144 V145 K205 L206 | S144-I190 WeakPolarHBondContact O-CA 3.2Å; V145-I190 HydrophobicContact CB-CG1 4.45Å; V145-I190 HydrophobicContact CG1-CG1 3.88Å; V145-I190 HydrophobicContact CG2-CG1 4.04Å; V145-I190 HydrophobicContact CG2-CG2 4.39Å; I190-K205 WeakPolarHBondContact O-CA 3.38Å; I190-L206 HydrophobicContact CB-CB 4.13Å; I190-L206 HydrophobicContact CB-CD2 4.13Å; I190-L206 HydrophobicContact CB-CG 4.02Å; I190-L206 HydrophobicContact CD1-CD2 3.61Å; I190-L206 HydrophobicContact CD1-CG 4.07Å; I190-L206 HydrophobicContact CG1-CD2 4.38Å; I190-L206 HydrophobicContact CG1-CG 4.44Å; I190-L206 HydrophobicContact CG2-CD2 4.48Å; I190-L206 PolarHBondContact N-O 3.01Å; I190-L206 PolarHBondContact O-N 2.86Å |
| 191 | V | 91.9 | Very high | 86 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 19% | 0.188 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138.4 | 177.1 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | G143 S144 D193 V204 K205 | G143-V191 CarbonylContact C-O 3.56Å; G143-V191 WeakPolarHBondContact CA-O 3.46Å; S144-V191 PolarHBondContact N-O 2.81Å; S144-V191 PolarHBondContact O-N 3.36Å; V191-D193 WeakPolarHBondContact CG1-OD1 3.38Å; V191-V204 CarbonylContact C-O 3.52Å; V191-V204 WeakPolarHBondContact CA-O 3.26Å; V191-K205 HydrophobicContact CG1-CG 4.09Å; V191-K205 HydrophobicContact CG2-CD 4.42Å; V191-K205 HydrophobicContact CG2-CG 4.15Å |
| 192 | A | 91.5 | Very high | 85.5 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 109.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109 | F141 P203 V204 F267 | F141-A192 HydrophobicContact CD2-CB 3.64Å; F141-A192 HydrophobicContact CE2-CB 4.03Å; F141-A192 HydrophobicContact CG-CB 4.36Å; A192-P203 CarbonylContact O-C 3.58Å; A192-P203 WeakPolarHBondContact O-CA 3.41Å; A192-V204 PolarHBondContact N-O 3.07Å; A192-V204 PolarHBondContact O-N 3.43Å; A192-F267 HydrophobicContact CB-CD2 3.87Å; A192-F267 HydrophobicContact CB-CE2 3.75Å; A192-F267 WeakPolarHBondContact O-CE2 3.23Å |
| 193 | D | 89.7 | Confident | 85 | Confident | 72 Ų | 72 | 56.8 Ų | 56.8 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.3 | -179.8 | -60.1 | -44.7 | 0 | 0 | 0 | 109.5 | F141 Q142 V191 L195 P203 | F141-D193 CarbonylContact C-O 3.59Å; F141-D193 VanDerWaalsContact CA-O 3.25Å; F141-D193 WeakPolarHBondContact CA-O 3.48Å; F141-D193 WeakPolarHBondContact CB-O 3.29Å; Q142-D193 PolarHBondContact N-O 2.94Å; Q142-D193 PolarHBondContact O-N 2.75Å; V191-D193 WeakPolarHBondContact CG1-OD1 3.38Å; D193-L195 PolarHBondContact O-N 3.04Å; D193-P203 VanDerWaalsContact OD1-CB 3.25Å; D193-P203 WeakPolarHBondContact OD1-CB 3.37Å |
| 194 | G | 84.7 | Confident | 84.5 | Confident | 11 Ų | 11 | 57.2 Ų | 57.2 | 11% | 0.113 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 128.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | G201 | G194-G201 WeakPolarHBondContact O-CA 3.44Å |
| 195 | L | 82.3 | Confident | 84.1 | Confident | 102 Ų | 102 | 61.5 Ų | 61.5 | 53% | 0.534 | 32% | 0.322 | S | S | . | . | trans | -94.4 | -13 | 173.9 | -64.1 | 176 | 0 | 0 | 0 | 112.7 | A140 Q142 D193 | A140-L195 PolarHBondContact O-N 3.16Å; Q142-L195 HydrophobicContact CB-CD1 4.21Å; Q142-L195 HydrophobicContact CB-CD2 4.31Å; Q142-L195 HydrophobicContact CB-CG 4.37Å; D193-L195 PolarHBondContact O-N 3.04Å | ||
| 196 | L | 75 | Confident | 83.6 | Confident | 37 Ų | 37 | 61.4 Ų | 61.4 | 19% | 0.194 | 32% | 0.324 | C | S | . | . | trans | -77.4 | 126.9 | 178.7 | -60 | 177.4 | 0 | 0 | 0 | 110.7 | A140 E198 L199 V266 | A140-L196 HydrophobicContact CB-CD1 3.8Å; A140-L196 HydrophobicContact CB-CG 4.07Å; L196-E198 PolarHBondContact O-N 3.01Å; L196-L199 HydrophobicContact CB-CB 4.45Å; L196-L199 HydrophobicContact CB-CD1 4.24Å; L196-L199 HydrophobicContact CB-CG 4.26Å; L196-L199 HydrophobicContact CD1-CD1 4.12Å; L196-L199 PolarHBondContact O-N 3.5Å; L196-L199 VanDerWaalsContact O-N 3.1Å; L196-V266 HydrophobicContact CD1-CG1 3.62Å | ||
| 197 | T | 68.8 | Low | 83.1 | Confident | 124 Ų | 124 | 60 Ų | 60 | 76% | 0.761 | 32% | 0.319 | S | S | * | . | G | 310 helix | trans | -57 | -33.6 | 176.2 | 46.7 | 0 | 0 | 0 | 0 | 112.7 | L199 H200 | T197-L199 VanDerWaalsContact C-N 3.32Å; T197-L199 PolarHBondContact O-N 3.06Å; T197-H200 PolarHBondContact O-N 2.92Å; T197-H200 VanDerWaalsContact O-N 3.16Å; T197-H200 PolarHBondContact O-ND1 3.19Å |
| 198 | E | 68.3 | Low | 82.8 | Confident | 116 Ų | 116 | 59.3 Ų | 59.3 | 54% | 0.542 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -67.8 | -29.2 | 179.8 | -47.6 | 175.2 | 160.5 | 0 | 0 | 112.5 | L196 H200 F613 | L196-E198 PolarHBondContact O-N 3.01Å; E198-H200 VanDerWaalsContact C-N 3.29Å; E198-F613 HydrophobicContact CB-CD1 4.11Å; E198-F613 HydrophobicContact CB-CE1 3.63Å |
| 199 | L | 68 | Low | 82.3 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -86.6 | 2.6 | 174.9 | -67.5 | 176.4 | 0 | 0 | 0 | 112.8 | L196 T197 G201 T202 A263 V266 F267 F613 | L196-L199 HydrophobicContact CB-CB 4.45Å; L196-L199 HydrophobicContact CB-CD1 4.24Å; L196-L199 HydrophobicContact CB-CG 4.26Å; L196-L199 HydrophobicContact CD1-CD1 4.12Å; L196-L199 PolarHBondContact O-N 3.5Å; L196-L199 VanDerWaalsContact O-N 3.1Å; T197-L199 VanDerWaalsContact C-N 3.32Å; T197-L199 PolarHBondContact O-N 3.06Å; L199-G201 PolarHBondContact O-N 2.87Å; L199-T202 WeakPolarHBondContact O-CB 3.3Å; L199-T202 PolarHBondContact O-N 3.29Å; L199-T202 PolarHBondContact O-OG1 2.89Å; L199-A263 HydrophobicContact CD1-CB 4.23Å; L199-A263 HydrophobicContact CD2-CB 4.3Å; L199-V266 HydrophobicContact CD1-CB 4.18Å; L199-V266 HydrophobicContact CD1-CG1 3.97Å; L199-V266 HydrophobicContact CD2-CG2 4.42Å; L199-F267 HydrophobicContact CD1-CD1 4.24Å; L199-F267 HydrophobicContact CD1-CE1 3.57Å; L199-F267 HydrophobicContact CD1-CZ 4.35Å; L199-F613 HydrophobicContact CD2-CE1 4Å; L199-F613 HydrophobicContact CD2-CZ 3.91Å |
| 200 | H | 68.6 | Low | 82.1 | Confident | 153 Ų | 153 | 63.3 Ų | 63.3 | 71% | 0.708 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 25 | -177.3 | -58.9 | -52.1 | 0 | 0 | 0 | 115.2 | T197 E198 T202 | T197-H200 PolarHBondContact O-N 2.92Å; T197-H200 VanDerWaalsContact O-N 3.16Å; T197-H200 PolarHBondContact O-ND1 3.19Å; E198-H200 VanDerWaalsContact C-N 3.29Å; H200-T202 VanDerWaalsContact C-N 3.32Å |
| 201 | G | 74.2 | Confident | 82.1 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 38% | 0.381 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74 | 17.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G194 L199 P203 | G194-G201 WeakPolarHBondContact O-CA 3.44Å; L199-G201 PolarHBondContact O-N 2.87Å; G201-P203 WeakPolarHBondContact O-CD 3.29Å |
| 202 | T | 84.1 | Confident | 82.3 | Confident | 24 Ų | 24 | 62 Ų | 62 | 15% | 0.147 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -56 | 122.8 | -177.4 | -59.4 | 0 | 0 | 0 | 0 | 111.6 | L199 H200 Q260 A263 | L199-T202 WeakPolarHBondContact O-CB 3.3Å; L199-T202 PolarHBondContact O-N 3.29Å; L199-T202 PolarHBondContact O-OG1 2.89Å; H200-T202 VanDerWaalsContact C-N 3.32Å; T202-Q260 HydrophobicContact CG2-CG 3.86Å; T202-A263 HydrophobicContact CG2-CB 4.36Å |
| 203 | P | 86.7 | Confident | 82.6 | Confident | 43 Ų | 43 | 62.5 Ų | 62.5 | 28% | 0.279 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 137.6 | -179.1 | 35.9 | -34.2 | 0 | 0 | 0 | 112.2 | A192 D193 G201 Q260 | A192-P203 CarbonylContact O-C 3.58Å; A192-P203 WeakPolarHBondContact O-CA 3.41Å; D193-P203 VanDerWaalsContact OD1-CB 3.25Å; D193-P203 WeakPolarHBondContact OD1-CB 3.37Å; G201-P203 WeakPolarHBondContact O-CD 3.29Å; P203-Q260 PolarHBondContact O-NE2 2.8Å; P203-Q260 VanDerWaalsContact O-NE2 3.07Å |
| 204 | V | 86.7 | Confident | 82.9 | Confident | 26 Ų | 26 | 62 Ų | 62 | 16% | 0.158 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.1 | 171.4 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | V191 A192 A263 A264 F267 | V191-V204 CarbonylContact C-O 3.52Å; V191-V204 WeakPolarHBondContact CA-O 3.26Å; A192-V204 PolarHBondContact N-O 3.07Å; A192-V204 PolarHBondContact O-N 3.43Å; V204-A263 HydrophobicContact CG2-CB 3.88Å; V204-A264 HydrophobicContact CG1-CB 4.43Å; V204-A264 HydrophobicContact CG2-CB 4.19Å; V204-F267 HydrophobicContact CB-CE2 4.2Å; V204-F267 HydrophobicContact CG2-CD2 4.17Å; V204-F267 HydrophobicContact CG2-CE2 3.73Å |
| 205 | K | 87.8 | Confident | 83.4 | Confident | 125 Ų | 125 | 63.1 Ų | 63.1 | 54% | 0.543 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 138.6 | -174.2 | -62.7 | -172 | 177.3 | 176.2 | 0 | 111.7 | I190 V191 | I190-K205 WeakPolarHBondContact O-CA 3.38Å; V191-K205 HydrophobicContact CG1-CG 4.09Å; V191-K205 HydrophobicContact CG2-CD 4.42Å; V191-K205 HydrophobicContact CG2-CG 4.15Å |
| 206 | L | 85.7 | Confident | 84 | Confident | 31 Ų | 31 | 58.7 Ų | 58.7 | 16% | 0.162 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 133.9 | -179.3 | 147.8 | 54.8 | 0 | 0 | 0 | 109 | I190 T208 I252 W254 | I190-L206 HydrophobicContact CB-CB 4.13Å; I190-L206 HydrophobicContact CB-CD2 4.13Å; I190-L206 HydrophobicContact CB-CG 4.02Å; I190-L206 HydrophobicContact CD1-CD2 3.61Å; I190-L206 HydrophobicContact CD1-CG 4.07Å; I190-L206 HydrophobicContact CG1-CD2 4.38Å; I190-L206 HydrophobicContact CG1-CG 4.44Å; I190-L206 HydrophobicContact CG2-CD2 4.48Å; I190-L206 PolarHBondContact N-O 3.01Å; I190-L206 PolarHBondContact O-N 2.86Å; L206-T208 HydrophobicContact CD1-CG2 3.45Å; L206-T208 VanDerWaalsContact CD1-CG2 3.45Å; L206-I252 HydrophobicContact CD1-CG2 4.38Å; L206-W254 HydrophobicContact CD2-CZ2 3.78Å |
| 207 | I | 82.6 | Confident | 84.8 | Confident | 88 Ų | 88 | 58.9 Ų | 58.9 | 45% | 0.451 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 129 | 170.6 | -53.6 | 179.7 | 0 | 0 | 0 | 108.5 | A188 R189 | A188-I207 WeakPolarHBondContact O-CA 3.21Å; R189-I207 HydrophobicContact CG-CG1 4.33Å; R189-I207 HydrophobicContact CG-CG2 4.46Å |
| 208 | T | 85 | Confident | 85.8 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 155.1 | 165 | 83.2 | 0 | 0 | 0 | 0 | 109.5 | A188 L206 S211 I252 | A188-T208 PolarHBondContact N-O 3.47Å; A188-T208 PolarHBondContact O-N 3Å; L206-T208 HydrophobicContact CD1-CG2 3.45Å; L206-T208 VanDerWaalsContact CD1-CG2 3.45Å; T208-S211 PolarHBondContact OG1-OG 2.73Å; T208-I252 HydrophobicContact CG2-CG1 4Å |
| 209 | N | 83.4 | Confident | 86.7 | Confident | 77 Ų | 77 | 49.9 Ų | 49.9 | 41% | 0.412 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 164.4 | 176.2 | -62 | -47.6 | 0 | 0 | 0 | 111.1 | E186 S187 S211 | E186-N209 CarbonylContact O-C 3.54Å; E186-N209 WeakPolarHBondContact O-CA 3.37Å; S187-N209 WeakPolarHBondContact CB-OD1 3.43Å; S187-N209 PolarHBondContact OG-OD1 2.81Å; N209-S211 PolarHBondContact O-N 3.49Å; N209-S211 PolarHBondContact O-OG 2.94Å |
| 210 | Q | 86.9 | Confident | 87.2 | Confident | 141 Ų | 141 | 53.9 Ų | 53.9 | 66% | 0.659 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 49.8 | 32.1 | 171.1 | -58.9 | -172.6 | -2.9 | 0 | 0 | 115.4 | E186 | E186-Q210 PolarHBondContact O-N 3.45Š|
| 211 | S | 92.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | trans | -91.1 | 150.5 | -167.6 | -64.1 | 0 | 0 | 0 | 0 | 112.2 | W185 T208 N209 L249 | W185-S211 PolarHBondContact N-O 2.7Å; W185-S211 PolarHBondContact O-N 3.35Å; T208-S211 PolarHBondContact OG1-OG 2.73Å; N209-S211 PolarHBondContact O-N 3.49Å; N209-S211 PolarHBondContact O-OG 2.94Å; S211-L249 VanDerWaalsContact CB-CD2 3.5Å; S211-L249 VanDerWaalsContact OG-CD2 3.22Å; S211-L249 WeakPolarHBondContact OG-CD2 3.35Å | ||
| 212 | R | 95.9 | Very high | 87.3 | Confident | 67 Ų | 67 | 47.1 Ų | 47.1 | 25% | 0.253 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 151.7 | -175.4 | 64.3 | -167.4 | 176.4 | -76.1 | 1.7 | 113.7 | V183 I248 D250 | V183-R212 CarbonylContact O-C 3.53Å; V183-R212 WeakPolarHBondContact O-CA 3.22Å; V183-R212 WeakPolarHBondContact O-CB 3.24Å; R212-I248 HydrophobicContact CG-CB 4.01Å; R212-I248 HydrophobicContact CG-CD1 4.43Å; R212-I248 PolarHBondContact N-O 3.36Å; R212-I248 PolarHBondContact O-N 3.12Å; R212-D250 IonicContact NH1-OD1 3.68Å; R212-D250 PolarHBondContact NH1-OD1 3.28Å; R212-D250 IonicContact NH1-OD2 2.7Å |
| 213 | V | 96.8 | Very high | 85.6 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 15% | 0.145 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.8 | 172 | 178.7 | 0 | 0 | 0 | 0 | 109.8 | E182 V183 W185 L215 I245 R246 L247 | E182-V213 CarbonylContact C-O 3.55Å; E182-V213 WeakPolarHBondContact CA-O 3.37Å; V183-V213 HydrophobicContact CB-CB 4.27Å; V183-V213 PolarHBondContact N-O 3.44Å; V183-V213 PolarHBondContact O-N 2.92Å; W185-V213 HydrophobicContact CH2-CG2 4.03Å; W185-V213 HydrophobicContact CZ3-CG2 4.02Å; V213-L215 HydrophobicContact CG1-CD2 3.71Å; V213-L215 HydrophobicContact CG1-CG 4.1Å; V213-I245 HydrophobicContact CG1-CG2 3.73Å; V213-R246 CarbonylContact C-O 3.51Å; V213-R246 VanDerWaalsContact CA-O 3.31Å; V213-R246 WeakPolarHBondContact CA-O 3.25Å; V213-L247 HydrophobicContact CG2-CB 4.26Å; V213-L247 HydrophobicContact CG2-CD1 3.49Å; V213-L247 VanDerWaalsContact CG2-CD1 3.49Å; V213-L247 HydrophobicContact CG2-CG 4.45Å |
| 214 | R | 96.8 | Very high | 83.3 | Confident | 60 Ų | 60 | 52.7 Ų | 52.7 | 23% | 0.226 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 125.5 | 172.9 | -73.9 | 178.3 | 172.9 | -176 | -0.7 | 110.1 | W159 E182 R246 | W159-R214 VanDerWaalsContact CB-CZ 3.48Å; W159-R214 HydrophobicContact CD2-CB 4.38Å; W159-R214 HydrophobicContact CD2-CG 3.98Å; W159-R214 HydrophobicContact CE3-CB 4.03Å; W159-R214 HydrophobicContact CE3-CG 3.62Å; W159-R214 HydrophobicContact CH2-CB 3.61Å; W159-R214 HydrophobicContact CH2-CG 4.17Å; W159-R214 HydrophobicContact CZ2-CB 3.96Å; W159-R214 HydrophobicContact CZ2-CG 4.47Å; W159-R214 HydrophobicContact CZ3-CB 3.64Å; W159-R214 HydrophobicContact CZ3-CG 3.73Å; E182-R214 HydrophobicContact CG-CG 4.25Å; E182-R214 IonicContact OE1-CZ 3.74Å; E182-R214 IonicContact OE1-NE 3.17Å; E182-R214 PolarHBondContact OE1-NE 2.74Å; E182-R214 IonicContact OE1-NH2 3.12Å; E182-R214 PolarHBondContact OE1-NH2 2.9Å; R214-R246 HydrophobicContact CB-CB 4.29Å; R214-R246 PolarHBondContact N-O 2.73Å; R214-R246 PolarHBondContact O-N 3.19Å |
| 215 | L | 95.4 | Very high | 81 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 19% | 0.188 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 117.5 | -176.4 | -57.7 | 173.3 | 0 | 0 | 0 | 109.3 | F180 K181 V183 V213 M217 R244 I245 | F180-L215 WeakPolarHBondContact CA-O 3.33Å; K181-L215 HydrophobicContact CB-CB 4.27Å; K181-L215 HydrophobicContact CB-CD1 4.42Å; K181-L215 PolarHBondContact N-O 2.92Å; K181-L215 PolarHBondContact O-N 3.26Å; V183-L215 HydrophobicContact CG2-CD1 4.26Å; V213-L215 HydrophobicContact CG1-CD2 3.71Å; V213-L215 HydrophobicContact CG1-CG 4.1Å; L215-M217 HydrophobicContact CB-CG 4.4Å; L215-R244 WeakPolarHBondContact CA-O 3.4Å; L215-I245 HydrophobicContact CD2-CB 4.07Å; L215-I245 HydrophobicContact CD2-CD1 3.88Å; L215-I245 HydrophobicContact CD2-CG1 3.64Å; L215-I245 HydrophobicContact CD2-CG2 3.79Å |
| 216 | T | 95 | Very high | 78.4 | Confident | 9 Ų | 9 | 59.6 Ų | 59.6 | 6% | 0.055 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 117.5 | 163.8 | -52.4 | 0 | 0 | 0 | 0 | 108.1 | L178 M179 F180 S243 R244 V355 | L178-T216 HydrophobicContact CD2-CG2 4.38Å; M179-T216 WeakPolarHBondContact O-CA 3.42Å; F180-T216 HydrophobicContact CD1-CG2 3.92Å; F180-T216 HydrophobicContact CE1-CG2 3.55Å; F180-T216 HydrophobicContact CZ-CG2 4.16Å; T216-S243 CarbonylContact O-C 3.58Å; T216-S243 WeakPolarHBondContact O-CA 3.46Å; T216-R244 PolarHBondContact N-O 2.98Å; T216-R244 PolarHBondContact O-N 3.49Å; T216-V355 HydrophobicContact CG2-CG2 3.56Å |
| 217 | M | 91.6 | Very high | 76.2 | Confident | 41 Ų | 41 | 62.9 Ų | 62.9 | 20% | 0.202 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.7 | -173.5 | -58 | 177.7 | 80.8 | 0 | 0 | 110 | L178 M179 L215 L240 | L178-M217 WeakPolarHBondContact CA-O 3.4Å; M179-M217 PolarHBondContact N-O 2.92Å; M179-M217 PolarHBondContact O-N 2.93Å; L215-M217 HydrophobicContact CB-CG 4.4Å; M217-L240 HydrophobicContact CB-CD1 3.94Å; M217-L240 HydrophobicContact CE-CD1 3.98Å; M217-L240 HydrophobicContact CE-CD2 4.39Å; M217-L240 HydrophobicContact CG-CD1 4.48Å |
| 218 | K | 89.8 | Confident | 74.4 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 12% | 0.122 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 107.2 | 171.5 | -170.5 | 178.5 | -172.6 | 162.6 | 0 | 108.6 | I177 L178 I241 S242 D354 V355 | I177-K218 CarbonylContact O-C 3.54Å; I177-K218 WeakPolarHBondContact O-CA 3.15Å; L178-K218 HydrophobicContact CD2-CB 3.81Å; L178-K218 HydrophobicContact CD2-CG 4.03Å; K218-I241 HydrophobicContact CB-CB 4.44Å; K218-I241 HydrophobicContact CD-CB 4.43Å; K218-I241 HydrophobicContact CD-CG2 4.32Å; K218-I241 HydrophobicContact CG-CB 4.24Å; K218-I241 HydrophobicContact CG-CD1 4.31Å; K218-I241 WeakPolarHBondContact O-CA 3.4Å; K218-I241 WeakPolarHBondContact O-CB 3.35Å; K218-I241 PolarHBondContact O-N 2.84Å; K218-S242 WeakPolarHBondContact CB-OG 3.47Å; K218-S242 PolarHBondContact N-O 3.3Å; K218-S242 PolarHBondContact O-N 3.17Å; K218-D354 VanDerWaalsContact CD-OD1 3.3Å; K218-D354 WeakPolarHBondContact CD-OD1 3.5Å; K218-D354 WeakPolarHBondContact CE-OD1 3.42Å; K218-D354 IonicContact NZ-OD1 3.33Å; K218-D354 PolarHBondContact NZ-OD1 2.79Å; K218-D354 IonicContact NZ-OD2 3.11Å; K218-D354 PolarHBondContact NZ-OD2 3.26Å; K218-V355 HydrophobicContact CB-CB 4.34Å; K218-V355 WeakPolarHBondContact CD-O 3.19Å |
| 219 | K | 85.7 | Confident | 72.5 | Confident | 22 Ų | 22 | 74.2 Ų | 74.2 | 10% | 0.096 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 156.3 | 173.9 | -66.6 | -175.6 | -179.3 | 179.6 | 0 | 111 | D123 I177 M179 S239 L240 | D123-K219 IonicContact OD1-NZ 3.74Å; D123-K219 PolarHBondContact OD1-NZ 3.15Å; D123-K219 IonicContact OD2-NZ 2.81Å; D123-K219 PolarHBondContact OD2-NZ 2.91Å; I177-K219 HydrophobicContact CG2-CB 3.84Å; I177-K219 WeakPolarHBondContact CG2-O 3.26Å; I177-K219 PolarHBondContact N-O 3Å; I177-K219 PolarHBondContact O-N 3.3Å; M179-K219 HydrophobicContact CE-CD 3.58Å; M179-K219 HydrophobicContact CE-CG 4.17Å; K219-S239 CarbonylContact C-O 3.55Å; K219-S239 VanDerWaalsContact CA-O 3.29Å; K219-S239 WeakPolarHBondContact CA-O 3.34Å; K219-L240 HydrophobicContact CG-CD1 4.27Å |
| 220 | R | 80 | Confident | 70.5 | Confident | 91 Ų | 91 | 78 Ų | 78 | 34% | 0.343 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 138.9 | 174.5 | -164 | 171.9 | -150.4 | 160.1 | 16.5 | 112.1 | D175 V223 G238 S239 I241 | D175-R220 CarbonylContact O-C 3.56Å; D175-R220 WeakPolarHBondContact O-CA 3.21Å; D175-R220 WeakPolarHBondContact OD2-CG 3.24Å; D175-R220 IonicContact OD2-NE 3.46Å; D175-R220 PolarHBondContact OD2-NE 3.38Å; R220-V223 VanDerWaalsContact CZ-CB 3.46Å; R220-G238 WeakPolarHBondContact O-CA 3.36Å; R220-G238 PolarHBondContact O-N 3.01Å; R220-G238 VanDerWaalsContact O-N 3.12Å; R220-S239 PolarHBondContact N-O 3.19Å; R220-I241 HydrophobicContact CB-CD1 3.99Å; R220-I241 HydrophobicContact CB-CG1 4.11Å; R220-I241 HydrophobicContact CG-CD1 4.43Å |
| 221 | I | 74.4 | Confident | 68.3 | Low | 26 Ų | 26 | 79.6 Ų | 79.6 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | trans | -86.6 | -45.8 | -178.9 | -63.8 | 176.5 | 0 | 0 | 0 | 112.1 | Y115 D175 S176 I177 | Y115-I221 PolarHBondContact N-O 2.93Å; D175-I221 PolarHBondContact O-N 3.1Å; D175-I221 WeakPolarHBondContact OD1-CB 3.16Å; S176-I221 WeakPolarHBondContact O-CD1 3.43Å; I177-I221 HydrophobicContact CB-CD1 4.22Å; I177-I221 HydrophobicContact CB-CG1 4.09Å; I177-I221 HydrophobicContact CG2-CG1 4.03Å | ||
| 222 | S | 69.3 | Low | 65.4 | Low | 22 Ų | 22 | 86.8 Ų | 86.8 | 15% | 0.154 | 42% | 0.416 | C | S | . | . | trans | -177 | 121.3 | -176.3 | 55.1 | 0 | 0 | 0 | 0 | 115.8 | K114 D175 D237 | K114-S222 PolarHBondContact NZ-OG 3.46Å; D175-S222 VanDerWaalsContact CG-N 3.29Å; D175-S222 WeakPolarHBondContact OD1-CA 3.37Å; D175-S222 PolarHBondContact OD1-N 3.43Å; D175-S222 PolarHBondContact OD1-OG 3.41Å; D175-S222 VanDerWaalsContact OD1-OG 3.13Å; D175-S222 PolarHBondContact OD2-N 2.73Å; S222-D237 VanDerWaalsContact CA-OD1 3.29Å; S222-D237 WeakPolarHBondContact CA-OD1 3.4Å | ||
| 223 | V | 48.6 | Very low | 62.3 | Low | 48 Ų | 48 | 87.5 Ų | 87.5 | 29% | 0.291 | 43% | 0.429 | S | S | . | . | trans | -134.6 | 138.6 | 170.6 | 138.4 | 0 | 0 | 0 | 0 | 117.6 | R220 I225 D237 | R220-V223 VanDerWaalsContact CZ-CB 3.46Å; V223-I225 HydrophobicContact CG1-CG1 4.04Å; V223-I225 PolarHBondContact O-N 2.78Å; V223-D237 PolarHBondContact N-OD1 2.91Å | ||
| 224 | L | 38.2 | Very low | 59.4 | Low | 135 Ų | 135 | 91.1 Ų | 91.1 | 71% | 0.707 | 45% | 0.452 | S | S | * | . | trans | -69.1 | 109.2 | 163 | -84.6 | 156.4 | 0 | 0 | 0 | 110.6 | ||||
| 225 | I | 40.3 | Very low | 56.9 | Low | 107 Ų | 107 | 92.7 Ų | 92.7 | 55% | 0.549 | 46% | 0.461 | S | S | . | . | trans | -96.7 | 111.5 | 162.4 | -51.1 | -178.6 | 0 | 0 | 0 | 108.2 | V223 L227 | V223-I225 HydrophobicContact CG1-CG1 4.04Å; V223-I225 PolarHBondContact O-N 2.78Å; I225-L227 HydrophobicContact CG2-CD2 4.17Å; I225-L227 HydrophobicContact CG2-CG 3.84Å; I225-L227 PolarHBondContact O-N 2.93Å | ||
| 226 | F | 33.1 | Very low | 54.5 | Low | 190 Ų | 190 | 93.5 Ų | 93.5 | 83% | 0.833 | 47% | 0.467 | S | S | * | . | trans | -76.4 | 90.8 | 163.2 | -86.2 | -92.9 | 0 | 0 | 0 | 108.9 | ||||
| 227 | L | 37.9 | Very low | 52.7 | Low | 100 Ų | 100 | 93.1 Ų | 93.1 | 52% | 0.524 | 47% | 0.465 | S | S | . | . | trans | -87.3 | 113.9 | 161.8 | -73.1 | 178.3 | 0 | 0 | 0 | 108.3 | I225 Y229 F230 | I225-L227 HydrophobicContact CG2-CD2 4.17Å; I225-L227 HydrophobicContact CG2-CG 3.84Å; I225-L227 PolarHBondContact O-N 2.93Å; L227-Y229 PolarHBondContact O-N 3Å; L227-F230 PolarHBondContact O-N 3.22Å | ||
| 228 | P | 45.7 | Very low | 51.3 | Low | 117 Ų | 117 | 92.1 Ų | 92.1 | 76% | 0.76 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -6.2 | -171.2 | 24.2 | -33.5 | 0 | 0 | 0 | 115.2 | ||
| 229 | Y | 45.9 | Very low | 50.5 | Low | 216 Ų | 216 | 92.6 Ų | 92.6 | 85% | 0.847 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | 2.7 | -178.1 | -70.8 | -75.3 | 0 | 0 | 0 | 115.3 | L227 | L227-Y229 PolarHBondContact O-N 3Š|
| 230 | F | 40.5 | Very low | 50.1 | Low | 156 Ų | 156 | 94.3 Ų | 94.3 | 68% | 0.684 | 48% | 0.482 | S | S | * | . | trans | -114.8 | 113.1 | 173 | -87.3 | -87.8 | 0 | 0 | 0 | 110.9 | L227 H232 | L227-F230 PolarHBondContact O-N 3.22Å; F230-H232 PolarHBondContact O-N 3.25Å | ||
| 231 | L | 39.9 | Very low | 50.1 | Low | 175 Ų | 175 | 92 Ų | 92 | 92% | 0.916 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -70.9 | 10.4 | -177.5 | -124.2 | 79 | 0 | 0 | 0 | 114.9 | ||
| 232 | H | 33.4 | Very low | 50.7 | Low | 153 Ų | 153 | 90.9 Ų | 90.9 | 71% | 0.708 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -132.5 | 122.4 | 174.2 | -97.9 | -75 | 0 | 0 | 0 | 110.3 | F230 T234 | F230-H232 PolarHBondContact O-N 3.25Å; H232-T234 PolarHBondContact O-N 2.85Å |
| 233 | P | 30.8 | Very low | 51.7 | Low | 82 Ų | 82 | 90.5 Ų | 90.5 | 53% | 0.532 | 47% | 0.468 | S | S | . | . | trans | -69.2 | 103.4 | 170.4 | 28.1 | -32.6 | 0 | 0 | 0 | 109.5 | H235 | P233-H235 PolarHBondContact O-N 2.85Š| ||
| 234 | T | 36.1 | Very low | 53.8 | Low | 100 Ų | 100 | 92.1 Ų | 92.1 | 61% | 0.613 | 47% | 0.469 | S | S | * | . | trans | -73.9 | 96.7 | 172.2 | 49.3 | 0 | 0 | 0 | 0 | 109.6 | H232 V236 | H232-T234 PolarHBondContact O-N 2.85Å; T234-V236 PolarHBondContact O-N 3.25Å | ||
| 235 | H | 42.5 | Very low | 56.5 | Low | 93 Ų | 93 | 88.1 Ų | 88.1 | 43% | 0.431 | 45% | 0.447 | S | S | . | . | trans | -59.1 | 111 | 167 | -78.2 | -100.3 | 0 | 0 | 0 | 110.2 | S112 P233 | S112-H235 VanDerWaalsContact O-CB 3.31Å; S112-H235 WeakPolarHBondContact O-CB 3.44Å; P233-H235 PolarHBondContact O-N 2.85Å | ||
| 236 | V | 46.6 | Very low | 59.2 | Low | 52 Ų | 52 | 87.7 Ų | 87.7 | 32% | 0.315 | 44% | 0.439 | S | S | . | . | trans | -134 | 94.1 | 178 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | P104 T105 T234 | P104-V236 HydrophobicContact CB-CG1 3.81Å; P104-V236 HydrophobicContact CG-CG1 4.04Å; T105-V236 WeakPolarHBondContact OG1-CG1 3.08Å; T234-V236 PolarHBondContact O-N 3.25Å | ||
| 237 | D | 55.8 | Low | 62.2 | Low | 2 Ų | 2 | 81.2 Ų | 81.2 | 1% | 0.011 | 41% | 0.413 | C | S | . | . | trans | -116.4 | 147.3 | -166.1 | -53.8 | -36.7 | 0 | 0 | 0 | 111.1 | R109 K114 S222 V223 | R109-D237 PolarHBondContact NH1-O 3.11Å; K114-D237 WeakPolarHBondContact CA-OD2 3.29Å; K114-D237 PolarHBondContact N-OD2 3.13Å; S222-D237 VanDerWaalsContact CA-OD1 3.29Å; S222-D237 WeakPolarHBondContact CA-OD1 3.4Å; V223-D237 PolarHBondContact N-OD1 2.91Å | ||
| 238 | G | 63.4 | Low | 65 | Low | 20 Ų | 20 | 77.1 Ų | 77.1 | 21% | 0.206 | 39% | 0.391 | C | S | . | . | trans | 103.8 | 3.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | R220 | R220-G238 WeakPolarHBondContact O-CA 3.36Å; R220-G238 PolarHBondContact O-N 3.01Å; R220-G238 VanDerWaalsContact O-N 3.12Å | ||
| 239 | S | 73.2 | Confident | 67.2 | Low | 37 Ų | 37 | 72.3 Ų | 72.3 | 26% | 0.259 | 36% | 0.359 | S | S | . | . | trans | -64.7 | 147.4 | -178.4 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | K219 R220 I241 | K219-S239 CarbonylContact C-O 3.55Å; K219-S239 VanDerWaalsContact CA-O 3.29Å; K219-S239 WeakPolarHBondContact CA-O 3.34Å; R220-S239 PolarHBondContact N-O 3.19Å; S239-I241 PolarHBondContact O-N 2.87Å | ||
| 240 | L | 77.6 | Confident | 69.3 | Low | 58 Ų | 58 | 63.6 Ų | 63.6 | 30% | 0.304 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 120.1 | 172.9 | -172.9 | 65.9 | 0 | 0 | 0 | 109.7 | M217 K219 S242 | M217-L240 HydrophobicContact CB-CD1 3.94Å; M217-L240 HydrophobicContact CE-CD1 3.98Å; M217-L240 HydrophobicContact CE-CD2 4.39Å; M217-L240 HydrophobicContact CG-CD1 4.48Å; K219-L240 HydrophobicContact CG-CD1 4.27Å; L240-S242 WeakPolarHBondContact CD1-O 3.36Å |
| 241 | I | 79 | Confident | 71.6 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 22% | 0.215 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -50.2 | 174.5 | -59 | 177.6 | 0 | 0 | 0 | 108.9 | K218 R220 S239 K289 | K218-I241 HydrophobicContact CB-CB 4.44Å; K218-I241 HydrophobicContact CD-CB 4.43Å; K218-I241 HydrophobicContact CD-CG2 4.32Å; K218-I241 HydrophobicContact CG-CB 4.24Å; K218-I241 HydrophobicContact CG-CD1 4.31Å; K218-I241 WeakPolarHBondContact O-CA 3.4Å; K218-I241 WeakPolarHBondContact O-CB 3.35Å; K218-I241 PolarHBondContact O-N 2.84Å; R220-I241 HydrophobicContact CB-CD1 3.99Å; R220-I241 HydrophobicContact CB-CG1 4.11Å; R220-I241 HydrophobicContact CG-CD1 4.43Å; S239-I241 PolarHBondContact O-N 2.87Å; I241-K289 PolarHBondContact O-NZ 2.88Å |
| 242 | S | 85.9 | Confident | 74 | Confident | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 157.8 | -176 | 49.2 | 0 | 0 | 0 | 0 | 110.3 | K218 L240 V355 | K218-S242 WeakPolarHBondContact CB-OG 3.47Å; K218-S242 PolarHBondContact N-O 3.3Å; K218-S242 PolarHBondContact O-N 3.17Å; L240-S242 WeakPolarHBondContact CD1-O 3.36Å; S242-V355 PolarHBondContact OG-O 2.9Å |
| 243 | S | 90.5 | Very high | 76.6 | Confident | 14 Ų | 14 | 50 Ų | 50 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 137.6 | 177.6 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | T216 T358 S359 | T216-S243 CarbonylContact O-C 3.58Å; T216-S243 WeakPolarHBondContact O-CA 3.46Å; S243-T358 PolarHBondContact N-OG1 3.45Å; S243-T358 CarbonylContact O-C 3.58Å; S243-T358 VanDerWaalsContact O-CA 3.24Å; S243-T358 WeakPolarHBondContact O-CA 3.32Å; S243-S359 PolarHBondContact O-N 3.15Å |
| 244 | R | 93.6 | Very high | 79.3 | Confident | 83 Ų | 83 | 50.1 Ų | 50.1 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 117.2 | 167.2 | 179.7 | 177.3 | -66.4 | 148.6 | 1.1 | 108.2 | L215 T216 R246 V355 S359 | L215-R244 WeakPolarHBondContact CA-O 3.4Å; T216-R244 PolarHBondContact N-O 2.98Å; T216-R244 PolarHBondContact O-N 3.49Å; R244-R246 HydrophobicContact CG-CG 4.22Å; R244-V355 HydrophobicContact CB-CG1 4.2Å; R244-V355 HydrophobicContact CB-CG2 4.16Å; R244-S359 WeakPolarHBondContact CA-O 3.42Å |
| 245 | I | 95.6 | Very high | 81.6 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 26% | 0.256 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123.4 | 178.4 | -55.5 | -164.1 | 0 | 0 | 0 | 108.5 | V213 L215 S359 Y360 H361 | V213-I245 HydrophobicContact CG1-CG2 3.73Å; L215-I245 HydrophobicContact CD2-CB 4.07Å; L215-I245 HydrophobicContact CD2-CD1 3.88Å; L215-I245 HydrophobicContact CD2-CG1 3.64Å; L215-I245 HydrophobicContact CD2-CG2 3.79Å; I245-S359 PolarHBondContact N-O 2.83Å; I245-Y360 HydrophobicContact CB-CD1 4.03Å; I245-Y360 HydrophobicContact CD1-CD1 4.13Å; I245-Y360 HydrophobicContact CD1-CE1 3.89Å; I245-Y360 HydrophobicContact CG1-CD1 4.24Å; I245-Y360 HydrophobicContact CG1-CE1 4.34Å; I245-Y360 CarbonylContact O-C 3.59Å; I245-Y360 WeakPolarHBondContact O-CA 3.31Å; I245-H361 PolarHBondContact O-CD2 2.77Å; I245-H361 PolarHBondContact O-N 2.82Å |
| 246 | R | 95.7 | Very high | 83.7 | Confident | 98 Ų | 98 | 45.6 Ų | 45.6 | 37% | 0.37 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 103.7 | 176.7 | -51.6 | -176.2 | 67.3 | 164.8 | -0.3 | 110.1 | V213 R214 R244 H361 | V213-R246 CarbonylContact C-O 3.51Å; V213-R246 VanDerWaalsContact CA-O 3.31Å; V213-R246 WeakPolarHBondContact CA-O 3.25Å; R214-R246 HydrophobicContact CB-CB 4.29Å; R214-R246 PolarHBondContact N-O 2.73Å; R214-R246 PolarHBondContact O-N 3.19Å; R244-R246 HydrophobicContact CG-CG 4.22Å; R246-H361 CarbonylContact C-O 3.53Å; R246-H361 WeakPolarHBondContact CA-O 3.34Å; R246-H361 HydrophobicContact CB-CB 4.26Å; R246-H361 HydrophobicContact CG-CB 3.98Å |
| 247 | L | 96.2 | Very high | 85.6 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 129.8 | 168.5 | 177.2 | 58.2 | 0 | 0 | 0 | 109 | W185 V213 L249 H361 L362 I363 | W185-L247 HydrophobicContact CH2-CD1 3.76Å; W185-L247 HydrophobicContact CZ2-CD1 4.35Å; V213-L247 HydrophobicContact CG2-CB 4.26Å; V213-L247 HydrophobicContact CG2-CD1 3.49Å; V213-L247 VanDerWaalsContact CG2-CD1 3.49Å; V213-L247 HydrophobicContact CG2-CG 4.45Å; L247-L249 HydrophobicContact CD1-CD2 3.79Å; L247-L249 HydrophobicContact CD1-CG 4.33Å; L247-L249 HydrophobicContact CD2-CD1 4.49Å; L247-L249 HydrophobicContact CG-CD2 4.16Å; L247-L249 HydrophobicContact CG-CG 4.17Å; L247-H361 PolarHBondContact N-O 3.48Å; L247-L362 HydrophobicContact CB-CD1 4.09Å; L247-L362 HydrophobicContact CD2-CD1 3.84Å; L247-L362 HydrophobicContact CG-CD1 3.75Å; L247-L362 CarbonylContact O-C 3.58Å; L247-L362 WeakPolarHBondContact O-CA 3.43Å; L247-I363 PolarHBondContact O-N 2.84Å |
| 248 | I | 96 | Very high | 86.9 | Confident | 15 Ų | 15 | 45.2 Ų | 45.2 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 119.3 | 179.3 | -52.2 | 170.1 | 0 | 0 | 0 | 107.5 | R212 I363 | R212-I248 HydrophobicContact CG-CB 4.01Å; R212-I248 HydrophobicContact CG-CD1 4.43Å; R212-I248 PolarHBondContact N-O 3.36Å; R212-I248 PolarHBondContact O-N 3.12Å; I248-I363 WeakPolarHBondContact CA-O 3.39Å |
| 249 | L | 93.7 | Very high | 88 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 8% | 0.084 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 134.2 | 177.9 | -54.9 | 179.1 | 0 | 0 | 0 | 107.4 | W185 S211 L247 I252 L362 I363 V364 N365 | W185-L249 HydrophobicContact CZ2-CD2 4.47Å; S211-L249 VanDerWaalsContact CB-CD2 3.5Å; S211-L249 VanDerWaalsContact OG-CD2 3.22Å; S211-L249 WeakPolarHBondContact OG-CD2 3.35Å; L247-L249 HydrophobicContact CD1-CD2 3.79Å; L247-L249 HydrophobicContact CD1-CG 4.33Å; L247-L249 HydrophobicContact CD2-CD1 4.49Å; L247-L249 HydrophobicContact CG-CD2 4.16Å; L247-L249 HydrophobicContact CG-CG 4.17Å; L249-I252 HydrophobicContact CD1-CD1 3.69Å; L249-I252 HydrophobicContact CD1-CG1 4.13Å; L249-L362 HydrophobicContact CD1-CD1 3.94Å; L249-L362 HydrophobicContact CG-CD1 4.16Å; L249-I363 PolarHBondContact N-O 2.97Å; L249-V364 HydrophobicContact CB-CB 4.49Å; L249-V364 HydrophobicContact CB-CG1 4.19Å; L249-V364 HydrophobicContact CB-CG2 4.24Å; L249-V364 HydrophobicContact CD1-CG2 4.09Å; L249-V364 VanDerWaalsContact O-CA 3.3Å; L249-V364 WeakPolarHBondContact O-CA 3.06Å; L249-N365 PolarHBondContact O-N 2.91Å |
| 250 | D | 90 | Very high | 88.7 | Confident | 33 Ų | 33 | 45.6 Ų | 45.6 | 18% | 0.176 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -63.1 | 178.3 | -63.5 | -30.7 | 0 | 0 | 0 | 109.4 | R212 N365 R366 | R212-D250 IonicContact NH1-OD1 3.68Å; R212-D250 PolarHBondContact NH1-OD1 3.28Å; R212-D250 IonicContact NH1-OD2 2.7Å; D250-N365 WeakPolarHBondContact O-CB 3.49Å; D250-N365 PolarHBondContact O-N 2.9Å; D250-N365 PolarHBondContact OD1-ND2 3.05Å; D250-R366 PolarHBondContact O-N 3.26Å |
| 251 | D | 88.8 | Confident | 89.3 | Confident | 87 Ų | 87 | 43.7 Ų | 43.7 | 47% | 0.465 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140.2 | 175.8 | -66.1 | -59.3 | 0 | 0 | 0 | 113 | R366 | D251-R366 WeakPolarHBondContact CA-O 3.49Å; D251-R366 WeakPolarHBondContact OD1-CB 3.49Å; D251-R366 WeakPolarHBondContact OD1-CD 3.22Å |
| 252 | I | 90.1 | Very high | 89.6 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124.4 | 161.4 | -61.5 | 179.1 | 0 | 0 | 0 | 108.6 | L206 T208 L249 W254 V364 R366 T367 E368 | L206-I252 HydrophobicContact CD1-CG2 4.38Å; T208-I252 HydrophobicContact CG2-CG1 4Å; L249-I252 HydrophobicContact CD1-CD1 3.69Å; L249-I252 HydrophobicContact CD1-CG1 4.13Å; I252-W254 HydrophobicContact CG2-CD2 4.09Å; I252-W254 HydrophobicContact CG2-CG 3.99Å; I252-W254 HydrophobicContact CG2-CZ2 4.42Å; I252-W254 VanDerWaalsContact CG2-NE1 3.32Å; I252-V364 HydrophobicContact CB-CG1 4.29Å; I252-V364 HydrophobicContact CD1-CB 4.39Å; I252-V364 HydrophobicContact CD1-CG1 3.61Å; I252-V364 HydrophobicContact CD1-CG2 3.88Å; I252-V364 HydrophobicContact CG1-CG1 3.66Å; I252-R366 PolarHBondContact N-O 3.32Å; I252-T367 HydrophobicContact CB-CG2 4.13Å; I252-T367 HydrophobicContact CG2-CG2 4.17Å; I252-T367 CarbonylContact O-C 3.5Å; I252-T367 WeakPolarHBondContact O-CA 3.12Å; I252-E368 PolarHBondContact O-N 3.02Å |
| 253 | L | 86.9 | Confident | 89.7 | Confident | 93 Ų | 93 | 42.1 Ų | 42.1 | 49% | 0.487 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 113.2 | 169.7 | 174.3 | 65 | 0 | 0 | 0 | 109.3 | E368 | L253-E368 WeakPolarHBondContact CA-O 3.28Å; L253-E368 HydrophobicContact CD1-CB 3.86Å; L253-E368 HydrophobicContact CD1-CG 3.64Å |
| 254 | W | 87.1 | Confident | 89.6 | Confident | 85 Ų | 85 | 43 Ų | 43 | 32% | 0.322 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.8 | 173.1 | -66.4 | -9.8 | 0 | 0 | 0 | 110.4 | L206 I252 F256 E368 L369 H370 | L206-W254 HydrophobicContact CD2-CZ2 3.78Å; I252-W254 HydrophobicContact CG2-CD2 4.09Å; I252-W254 HydrophobicContact CG2-CG 3.99Å; I252-W254 HydrophobicContact CG2-CZ2 4.42Å; I252-W254 VanDerWaalsContact CG2-NE1 3.32Å; W254-F256 HydrophobicContact CB-CD2 4.39Å; W254-F256 HydrophobicContact CB-CE2 4Å; W254-F256 HydrophobicContact CB-CZ 4.32Å; W254-F256 HydrophobicContact CD2-CE2 4.28Å; W254-F256 HydrophobicContact CD2-CZ 4.07Å; W254-F256 AromaticContact CE3-CE2 3.53Å; W254-F256 HydrophobicContact CE3-CE2 3.53Å; W254-F256 AromaticContact CE3-CZ 3.38Å; W254-F256 HydrophobicContact CE3-CZ 3.38Å; W254-F256 HydrophobicContact CG-CZ 4.49Å; W254-F256 HydrophobicContact CZ3-CE2 4.34Å; W254-F256 AromaticContact CZ3-CZ 3.96Å; W254-F256 HydrophobicContact CZ3-CZ 3.96Å; W254-E368 PolarHBondContact N-O 2.79Å; W254-L369 HydrophobicContact CB-CD2 3.81Å; W254-L369 HydrophobicContact CD2-CD2 4.35Å; W254-L369 HydrophobicContact CE3-CD2 4.01Å; W254-L369 HydrophobicContact CG-CD2 4.3Å; W254-L369 CarbonylContact O-C 3.52Å; W254-L369 WeakPolarHBondContact O-CA 3.39Å; W254-H370 PolarHBondContact O-N 3.06Å |
| 255 | V | 85.6 | Confident | 89.3 | Confident | 72 Ų | 72 | 41.5 Ų | 41.5 | 44% | 0.436 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.6 | 167 | -177.3 | 0 | 0 | 0 | 0 | 106.7 | Q260 H370 | V255-Q260 PolarHBondContact O-OE1 2.84Å; V255-H370 HydrophobicContact CG1-CB 4.29Å; V255-H370 HydrophobicContact CG2-CB 4.26Å |
| 256 | F | 85.3 | Confident | 88.9 | Confident | 26 Ų | 26 | 39.7 Ų | 39.7 | 11% | 0.114 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 114.3 | -179.7 | -74.6 | -61.1 | 0 | 0 | 0 | 110 | W254 Q260 V261 A264 L369 H370 F371 C372 | W254-F256 HydrophobicContact CB-CD2 4.39Å; W254-F256 HydrophobicContact CB-CE2 4Å; W254-F256 HydrophobicContact CB-CZ 4.32Å; W254-F256 HydrophobicContact CD2-CE2 4.28Å; W254-F256 HydrophobicContact CD2-CZ 4.07Å; W254-F256 AromaticContact CE3-CE2 3.53Å; W254-F256 HydrophobicContact CE3-CE2 3.53Å; W254-F256 AromaticContact CE3-CZ 3.38Å; W254-F256 HydrophobicContact CE3-CZ 3.38Å; W254-F256 HydrophobicContact CG-CZ 4.49Å; W254-F256 HydrophobicContact CZ3-CE2 4.34Å; W254-F256 AromaticContact CZ3-CZ 3.96Å; W254-F256 HydrophobicContact CZ3-CZ 3.96Å; F256-Q260 HydrophobicContact CD1-CB 4.17Å; F256-V261 HydrophobicContact CB-CG2 3.67Å; F256-V261 HydrophobicContact CD1-CG2 4.25Å; F256-V261 HydrophobicContact CG-CG2 4.01Å; F256-A264 HydrophobicContact CE1-CB 4.45Å; F256-L369 HydrophobicContact CE2-CD2 4.48Å; F256-H370 PolarHBondContact N-O 2.85Å; F256-F371 HydrophobicContact CB-CD1 4.25Å; F256-F371 HydrophobicContact CD2-CD1 4.48Å; F256-F371 HydrophobicContact CD2-CE1 4.04Å; F256-F371 CarbonylContact O-C 3.49Å; F256-F371 WeakPolarHBondContact O-CA 3.28Å; F256-C372 PolarHBondContact O-N 3.43Å |
| 257 | T | 86.5 | Confident | 88.6 | Confident | 27 Ų | 27 | 35.6 Ų | 35.6 | 17% | 0.166 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 165.4 | 155.8 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | S259 Q260 V261 C372 E374 | T257-S259 PolarHBondContact O-N 3.35Å; T257-Q260 WeakPolarHBondContact O-CB 3.26Å; T257-Q260 PolarHBondContact O-N 2.84Å; T257-Q260 WeakPolarHBondContact OG1-CG 3.39Å; T257-Q260 PolarHBondContact OG1-N 3.29Å; T257-V261 PolarHBondContact O-N 2.83Å; T257-C372 WeakPolarHBondContact CA-O 3.36Å; T257-C372 HydrophobicContact CG2-CB 4.41Å; T257-E374 WeakPolarHBondContact CB-OE1 3.5Å; T257-E374 HydrophobicContact CG2-CG 4.05Å; T257-E374 WeakPolarHBondContact CG2-OE1 3.35Å; T257-E374 VanDerWaalsContact OG1-CD 3.23Å; T257-E374 PolarHBondContact OG1-OE1 2.74Å |
| 258 | L | 84.2 | Confident | 88.2 | Confident | 19 Ų | 19 | 36 Ų | 36 | 10% | 0.099 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -51.4 | -50.5 | 174.8 | -179.8 | 60.4 | 0 | 0 | 0 | 112.3 | Q260 V261 E262 C372 E374 F602 A605 L606 | L258-Q260 PolarHBondContact O-N 2.8Å; L258-V261 PolarHBondContact O-N 2.86Å; L258-E262 WeakPolarHBondContact CD1-OE1 3.23Å; L258-E262 WeakPolarHBondContact CG-OE1 3.38Å; L258-E262 WeakPolarHBondContact O-CG 3.46Å; L258-E262 PolarHBondContact O-N 3.01Å; L258-C372 PolarHBondContact N-O 2.9Å; L258-E374 HydrophobicContact CB-CB 4.48Å; L258-F602 HydrophobicContact CB-CE2 4.24Å; L258-F602 HydrophobicContact CD1-CE2 4.19Å; L258-F602 HydrophobicContact CD1-CZ 4.39Å; L258-A605 HydrophobicContact CD2-CB 3.94Å; L258-L606 HydrophobicContact CD1-CB 3.85Å; L258-L606 HydrophobicContact CD1-CD1 4.1Å |
| 259 | S | 85.6 | Confident | 87.7 | Confident | 29 Ų | 29 | 39.2 Ų | 39.2 | 20% | 0.203 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -30.6 | 176.9 | -58.8 | 0 | 0 | 0 | 0 | 113.1 | T257 A263 E374 | T257-S259 PolarHBondContact O-N 3.35Å; S259-A263 VanDerWaalsContact O-CB 3.26Å; S259-A263 WeakPolarHBondContact O-CB 3.47Å; S259-A263 PolarHBondContact O-N 2.9Å; S259-E374 WeakPolarHBondContact CB-OE2 3.31Å; S259-E374 PolarHBondContact N-OE2 3.14Å; S259-E374 PolarHBondContact OG-OE2 2.88Å |
| 260 | Q | 89.2 | Confident | 87.4 | Confident | 36 Ų | 36 | 39.2 Ų | 39.2 | 17% | 0.168 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.5 | -36 | 176.6 | -71.1 | 177.8 | -43.1 | 0 | 0 | 112.9 | T202 P203 V255 F256 T257 L258 A264 | T202-Q260 HydrophobicContact CG2-CG 3.86Å; P203-Q260 PolarHBondContact O-NE2 2.8Å; P203-Q260 VanDerWaalsContact O-NE2 3.07Å; V255-Q260 PolarHBondContact O-OE1 2.84Å; F256-Q260 HydrophobicContact CD1-CB 4.17Å; T257-Q260 WeakPolarHBondContact O-CB 3.26Å; T257-Q260 PolarHBondContact O-N 2.84Å; T257-Q260 WeakPolarHBondContact OG1-CG 3.39Å; T257-Q260 PolarHBondContact OG1-N 3.29Å; L258-Q260 PolarHBondContact O-N 2.8Å; Q260-A264 VanDerWaalsContact O-CB 3.28Å; Q260-A264 WeakPolarHBondContact O-CB 3.28Å; Q260-A264 PolarHBondContact O-N 2.77Å |
| 261 | V | 88.8 | Confident | 87.3 | Confident | 18 Ų | 18 | 38.7 Ų | 38.7 | 11% | 0.109 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 171.6 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | F256 T257 L258 A264 I265 F371 F602 L606 | F256-V261 HydrophobicContact CB-CG2 3.67Å; F256-V261 HydrophobicContact CD1-CG2 4.25Å; F256-V261 HydrophobicContact CG-CG2 4.01Å; T257-V261 PolarHBondContact O-N 2.83Å; L258-V261 PolarHBondContact O-N 2.86Å; V261-A264 PolarHBondContact O-N 2.78Å; V261-I265 HydrophobicContact CG1-CD1 3.8Å; V261-I265 VanDerWaalsContact O-CG1 3.31Å; V261-I265 WeakPolarHBondContact O-CG1 3.34Å; V261-I265 PolarHBondContact O-N 2.81Å; V261-F371 HydrophobicContact CG2-CD1 4.39Å; V261-F602 HydrophobicContact CG2-CZ 4.26Å; V261-L606 HydrophobicContact CB-CD1 4.18Å; V261-L606 HydrophobicContact CG1-CD1 3.76Å; V261-L606 HydrophobicContact CG1-CD2 3.92Å |
| 262 | E | 85.4 | Confident | 87.2 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.2 | -50.2 | 177 | -70.5 | 171.5 | -163.9 | 0 | 0 | 111.7 | L258 A264 I265 V266 L606 N609 L610 F613 | L258-E262 WeakPolarHBondContact CD1-OE1 3.23Å; L258-E262 WeakPolarHBondContact CG-OE1 3.38Å; L258-E262 WeakPolarHBondContact O-CG 3.46Å; L258-E262 PolarHBondContact O-N 3.01Å; E262-A264 PolarHBondContact O-N 3.3Å; E262-I265 PolarHBondContact O-N 3.2Å; E262-V266 WeakPolarHBondContact O-CG2 3.47Å; E262-V266 PolarHBondContact O-N 3.37Å; E262-L606 HydrophobicContact CG-CD1 3.66Å; E262-N609 HydrophobicContact CG-CB 4.47Å; E262-N609 WeakPolarHBondContact OE1-CB 3.16Å; E262-N609 PolarHBondContact OE1-ND2 3.09Å; E262-L610 HydrophobicContact CG-CD2 4.45Å; E262-F613 HydrophobicContact CB-CE2 4.5Å; E262-F613 WeakPolarHBondContact OE2-CE2 3.46Å |
| 263 | A | 87.9 | Confident | 87 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.2 | -47.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | L199 T202 V204 S259 I265 V266 F267 | L199-A263 HydrophobicContact CD1-CB 4.23Å; L199-A263 HydrophobicContact CD2-CB 4.3Å; T202-A263 HydrophobicContact CG2-CB 4.36Å; V204-A263 HydrophobicContact CG2-CB 3.88Å; S259-A263 VanDerWaalsContact O-CB 3.26Å; S259-A263 WeakPolarHBondContact O-CB 3.47Å; S259-A263 PolarHBondContact O-N 2.9Å; A263-I265 VanDerWaalsContact C-N 3.34Å; A263-I265 PolarHBondContact O-N 3.04Å; A263-V266 PolarHBondContact O-N 3Å; A263-F267 HydrophobicContact CB-CE1 4.33Å; A263-F267 HydrophobicContact CB-CE2 4.15Å; A263-F267 HydrophobicContact CB-CZ 3.91Å; A263-F267 WeakPolarHBondContact O-CB 3.45Å; A263-F267 WeakPolarHBondContact O-CD1 3.5Å; A263-F267 WeakPolarHBondContact O-CD2 3.4Å; A263-F267 WeakPolarHBondContact O-CG 3.5Å; A263-F267 PolarHBondContact O-N 2.86Å |
| 264 | A | 89.8 | Confident | 86.9 | Confident | 31 Ų | 31 | 36.4 Ų | 36.4 | 26% | 0.256 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59.9 | -41.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | V204 F256 Q260 V261 E262 F267 A268 | V204-A264 HydrophobicContact CG1-CB 4.43Å; V204-A264 HydrophobicContact CG2-CB 4.19Å; F256-A264 HydrophobicContact CE1-CB 4.45Å; Q260-A264 VanDerWaalsContact O-CB 3.28Å; Q260-A264 WeakPolarHBondContact O-CB 3.28Å; Q260-A264 PolarHBondContact O-N 2.77Å; V261-A264 PolarHBondContact O-N 2.78Å; E262-A264 PolarHBondContact O-N 3.3Å; A264-F267 PolarHBondContact O-N 3.07Å; A264-A268 WeakPolarHBondContact O-CB 3.49Å; A264-A268 PolarHBondContact O-N 3.45Å |
| 265 | I | 87.8 | Confident | 87 | Confident | 52 Ų | 52 | 35 Ų | 35 | 27% | 0.267 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68 | -41 | 177.2 | -69.9 | 168.9 | 0 | 0 | 0 | 111.3 | V261 E262 A263 R269 L606 L610 | V261-I265 HydrophobicContact CG1-CD1 3.8Å; V261-I265 VanDerWaalsContact O-CG1 3.31Å; V261-I265 WeakPolarHBondContact O-CG1 3.34Å; V261-I265 PolarHBondContact O-N 2.81Å; E262-I265 PolarHBondContact O-N 3.2Å; A263-I265 VanDerWaalsContact C-N 3.34Å; A263-I265 PolarHBondContact O-N 3.04Å; I265-R269 VanDerWaalsContact CG2-NH1 3.34Å; I265-R269 WeakPolarHBondContact O-CB 3.36Å; I265-R269 PolarHBondContact O-N 3.26Å; I265-L606 HydrophobicContact CD1-CD1 4.37Å; I265-L610 HydrophobicContact CB-CD2 4.02Å; I265-L610 HydrophobicContact CD1-CD1 3.71Å; I265-L610 HydrophobicContact CD1-CD2 4.35Å; I265-L610 HydrophobicContact CG2-CD1 4.24Å; I265-L610 HydrophobicContact CG2-CD2 3.64Å |
| 266 | V | 85.5 | Confident | 87 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.3 | -39 | 176.4 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | L196 L199 E262 A263 R269 S270 F613 | L196-V266 HydrophobicContact CD1-CG1 3.62Å; L199-V266 HydrophobicContact CD1-CB 4.18Å; L199-V266 HydrophobicContact CD1-CG1 3.97Å; L199-V266 HydrophobicContact CD2-CG2 4.42Å; E262-V266 WeakPolarHBondContact O-CG2 3.47Å; E262-V266 PolarHBondContact O-N 3.37Å; A263-V266 PolarHBondContact O-N 3Å; V266-R269 PolarHBondContact O-N 2.84Å; V266-S270 WeakPolarHBondContact O-CB 2.87Å; V266-S270 PolarHBondContact O-N 3.18Å; V266-F613 HydrophobicContact CG2-CB 4.44Å; V266-F613 HydrophobicContact CG2-CG 4.45Å |
| 267 | F | 89.7 | Confident | 87.1 | Confident | 11 Ų | 11 | 36.7 Ų | 36.7 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.4 | -47.9 | 175 | -62.9 | -10.4 | 0 | 0 | 0 | 111.2 | A140 F141 A192 L199 V204 A263 A264 R269 S270 L271 | A140-F267 HydrophobicContact CB-CD1 4.32Å; F141-F267 HydrophobicContact CB-CD1 3.78Å; F141-F267 HydrophobicContact CB-CD2 4.25Å; F141-F267 HydrophobicContact CB-CE1 3.66Å; F141-F267 HydrophobicContact CB-CE2 4.14Å; F141-F267 HydrophobicContact CB-CG 4.09Å; F141-F267 HydrophobicContact CB-CZ 3.86Å; F141-F267 HydrophobicContact CD1-CB 3.67Å; F141-F267 AromaticContact CD1-CD1 3.79Å; F141-F267 HydrophobicContact CD1-CD1 3.79Å; F141-F267 HydrophobicContact CD1-CD2 4.27Å; F141-F267 AromaticContact CD1-CG 3.64Å; F141-F267 HydrophobicContact CD1-CG 3.64Å; F141-F267 HydrophobicContact CE1-CB 3.76Å; F141-F267 HydrophobicContact CE1-CG 4.21Å; F141-F267 HydrophobicContact CG-CB 4.41Å; F141-F267 HydrophobicContact CG-CD1 4.07Å; F141-F267 HydrophobicContact CG-CD2 4.17Å; F141-F267 HydrophobicContact CG-CE1 4.42Å; F141-F267 AromaticContact CG-CG 3.95Å; F141-F267 HydrophobicContact CG-CG 3.95Å; A192-F267 HydrophobicContact CB-CD2 3.87Å; A192-F267 HydrophobicContact CB-CE2 3.75Å; A192-F267 WeakPolarHBondContact O-CE2 3.23Å; L199-F267 HydrophobicContact CD1-CD1 4.24Å; L199-F267 HydrophobicContact CD1-CE1 3.57Å; L199-F267 HydrophobicContact CD1-CZ 4.35Å; V204-F267 HydrophobicContact CB-CE2 4.2Å; V204-F267 HydrophobicContact CG2-CD2 4.17Å; V204-F267 HydrophobicContact CG2-CE2 3.73Å; A263-F267 HydrophobicContact CB-CE1 4.33Å; A263-F267 HydrophobicContact CB-CE2 4.15Å; A263-F267 HydrophobicContact CB-CZ 3.91Å; A263-F267 WeakPolarHBondContact O-CB 3.45Å; A263-F267 WeakPolarHBondContact O-CD1 3.5Å; A263-F267 WeakPolarHBondContact O-CD2 3.4Å; A263-F267 WeakPolarHBondContact O-CG 3.5Å; A263-F267 PolarHBondContact O-N 2.86Å; A264-F267 PolarHBondContact O-N 3.07Å; F267-R269 PolarHBondContact O-N 3.27Å; F267-S270 WeakPolarHBondContact O-CB 3.48Å; F267-S270 PolarHBondContact O-N 3.5Å; F267-S270 VanDerWaalsContact O-N 3.15Å; F267-S270 PolarHBondContact O-OG 2.8Å; F267-L271 PolarHBondContact O-N 2.91Å |
| 268 | A | 88.7 | Confident | 87.2 | Confident | 64 Ų | 64 | 35.5 Ų | 35.5 | 53% | 0.529 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.2 | -45.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | A264 S270 L271 E272 | A264-A268 WeakPolarHBondContact O-CB 3.49Å; A264-A268 PolarHBondContact O-N 3.45Å; A268-S270 VanDerWaalsContact C-N 3.34Å; A268-S270 PolarHBondContact O-N 2.82Å; A268-L271 PolarHBondContact O-N 3.27Å; A268-E272 PolarHBondContact O-N 3.32Å |
| 269 | R | 84.8 | Confident | 87.3 | Confident | 82 Ų | 82 | 37.7 Ų | 37.7 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.8 | -34.2 | 175.1 | -82.3 | -177.8 | 164.4 | 130.9 | -9.6 | 113.8 | I265 V266 F267 L271 E272 L614 L629 | I265-R269 VanDerWaalsContact CG2-NH1 3.34Å; I265-R269 WeakPolarHBondContact O-CB 3.36Å; I265-R269 PolarHBondContact O-N 3.26Å; V266-R269 PolarHBondContact O-N 2.84Å; F267-R269 PolarHBondContact O-N 3.27Å; R269-L271 PolarHBondContact O-N 2.9Å; R269-E272 VanDerWaalsContact O-CB 3.26Å; R269-E272 WeakPolarHBondContact O-CB 3.5Å; R269-E272 PolarHBondContact O-N 2.93Å; R269-E272 VanDerWaalsContact O-N 3.09Å; R269-L614 VanDerWaalsContact CD-CD2 3.5Å; R269-L629 HydrophobicContact CG-CD1 3.83Å |
| 270 | S | 86.8 | Confident | 87.2 | Confident | 16 Ų | 16 | 39.5 Ų | 39.5 | 11% | 0.112 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -22.8 | 177.4 | 78.2 | 0 | 0 | 0 | 0 | 113.5 | A140 V266 F267 A268 | A140-S270 VanDerWaalsContact CB-CB 3.46Å; V266-S270 WeakPolarHBondContact O-CB 2.87Å; V266-S270 PolarHBondContact O-N 3.18Å; F267-S270 WeakPolarHBondContact O-CB 3.48Å; F267-S270 PolarHBondContact O-N 3.5Å; F267-S270 VanDerWaalsContact O-N 3.15Å; F267-S270 PolarHBondContact O-OG 2.8Å; A268-S270 VanDerWaalsContact C-N 3.34Å; A268-S270 PolarHBondContact O-N 2.82Å |
| 271 | L | 89.9 | Confident | 86.9 | Confident | 22 Ų | 22 | 39.8 Ų | 39.8 | 12% | 0.115 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -95.8 | -11.8 | 176.5 | -56.1 | -178.3 | 0 | 0 | 0 | 113.4 | W55 A93 F136 A138 F141 F267 A268 R269 H273 S274 I275 | W55-L271 HydrophobicContact CH2-CD1 4.07Å; W55-L271 HydrophobicContact CZ3-CB 4.49Å; W55-L271 HydrophobicContact CZ3-CD1 4.1Å; W55-L271 HydrophobicContact CZ3-CD2 3.99Å; W55-L271 HydrophobicContact CZ3-CG 4.43Å; A93-L271 HydrophobicContact CB-CD2 3.78Å; F136-L271 HydrophobicContact CZ-CD1 4.47Å; A138-L271 HydrophobicContact CB-CD2 3.94Å; F141-L271 HydrophobicContact CE1-CD1 4.27Å; F141-L271 HydrophobicContact CE1-CD2 4.41Å; F141-L271 HydrophobicContact CE1-CG 4.31Å; F141-L271 HydrophobicContact CZ-CD1 4.18Å; F267-L271 PolarHBondContact O-N 2.91Å; A268-L271 PolarHBondContact O-N 3.27Å; R269-L271 PolarHBondContact O-N 2.9Å; L271-H273 PolarHBondContact O-N 2.89Å; L271-S274 PolarHBondContact O-N 2.64Å; L271-I275 HydrophobicContact CB-CD1 3.68Å; L271-I275 HydrophobicContact CB-CG1 4.36Å; L271-I275 WeakPolarHBondContact O-CB 3.37Å; L271-I275 VanDerWaalsContact O-CG1 3.28Å; L271-I275 WeakPolarHBondContact O-CG1 3.47Å; L271-I275 PolarHBondContact O-N 2.87Å |
| 272 | E | 86.4 | Confident | 86.6 | Confident | 54 Ų | 54 | 40.8 Ų | 40.8 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -57 | -45.4 | -172.1 | -175.7 | -177.5 | 166.9 | 0 | 0 | 112.4 | A268 R269 R276 L629 | A268-E272 PolarHBondContact O-N 3.32Å; R269-E272 VanDerWaalsContact O-CB 3.26Å; R269-E272 WeakPolarHBondContact O-CB 3.5Å; R269-E272 PolarHBondContact O-N 2.93Å; R269-E272 VanDerWaalsContact O-N 3.09Å; E272-R276 VanDerWaalsContact O-CB 3.23Å; E272-R276 WeakPolarHBondContact O-CB 3.45Å; E272-R276 PolarHBondContact O-N 2.97Å; E272-L629 WeakPolarHBondContact OE2-CD1 3.38Å |
| 273 | H | 84.8 | Confident | 86.4 | Confident | 93 Ų | 93 | 43.2 Ų | 43.2 | 43% | 0.431 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62 | -52.3 | -178.7 | -171 | 89.7 | 0 | 0 | 0 | 111.9 | L271 R276 L277 | L271-H273 PolarHBondContact O-N 2.89Å; H273-R276 PolarHBondContact O-N 3.07Å; H273-L277 PolarHBondContact O-N 2.93Å; H273-L277 VanDerWaalsContact O-N 3.07Å |
| 274 | S | 85.6 | Confident | 85.9 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 178.9 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | L94 L271 R276 L277 A278 | L94-S274 WeakPolarHBondContact O-CB 3.48Å; L94-S274 PolarHBondContact O-OG 3.13Å; L271-S274 PolarHBondContact O-N 2.64Å; S274-R276 PolarHBondContact O-N 2.7Å; S274-L277 PolarHBondContact O-N 2.85Å; S274-A278 WeakPolarHBondContact O-CB 3.4Å; S274-A278 PolarHBondContact O-N 2.93Å; S274-A278 VanDerWaalsContact O-N 3.07Å |
| 275 | I | 88.7 | Confident | 85.3 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 28% | 0.277 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 178.4 | -69.7 | 169.1 | 0 | 0 | 0 | 110.3 | W55 L271 A278 N279 | W55-I275 HydrophobicContact CD2-CG1 3.85Å; W55-I275 HydrophobicContact CE3-CG1 4.23Å; W55-I275 HydrophobicContact CG-CG1 4.36Å; W55-I275 HydrophobicContact CH2-CD1 4.13Å; W55-I275 HydrophobicContact CH2-CG1 4.21Å; W55-I275 HydrophobicContact CZ2-CD1 3.98Å; W55-I275 HydrophobicContact CZ2-CG1 3.82Å; W55-I275 HydrophobicContact CZ3-CG1 4.38Å; L271-I275 HydrophobicContact CB-CD1 3.68Å; L271-I275 HydrophobicContact CB-CG1 4.36Å; L271-I275 WeakPolarHBondContact O-CB 3.37Å; L271-I275 VanDerWaalsContact O-CG1 3.28Å; L271-I275 WeakPolarHBondContact O-CG1 3.47Å; L271-I275 PolarHBondContact O-N 2.87Å; I275-A278 PolarHBondContact O-N 2.93Å; I275-N279 WeakPolarHBondContact CG2-ND2 3.41Å; I275-N279 VanDerWaalsContact O-CB 3.3Å; I275-N279 WeakPolarHBondContact O-CB 3.45Å; I275-N279 PolarHBondContact O-N 2.93Å; I275-N279 PolarHBondContact O-ND2 3.23Å |
| 276 | R | 85.7 | Confident | 84.7 | Confident | 88 Ų | 88 | 52.5 Ų | 52.5 | 33% | 0.332 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.5 | -47.6 | 178.1 | -175.4 | 173.6 | 65 | 86.2 | -7.5 | 112 | E272 H273 S274 N279 E280 | E272-R276 VanDerWaalsContact O-CB 3.23Å; E272-R276 WeakPolarHBondContact O-CB 3.45Å; E272-R276 PolarHBondContact O-N 2.97Å; H273-R276 PolarHBondContact O-N 3.07Å; S274-R276 PolarHBondContact O-N 2.7Å; R276-N279 PolarHBondContact O-N 3.39Å; R276-E280 IonicContact CZ-OE1 3.08Å; R276-E280 IonicContact NH1-OE1 3.67Å; R276-E280 PolarHBondContact NH1-OE1 3.31Å; R276-E280 WeakPolarHBondContact O-CG 3.42Å; R276-E280 PolarHBondContact O-N 3.03Å |
| 277 | L | 87 | Confident | 83.9 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 178.2 | -67.2 | -180 | 0 | 0 | 0 | 112.3 | P97 H273 S274 N279 E280 Q281 | P97-L277 HydrophobicContact CG-CB 3.87Å; H273-L277 PolarHBondContact O-N 2.93Å; H273-L277 VanDerWaalsContact O-N 3.07Å; S274-L277 PolarHBondContact O-N 2.85Å; L277-N279 VanDerWaalsContact C-N 3.34Å; L277-N279 PolarHBondContact O-N 2.98Å; L277-E280 PolarHBondContact O-N 2.92Å; L277-Q281 WeakPolarHBondContact O-CB 3.14Å; L277-Q281 PolarHBondContact O-N 2.84Å |
| 278 | A | 87.9 | Confident | 83 | Confident | 3 Ų | 3 | 55.9 Ų | 55.9 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T54 W55 P97 S274 I275 Q281 S282 | T54-A278 WeakPolarHBondContact OG1-CB 3.47Å; W55-A278 HydrophobicContact CB-CB 4Å; W55-A278 HydrophobicContact CG-CB 4.2Å; P97-A278 HydrophobicContact CB-CB 4.16Å; S274-A278 WeakPolarHBondContact O-CB 3.4Å; S274-A278 PolarHBondContact O-N 2.93Å; S274-A278 VanDerWaalsContact O-N 3.07Å; I275-A278 PolarHBondContact O-N 2.93Å; A278-Q281 PolarHBondContact O-N 3.16Å; A278-S282 WeakPolarHBondContact O-CB 3.28Å; A278-S282 PolarHBondContact O-N 3.49Å; A278-S282 PolarHBondContact O-OG 3.33Å |
| 279 | N | 87.3 | Confident | 82.1 | Confident | 65 Ų | 65 | 56.5 Ų | 56.5 | 35% | 0.348 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 174.7 | -75.1 | -19.9 | 0 | 0 | 0 | 111.6 | I275 R276 L277 Q281 S282 K283 | I275-N279 WeakPolarHBondContact CG2-ND2 3.41Å; I275-N279 VanDerWaalsContact O-CB 3.3Å; I275-N279 WeakPolarHBondContact O-CB 3.45Å; I275-N279 PolarHBondContact O-N 2.93Å; I275-N279 PolarHBondContact O-ND2 3.23Å; R276-N279 PolarHBondContact O-N 3.39Å; L277-N279 VanDerWaalsContact C-N 3.34Å; L277-N279 PolarHBondContact O-N 2.98Å; N279-Q281 VanDerWaalsContact C-N 3.34Å; N279-Q281 PolarHBondContact O-N 2.64Å; N279-S282 PolarHBondContact O-N 2.92Å; N279-K283 WeakPolarHBondContact O-CB 3.42Å; N279-K283 WeakPolarHBondContact O-CG 3.2Å; N279-K283 PolarHBondContact O-N 3.22Å |
| 280 | E | 83.2 | Confident | 81.2 | Confident | 66 Ų | 66 | 52.9 Ų | 52.9 | 31% | 0.308 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 174.6 | -74.4 | 177.2 | -152.1 | 0 | 0 | 112 | R276 L277 R284 | R276-E280 IonicContact CZ-OE1 3.08Å; R276-E280 IonicContact NH1-OE1 3.67Å; R276-E280 PolarHBondContact NH1-OE1 3.31Å; R276-E280 WeakPolarHBondContact O-CG 3.42Å; R276-E280 PolarHBondContact O-N 3.03Å; L277-E280 PolarHBondContact O-N 2.92Å; E280-R284 WeakPolarHBondContact O-CG 3.03Å; E280-R284 PolarHBondContact O-N 3.48Å |
| 281 | Q | 83.6 | Confident | 80 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 20% | 0.196 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 174.6 | -177 | -174.2 | 43.9 | 0 | 0 | 112 | T54 R98 A100 L277 A278 N279 K283 R284 F285 | T54-Q281 VanDerWaalsContact CB-OE1 3.29Å; T54-Q281 PolarHBondContact OG1-OE1 3.16Å; R98-Q281 PolarHBondContact O-NE2 3.34Å; R98-Q281 PolarHBondContact O-OE1 2.81Å; A100-Q281 HydrophobicContact CB-CG 4.28Å; A100-Q281 VanDerWaalsContact N-NE2 3.14Å; L277-Q281 WeakPolarHBondContact O-CB 3.14Å; L277-Q281 PolarHBondContact O-N 2.84Å; A278-Q281 PolarHBondContact O-N 3.16Å; N279-Q281 VanDerWaalsContact C-N 3.34Å; N279-Q281 PolarHBondContact O-N 2.64Å; Q281-K283 PolarHBondContact O-N 3.29Å; Q281-R284 PolarHBondContact O-N 3.07Å; Q281-F285 PolarHBondContact O-N 3.18Å; Q281-F285 VanDerWaalsContact O-N 3.16Å |
| 282 | S | 82.7 | Confident | 78.4 | Confident | 39 Ų | 39 | 61.3 Ų | 61.3 | 27% | 0.273 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.8 | -36.6 | -178.9 | -53.8 | 0 | 0 | 0 | 0 | 112.2 | A278 N279 F285 A286 Y405 | A278-S282 WeakPolarHBondContact O-CB 3.28Å; A278-S282 PolarHBondContact O-N 3.49Å; A278-S282 PolarHBondContact O-OG 3.33Å; N279-S282 PolarHBondContact O-N 2.92Å; S282-F285 PolarHBondContact O-N 2.93Å; S282-A286 WeakPolarHBondContact O-CB 3.25Å; S282-A286 PolarHBondContact O-N 3.35Å; S282-Y405 WeakPolarHBondContact CB-OH 3.35Å |
| 283 | K | 80.7 | Confident | 76.9 | Confident | 64 Ų | 64 | 63.9 Ų | 63.9 | 28% | 0.278 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 171.7 | -72.8 | 173.9 | 173.6 | -169.6 | 0 | 112.7 | N279 Q281 F285 A286 A287 Y405 Y561 | N279-K283 WeakPolarHBondContact O-CB 3.42Å; N279-K283 WeakPolarHBondContact O-CG 3.2Å; N279-K283 PolarHBondContact O-N 3.22Å; Q281-K283 PolarHBondContact O-N 3.29Å; K283-F285 VanDerWaalsContact C-N 3.35Å; K283-F285 PolarHBondContact O-N 3.33Å; K283-A286 PolarHBondContact O-N 3.46Å; K283-A287 WeakPolarHBondContact O-CB 3.46Å; K283-A287 PolarHBondContact O-N 2.86Å; K283-A287 VanDerWaalsContact O-N 3.1Å; K283-Y405 HydrophobicContact CG-CE1 4.25Å; K283-Y561 HydrophobicContact CB-CD2 4.1Å; K283-Y561 HydrophobicContact CB-CE2 3.69Å; K283-Y561 HydrophobicContact CD-CD1 4.16Å; K283-Y561 HydrophobicContact CD-CD2 3.64Å; K283-Y561 HydrophobicContact CD-CE1 4.17Å; K283-Y561 HydrophobicContact CD-CE2 3.64Å; K283-Y561 HydrophobicContact CD-CG 3.91Å; K283-Y561 HydrophobicContact CG-CD2 3.93Å; K283-Y561 HydrophobicContact CG-CE1 4.38Å; K283-Y561 HydrophobicContact CG-CE2 3.41Å; K283-Y561 VanDerWaalsContact CG-CE2 3.41Å |
| 284 | R | 77.7 | Confident | 75.1 | Confident | 156 Ų | 156 | 61.6 Ų | 61.6 | 59% | 0.589 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.6 | -44.2 | 176 | -68.4 | 173.8 | -167.1 | 172.3 | 9.1 | 111.3 | E280 Q281 A287 E288 | E280-R284 WeakPolarHBondContact O-CG 3.03Å; E280-R284 PolarHBondContact O-N 3.48Å; Q281-R284 PolarHBondContact O-N 3.07Å; R284-A287 PolarHBondContact O-N 3.3Å; R284-E288 PolarHBondContact O-N 3.45Å |
| 285 | F | 76.1 | Confident | 72.9 | Confident | 108 Ų | 108 | 67 Ų | 67 | 47% | 0.474 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 177.5 | -179.6 | -98.9 | 0 | 0 | 0 | 112.9 | Q281 S282 K283 A287 E288 K289 | Q281-F285 PolarHBondContact O-N 3.18Å; Q281-F285 VanDerWaalsContact O-N 3.16Å; S282-F285 PolarHBondContact O-N 2.93Å; K283-F285 VanDerWaalsContact C-N 3.35Å; K283-F285 PolarHBondContact O-N 3.33Å; F285-A287 VanDerWaalsContact C-N 3.29Å; F285-A287 PolarHBondContact O-N 3.16Å; F285-E288 PolarHBondContact O-N 3.49Å; F285-K289 WeakPolarHBondContact O-CB 3.39Å; F285-K289 PolarHBondContact O-N 3.34Å |
| 286 | A | 75.4 | Confident | 70.4 | Confident | 14 Ų | 14 | 69 Ų | 69 | 12% | 0.116 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S282 K283 K289 A290 Y405 L474 | S282-A286 WeakPolarHBondContact O-CB 3.25Å; S282-A286 PolarHBondContact O-N 3.35Å; K283-A286 PolarHBondContact O-N 3.46Å; A286-K289 WeakPolarHBondContact O-CB 3.44Å; A286-K289 PolarHBondContact O-N 2.88Å; A286-A290 PolarHBondContact O-N 2.95Å; A286-Y405 HydrophobicContact CB-CD1 3.25Å; A286-Y405 HydrophobicContact CB-CD2 4.22Å; A286-Y405 HydrophobicContact CB-CE1 3.56Å; A286-Y405 HydrophobicContact CB-CE2 4.46Å; A286-Y405 HydrophobicContact CB-CG 3.67Å; A286-L474 HydrophobicContact CB-CD1 4.33Å |
| 287 | A | 70.1 | Confident | 67.9 | Low | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -73.2 | -36.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K283 R284 F285 K289 A290 K291 L474 V563 | K283-A287 WeakPolarHBondContact O-CB 3.46Å; K283-A287 PolarHBondContact O-N 2.86Å; K283-A287 VanDerWaalsContact O-N 3.1Å; R284-A287 PolarHBondContact O-N 3.3Å; F285-A287 VanDerWaalsContact C-N 3.29Å; F285-A287 PolarHBondContact O-N 3.16Å; A287-K289 VanDerWaalsContact C-N 3.28Å; A287-K289 PolarHBondContact O-N 3.15Å; A287-A290 PolarHBondContact O-N 3.4Å; A287-K291 WeakPolarHBondContact O-CG 3.3Å; A287-K291 PolarHBondContact O-N 3.4Å; A287-L474 HydrophobicContact CB-CD1 4.02Å; A287-V563 HydrophobicContact CB-CB 3.74Å; A287-V563 HydrophobicContact CB-CG1 3.31Å; A287-V563 HydrophobicContact CB-CG2 3.22Å |
| 288 | E | 69.8 | Low | 65.2 | Low | 95 Ų | 95 | 71.1 Ų | 71.1 | 44% | 0.444 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 171.1 | -162.5 | -171.3 | 167.6 | 0 | 0 | 110.9 | R284 F285 K291 R292 | R284-E288 PolarHBondContact O-N 3.45Å; F285-E288 PolarHBondContact O-N 3.49Å; E288-K291 PolarHBondContact O-N 2.9Å; E288-R292 VanDerWaalsContact CD-NH2 3.34Å; E288-R292 VanDerWaalsContact O-CG 3.28Å; E288-R292 WeakPolarHBondContact O-CG 3.43Å; E288-R292 PolarHBondContact O-N 2.88Å; E288-R292 VanDerWaalsContact O-N 3.13Å; E288-R292 IonicContact OE1-CZ 3.59Å; E288-R292 IonicContact OE1-NE 2.88Å; E288-R292 IonicContact OE1-NH2 3.36Å; E288-R292 PolarHBondContact OE1-NH2 3.5Å; E288-R292 IonicContact OE2-NH2 3.54Å |
| 289 | K | 70.3 | Confident | 62.4 | Low | 76 Ų | 76 | 74.5 Ų | 74.5 | 33% | 0.33 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 172.6 | -179 | 178 | 174.2 | -178.6 | 0 | 112.1 | I241 F285 A286 A287 R292 Q293 | I241-K289 PolarHBondContact O-NZ 2.88Å; F285-K289 WeakPolarHBondContact O-CB 3.39Å; F285-K289 PolarHBondContact O-N 3.34Å; A286-K289 WeakPolarHBondContact O-CB 3.44Å; A286-K289 PolarHBondContact O-N 2.88Å; A287-K289 VanDerWaalsContact C-N 3.28Å; A287-K289 PolarHBondContact O-N 3.15Å; K289-R292 PolarHBondContact O-N 3.17Å; K289-Q293 PolarHBondContact O-N 2.98Å |
| 290 | A | 64.9 | Low | 59.9 | Low | 7 Ų | 7 | 74.7 Ų | 74.7 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A286 A287 R292 Q293 T294 | A286-A290 PolarHBondContact O-N 2.95Å; A287-A290 PolarHBondContact O-N 3.4Å; A290-R292 VanDerWaalsContact C-N 3.32Å; A290-R292 PolarHBondContact O-N 2.81Å; A290-Q293 WeakPolarHBondContact O-CB 3.49Å; A290-Q293 PolarHBondContact O-N 2.86Å; A290-T294 PolarHBondContact O-N 3.28Å; A290-T294 VanDerWaalsContact O-N 3.08Å; A290-T294 PolarHBondContact O-OG1 3.42Å |
| 291 | K | 62.5 | Low | 57.4 | Low | 65 Ų | 65 | 75.4 Ų | 75.4 | 28% | 0.283 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57 | -42.2 | 176.9 | -73.2 | 179 | 176.7 | -169.7 | 0 | 112.9 | A287 E288 Q293 T294 I295 D564 | A287-K291 WeakPolarHBondContact O-CG 3.3Å; A287-K291 PolarHBondContact O-N 3.4Å; E288-K291 PolarHBondContact O-N 2.9Å; K291-Q293 VanDerWaalsContact C-N 3.29Å; K291-Q293 PolarHBondContact O-N 3.24Å; K291-T294 PolarHBondContact O-N 3.41Å; K291-I295 WeakPolarHBondContact O-CG1 3.44Å; K291-I295 PolarHBondContact O-N 3.41Å; K291-D564 IonicContact NZ-OD1 3.82Å; K291-D564 PolarHBondContact NZ-OD1 2.82Å; K291-D564 IonicContact NZ-OD2 3.75Å; K291-D564 PolarHBondContact NZ-OD2 2.84Å; K291-D564 VanDerWaalsContact NZ-OD2 3.08Å |
| 292 | R | 57.2 | Low | 54.7 | Low | 149 Ų | 149 | 80.5 Ų | 80.5 | 56% | 0.562 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.5 | -36.1 | 176.1 | -69 | 168.3 | -175 | -166 | 3.5 | 112.1 | E288 K289 A290 T296 | E288-R292 VanDerWaalsContact CD-NH2 3.34Å; E288-R292 VanDerWaalsContact O-CG 3.28Å; E288-R292 WeakPolarHBondContact O-CG 3.43Å; E288-R292 PolarHBondContact O-N 2.88Å; E288-R292 VanDerWaalsContact O-N 3.13Å; E288-R292 IonicContact OE1-CZ 3.59Å; E288-R292 IonicContact OE1-NE 2.88Å; E288-R292 IonicContact OE1-NH2 3.36Å; E288-R292 PolarHBondContact OE1-NH2 3.5Å; E288-R292 IonicContact OE2-NH2 3.54Å; K289-R292 PolarHBondContact O-N 3.17Å; A290-R292 VanDerWaalsContact C-N 3.32Å; A290-R292 PolarHBondContact O-N 2.81Å; R292-T296 PolarHBondContact O-N 3.07Å; R292-T296 PolarHBondContact O-OG1 2.77Å |
| 293 | Q | 54.5 | Low | 52.3 | Low | 109 Ų | 109 | 84 Ų | 84 | 51% | 0.509 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -69 | -41.2 | 175.5 | -69.2 | 173.4 | -30.6 | 0 | 0 | 111.8 | K289 A290 K291 T296 L297 | K289-Q293 PolarHBondContact O-N 2.98Å; A290-Q293 WeakPolarHBondContact O-CB 3.49Å; A290-Q293 PolarHBondContact O-N 2.86Å; K291-Q293 VanDerWaalsContact C-N 3.29Å; K291-Q293 PolarHBondContact O-N 3.24Å; Q293-T296 WeakPolarHBondContact O-CB 3.46Å; Q293-T296 PolarHBondContact O-N 2.67Å; Q293-L297 PolarHBondContact O-N 3.27Å |
| 294 | T | 46.5 | Very low | 49.8 | Very low | 45 Ų | 45 | 88.5 Ų | 88.5 | 28% | 0.276 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.5 | -43.1 | 178.7 | -42.3 | 0 | 0 | 0 | 0 | 113.2 | A290 K291 T296 L297 V298 T471 | A290-T294 PolarHBondContact O-N 3.28Å; A290-T294 VanDerWaalsContact O-N 3.08Å; A290-T294 PolarHBondContact O-OG1 3.42Å; K291-T294 PolarHBondContact O-N 3.41Å; T294-T296 PolarHBondContact O-N 2.82Å; T294-L297 PolarHBondContact O-N 2.85Å; T294-L297 VanDerWaalsContact O-N 3.08Å; T294-V298 PolarHBondContact O-N 3.21Å; T294-V298 VanDerWaalsContact O-N 3.11Å; T294-T471 HydrophobicContact CG2-CG2 4.33Å |
| 295 | I | 39.2 | Very low | 47.4 | Very low | 117 Ų | 117 | 85.8 Ų | 85.8 | 60% | 0.6 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -57.3 | -40.8 | 178 | -68.6 | 165 | 0 | 0 | 0 | 110.6 | K291 L297 V298 S299 | K291-I295 WeakPolarHBondContact O-CG1 3.44Å; K291-I295 PolarHBondContact O-N 3.41Å; I295-L297 VanDerWaalsContact C-N 3.3Å; I295-L297 PolarHBondContact O-N 2.96Å; I295-V298 PolarHBondContact O-N 2.92Å; I295-S299 PolarHBondContact O-N 3.33Å; I295-S299 VanDerWaalsContact O-N 3.09Å; I295-S299 PolarHBondContact O-OG 3.37Å; I295-S299 VanDerWaalsContact O-OG 3.09Å |
| 296 | T | 35.6 | Very low | 45.2 | Very low | 95 Ų | 95 | 88.2 Ų | 88.2 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58 | -41.5 | 177.5 | -52.6 | 0 | 0 | 0 | 0 | 111.8 | R292 Q293 T294 S299 | R292-T296 PolarHBondContact O-N 3.07Å; R292-T296 PolarHBondContact O-OG1 2.77Å; Q293-T296 WeakPolarHBondContact O-CB 3.46Å; Q293-T296 PolarHBondContact O-N 2.67Å; T294-T296 PolarHBondContact O-N 2.82Å; T296-S299 PolarHBondContact O-OG 3.44Å |
| 297 | L | 33.7 | Very low | 43 | Very low | 97 Ų | 97 | 93 Ų | 93 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.5 | -47.7 | 177.5 | -80 | 160.3 | 0 | 0 | 0 | 112.3 | Q293 T294 I295 S299 S300 L466 | Q293-L297 PolarHBondContact O-N 3.27Å; T294-L297 PolarHBondContact O-N 2.85Å; T294-L297 VanDerWaalsContact O-N 3.08Å; I295-L297 VanDerWaalsContact C-N 3.3Å; I295-L297 PolarHBondContact O-N 2.96Å; L297-S299 VanDerWaalsContact C-N 3.32Å; L297-S299 PolarHBondContact O-N 3.09Å; L297-S300 WeakPolarHBondContact O-CB 3.42Å; L297-S300 PolarHBondContact O-N 3.15Å; L297-S300 PolarHBondContact O-OG 2.82Å; L297-L466 HydrophobicContact CD1-CD1 4.42Å |
| 298 | V | 30.6 | Very low | 40.9 | Very low | 82 Ų | 82 | 99.6 Ų | 99.6 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | -178.2 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | T294 I295 S300 S301 | T294-V298 PolarHBondContact O-N 3.21Å; T294-V298 VanDerWaalsContact O-N 3.11Å; I295-V298 PolarHBondContact O-N 2.92Å; V298-S300 PolarHBondContact O-N 3.18Å; V298-S300 VanDerWaalsContact O-N 3.13Å; V298-S301 PolarHBondContact O-N 3.24Å; V298-S301 VanDerWaalsContact O-N 3.07Å |
| 299 | S | 29.8 | Very low | 38.8 | Very low | 74 Ų | 74 | 102.9 Ų | 102.9 | 52% | 0.517 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.3 | -13.1 | 176.8 | 57.2 | 0 | 0 | 0 | 0 | 114.8 | I295 T296 L297 | I295-S299 PolarHBondContact O-N 3.33Å; I295-S299 VanDerWaalsContact O-N 3.09Å; I295-S299 PolarHBondContact O-OG 3.37Å; I295-S299 VanDerWaalsContact O-OG 3.09Å; T296-S299 PolarHBondContact O-OG 3.44Å; L297-S299 VanDerWaalsContact C-N 3.32Å; L297-S299 PolarHBondContact O-N 3.09Å |
| 300 | S | 33.4 | Very low | 36.7 | Very low | 69 Ų | 69 | 104.3 Ų | 104.3 | 48% | 0.483 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.3 | -15 | 173.9 | 73.3 | 0 | 0 | 0 | 0 | 113.9 | L297 V298 T303 | L297-S300 WeakPolarHBondContact O-CB 3.42Å; L297-S300 PolarHBondContact O-N 3.15Å; L297-S300 PolarHBondContact O-OG 2.82Å; V298-S300 PolarHBondContact O-N 3.18Å; V298-S300 VanDerWaalsContact O-N 3.13Å; S300-T303 PolarHBondContact O-OG1 2.97Å |
| 301 | S | 30.4 | Very low | 34.9 | Very low | 80 Ų | 80 | 114.3 Ų | 114.3 | 56% | 0.559 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -33.1 | -176.4 | -51.2 | 0 | 0 | 0 | 0 | 113.8 | V298 T303 Q304 | V298-S301 PolarHBondContact O-N 3.24Å; V298-S301 VanDerWaalsContact O-N 3.07Å; S301-T303 PolarHBondContact O-N 3.49Å; S301-Q304 PolarHBondContact O-N 2.83Å |
| 302 | E | 28.8 | Very low | 33 | Very low | 149 Ų | 149 | 118.5 Ų | 118.5 | 70% | 0.696 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -65.3 | -24.2 | -174.6 | -68.9 | -172.3 | 151.2 | 0 | 0 | 113.5 | Q304 S305 | E302-Q304 VanDerWaalsContact C-N 3.28Å; E302-Q304 PolarHBondContact O-N 2.89Å; E302-S305 PolarHBondContact O-OG 2.78Å |
| 303 | T | 31.1 | Very low | 31.6 | Very low | 113 Ų | 113 | 119.3 Ų | 119.3 | 69% | 0.693 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -72.4 | -9.8 | 179.9 | 43.1 | 0 | 0 | 0 | 0 | 115.1 | S300 S301 | S300-T303 PolarHBondContact O-OG1 2.97Å; S301-T303 PolarHBondContact O-N 3.49Å |
| 304 | Q | 29.3 | Very low | 30.3 | Very low | 158 Ų | 158 | 120.7 Ų | 120.7 | 74% | 0.738 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -92.3 | -11.7 | 179.5 | -65.8 | -167.8 | 1 | 0 | 0 | 114.6 | S301 E302 L306 | S301-Q304 PolarHBondContact O-N 2.83Å; E302-Q304 VanDerWaalsContact C-N 3.28Å; E302-Q304 PolarHBondContact O-N 2.89Å; Q304-L306 VanDerWaalsContact C-N 3.31Å; Q304-L306 PolarHBondContact O-N 2.95Å |
| 305 | S | 25.8 | Very low | 29.5 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 69% | 0.692 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -2.7 | -172.7 | 64.9 | 0 | 0 | 0 | 0 | 116 | E302 | E302-S305 PolarHBondContact O-OG 2.78Š|
| 306 | L | 29.6 | Very low | 29 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -1.8 | -176.8 | -109.4 | 89.3 | 0 | 0 | 0 | 116.2 | Q304 | Q304-L306 VanDerWaalsContact C-N 3.31Å; Q304-L306 PolarHBondContact O-N 2.95Å |
| 307 | V | 31.2 | Very low | 28.4 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -97.7 | -19.8 | -166.4 | -176.5 | 0 | 0 | 0 | 0 | 114.7 | N309 | V307-N309 PolarHBondContact O-N 2.96Š|
| 308 | N | 26 | Very low | 28.1 | Very low | 139 Ų | 139 | 127.1 Ų | 127.1 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -81.4 | 3.5 | -168.4 | -83.5 | 1.6 | 0 | 0 | 0 | 117.1 | ||
| 309 | N | 24.9 | Very low | 27.9 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -111.5 | 56.7 | -176.3 | -78.3 | -14.1 | 0 | 0 | 0 | 114 | V307 | V307-N309 PolarHBondContact O-N 2.96Š|
| 310 | S | 26.3 | Very low | 27.7 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | -158.1 | 35.2 | 164.5 | -165.3 | 0 | 0 | 0 | 0 | 116.1 | N312 | S310-N312 PolarHBondContact O-N 2.91Š| ||
| 311 | Y | 26 | Very low | 27.3 | Very low | 217 Ų | 217 | 136.9 Ų | 136.9 | 85% | 0.851 | 77% | 0.767 | S | S | * | * | trans | -91.2 | 74.5 | 168.8 | -81.8 | -72.2 | 0 | 0 | 0 | 111.8 | ||||
| 312 | N | 24.3 | Very low | 27.1 | Very low | 153 Ų | 153 | 142.1 Ų | 142.1 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | -170.6 | 96.6 | 159.3 | -102.1 | -28.5 | 0 | 0 | 0 | 111 | S310 | S310-N312 PolarHBondContact O-N 2.91Š| ||
| 313 | N | 27.4 | Very low | 26.9 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -162.8 | 129.7 | 137.7 | -109.2 | -30.7 | 0 | 0 | 0 | 112.1 | ||||
| 314 | N | 26.4 | Very low | 26.6 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | -67.8 | 152.1 | 167.5 | -59.5 | -52.1 | 0 | 0 | 0 | 109.9 | ||||
| 315 | N | 30.6 | Very low | 26.4 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | 168.2 | 119.2 | 116 | -83.2 | -29.5 | 0 | 0 | 0 | 113 | |||||
| 316 | N | 27.6 | Very low | 26.4 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | 28.6 | 110.5 | 129 | -57.2 | -19.3 | 0 | 0 | 0 | 119.6 | |||||
| 317 | G | 24.2 | Very low | 26.2 | Very low | 70 Ų | 70 | 142.7 Ų | 142.7 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | 104.6 | 152 | 116.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 318 | S | 26.5 | Very low | 25.8 | Very low | 123 Ų | 123 | 145 Ų | 145 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 78.8 | 112.4 | 170.7 | 73.7 | 0 | 0 | 0 | 0 | 118.6 | T320 | S318-T320 PolarHBondContact O-N 2.8Š| ||
| 319 | N | 25.8 | Very low | 25.7 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 84% | 0.84 | 81% | 0.807 | S | S | * | * | trans | -51.6 | 124.3 | 164.6 | -71.7 | -28.5 | 0 | 0 | 0 | 111.9 | ||||
| 320 | T | 26.9 | Very low | 25.7 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 66% | 0.656 | 80% | 0.797 | S | S | * | * | trans | -136.8 | 123.6 | 142 | 45.9 | 0 | 0 | 0 | 0 | 109.6 | S318 Y322 | S318-T320 PolarHBondContact O-N 2.8Å; T320-Y322 VanDerWaalsContact C-N 3.31Å; T320-Y322 HydrophobicContact CG2-CE2 4.32Å; T320-Y322 PolarHBondContact O-N 2.81Å | ||
| 321 | N | 24.3 | Very low | 25.4 | Very low | 166 Ų | 166 | 148 Ų | 148 | 89% | 0.888 | 80% | 0.799 | S | S | * | * | trans | -76.3 | 82.2 | 178.5 | -71.6 | -24.8 | 0 | 0 | 0 | 109.9 | ||||
| 322 | Y | 27.2 | Very low | 25.5 | Very low | 189 Ų | 189 | 143.7 Ų | 143.7 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -105.3 | 113.5 | 165.7 | -73.1 | -70.4 | 0 | 0 | 0 | 110 | T320 T324 | T320-Y322 VanDerWaalsContact C-N 3.31Å; T320-Y322 HydrophobicContact CG2-CE2 4.32Å; T320-Y322 PolarHBondContact O-N 2.81Å; Y322-T324 PolarHBondContact O-N 3.37Å | ||
| 323 | T | 24.5 | Very low | 25.7 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | trans | -57.1 | 96.8 | 170.3 | 44.8 | 0 | 0 | 0 | 0 | 109.8 | N325 | T323-N325 PolarHBondContact O-N 2.77Š| ||
| 324 | T | 25.1 | Very low | 25.8 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -66.9 | 113.6 | 171.8 | 36.4 | 0 | 0 | 0 | 0 | 108.9 | Y322 S326 | Y322-T324 PolarHBondContact O-N 3.37Å; T324-S326 PolarHBondContact O-N 2.81Å | ||
| 325 | N | 23.4 | Very low | 25.9 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | -56.7 | 90.5 | 163.2 | -109.5 | -12.2 | 0 | 0 | 0 | 108.2 | T323 | T323-N325 PolarHBondContact O-N 2.77Š| ||
| 326 | S | 25.7 | Very low | 26.3 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -72.4 | 131.5 | 170.1 | 49.4 | 0 | 0 | 0 | 0 | 108.5 | T324 | T324-S326 PolarHBondContact O-N 2.81Š| ||
| 327 | N | 25.4 | Very low | 26.9 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | trans | -58.6 | 141.3 | -172 | -74 | -58 | 0 | 0 | 0 | 111.9 | Y329 | N327-Y329 VanDerWaalsContact C-N 3.32Å; N327-Y329 PolarHBondContact O-N 2.83Å | ||
| 328 | I | 24.4 | Very low | 27.7 | Very low | 160 Ų | 160 | 143.5 Ų | 143.5 | 82% | 0.821 | 76% | 0.756 | S | S | * | * | trans | -66.5 | 87.1 | -175.6 | -57.1 | 158.8 | 0 | 0 | 0 | 109.6 | ||||
| 329 | Y | 23.1 | Very low | 28.9 | Very low | 211 Ų | 211 | 141.6 Ų | 141.6 | 83% | 0.827 | 74% | 0.742 | S | S | * | * | trans | -71.1 | 126.7 | 139.3 | -77.7 | -84.3 | 0 | 0 | 0 | 106.5 | N327 M331 | N327-Y329 VanDerWaalsContact C-N 3.32Å; N327-Y329 PolarHBondContact O-N 2.83Å; Y329-M331 PolarHBondContact O-N 2.89Å | ||
| 330 | P | 24.3 | Very low | 30.4 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | trans | -68.5 | 90.3 | 167.7 | 29.4 | -31.8 | 0 | 0 | 0 | 107.1 | V332 | P330-V332 PolarHBondContact O-N 2.95Š| ||
| 331 | M | 20.2 | Very low | 32.3 | Very low | 161 Ų | 161 | 139.3 Ų | 139.3 | 79% | 0.793 | 73% | 0.725 | S | S | * | * | trans | -63.5 | 90.8 | 160.9 | -167.6 | -173.5 | -161.9 | 0 | 0 | 105.6 | Y329 E333 V334 | Y329-M331 PolarHBondContact O-N 2.89Å; M331-E333 PolarHBondContact O-N 2.81Å; M331-V334 HydrophobicContact CE-CG2 4.26Å | ||
| 332 | V | 28.9 | Very low | 34.5 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 76% | 0.764 | 71% | 0.71 | S | S | * | * | trans | -58.7 | 109.3 | 168.2 | 175.5 | 0 | 0 | 0 | 0 | 104.9 | P330 V334 | P330-V332 PolarHBondContact O-N 2.95Å; V332-V334 PolarHBondContact O-N 3Å | ||
| 333 | E | 27.3 | Very low | 36.8 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 54% | 0.537 | 69% | 0.693 | S | S | . | * | trans | -38.3 | 124.1 | -179.1 | -171.2 | -172.9 | -155.4 | 0 | 0 | 109.7 | M331 R335 | M331-E333 PolarHBondContact O-N 2.81Å; E333-R335 VanDerWaalsContact CD-CZ 3.43Å; E333-R335 HydrophobicContact CG-CG 4.38Å; E333-R335 PolarHBondContact O-N 2.81Å; E333-R335 IonicContact OE1-CZ 3.93Å; E333-R335 IonicContact OE1-NE 3.09Å; E333-R335 IonicContact OE1-NH1 3.76Å; E333-R335 PolarHBondContact OE1-NH1 2.87Å; E333-R335 VanDerWaalsContact OE1-NH1 3.08Å; E333-R335 IonicContact OE1-NH2 3.84Å; E333-R335 PolarHBondContact OE1-NH2 2.88Å; E333-R335 IonicContact OE2-CZ 2.66Å; E333-R335 VanDerWaalsContact OE2-CZ 3.27Å; E333-R335 IonicContact OE2-NE 2.69Å; E333-R335 IonicContact OE2-NH1 3.65Å; E333-R335 PolarHBondContact OE2-NH1 2.96Å | ||
| 334 | V | 29.9 | Very low | 39.4 | Very low | 122 Ų | 122 | 127.3 Ų | 127.3 | 74% | 0.739 | 67% | 0.668 | S | S | * | * | trans | -72.7 | 72 | -171.9 | -173.8 | 0 | 0 | 0 | 0 | 110.2 | M331 V332 | M331-V334 HydrophobicContact CE-CG2 4.26Å; V332-V334 PolarHBondContact O-N 3Å | ||
| 335 | R | 29.5 | Very low | 42 | Very low | 175 Ų | 175 | 125 Ų | 125 | 66% | 0.66 | 65% | 0.651 | S | S | * | * | trans | -106.9 | 124.7 | 166.8 | -72.9 | 179 | 168.7 | 147.2 | -0.7 | 106.8 | E333 | E333-R335 VanDerWaalsContact CD-CZ 3.43Å; E333-R335 HydrophobicContact CG-CG 4.38Å; E333-R335 PolarHBondContact O-N 2.81Å; E333-R335 IonicContact OE1-CZ 3.93Å; E333-R335 IonicContact OE1-NE 3.09Å; E333-R335 IonicContact OE1-NH1 3.76Å; E333-R335 PolarHBondContact OE1-NH1 2.87Å; E333-R335 VanDerWaalsContact OE1-NH1 3.08Å; E333-R335 IonicContact OE1-NH2 3.84Å; E333-R335 PolarHBondContact OE1-NH2 2.88Å; E333-R335 IonicContact OE2-CZ 2.66Å; E333-R335 VanDerWaalsContact OE2-CZ 3.27Å; E333-R335 IonicContact OE2-NE 2.69Å; E333-R335 IonicContact OE2-NH1 3.65Å; E333-R335 PolarHBondContact OE2-NH1 2.96Å | ||
| 336 | N | 37.4 | Very low | 44.6 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | trans | 81.1 | 88 | 178.6 | -47.5 | -41.9 | 0 | 0 | 0 | 115.9 | K338 C339 | N336-K338 HydrophobicContact CB-CB 4.3Å; N336-K338 PolarHBondContact O-N 2.93Å; N336-K338 VanDerWaalsContact O-N 3.14Å; N336-C339 HydrophobicContact CB-CB 4.26Å; N336-C339 WeakPolarHBondContact O-CB 3.39Å; N336-C339 PolarHBondContact O-N 2.8Å | ||
| 337 | I | 41.4 | Very low | 47.2 | Very low | 139 Ų | 139 | 115.3 Ų | 115.3 | 71% | 0.713 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -49.3 | -29.6 | 154.7 | -65.5 | 165.1 | 0 | 0 | 0 | 111.2 | C339 T340 E341 | I337-C339 VanDerWaalsContact C-N 3.3Å; I337-C339 PolarHBondContact O-N 2.9Å; I337-T340 PolarHBondContact O-N 2.75Å; I337-T340 PolarHBondContact O-OG1 2.91Å; I337-E341 PolarHBondContact O-N 3.27Å |
| 338 | K | 41.7 | Very low | 50.1 | Low | 150 Ų | 150 | 113 Ų | 113 | 65% | 0.652 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -54.5 | -38.8 | 170.2 | -98.3 | -174.7 | 170.3 | -176.5 | 0 | 114.2 | N336 T340 E341 D342 | N336-K338 HydrophobicContact CB-CB 4.3Å; N336-K338 PolarHBondContact O-N 2.93Å; N336-K338 VanDerWaalsContact O-N 3.14Å; K338-T340 VanDerWaalsContact C-N 3.31Å; K338-T340 PolarHBondContact O-N 2.91Å; K338-E341 PolarHBondContact O-N 3.02Å; K338-D342 WeakPolarHBondContact O-CB 3.34Å; K338-D342 VanDerWaalsContact O-CG 3.28Å; K338-D342 PolarHBondContact O-N 3.44Å |
| 339 | C | 50 | Low | 52.8 | Low | 84 Ų | 84 | 109.8 Ų | 109.8 | 57% | 0.568 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69 | -32.9 | -176.9 | -167.3 | 0 | 0 | 0 | 0 | 111.8 | N336 I337 Y343 | N336-C339 HydrophobicContact CB-CB 4.26Å; N336-C339 WeakPolarHBondContact O-CB 3.39Å; N336-C339 PolarHBondContact O-N 2.8Å; I337-C339 VanDerWaalsContact C-N 3.3Å; I337-C339 PolarHBondContact O-N 2.9Å; C339-Y343 VanDerWaalsContact O-CB 3.23Å; C339-Y343 WeakPolarHBondContact O-CB 3.45Å; C339-Y343 PolarHBondContact O-N 3.11Å |
| 340 | T | 58.4 | Low | 55.7 | Low | 96 Ų | 96 | 99.9 Ų | 99.9 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.8 | -40.8 | 172.7 | 8.2 | 0 | 0 | 0 | 0 | 112.2 | I337 K338 A344 | I337-T340 PolarHBondContact O-N 2.75Å; I337-T340 PolarHBondContact O-OG1 2.91Å; K338-T340 VanDerWaalsContact C-N 3.31Å; K338-T340 PolarHBondContact O-N 2.91Å; T340-A344 WeakPolarHBondContact O-CB 3.41Å; T340-A344 PolarHBondContact O-N 3.06Å |
| 341 | E | 66.7 | Low | 58.6 | Low | 120 Ų | 120 | 99.2 Ų | 99.2 | 56% | 0.561 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -70.8 | -45.8 | 178.4 | -168.9 | 173.9 | -164.8 | 0 | 0 | 111.9 | I337 K338 Y343 A344 N345 | I337-E341 PolarHBondContact O-N 3.27Å; K338-E341 PolarHBondContact O-N 3.02Å; E341-Y343 VanDerWaalsContact C-N 3.26Å; E341-Y343 PolarHBondContact O-N 2.92Å; E341-A344 PolarHBondContact O-N 2.78Å; E341-N345 WeakPolarHBondContact O-CB 3.45Å; E341-N345 VanDerWaalsContact O-CG 3.22Å; E341-N345 PolarHBondContact O-N 2.76Å; E341-N345 PolarHBondContact O-ND2 3.44Å |
| 342 | D | 70.6 | Confident | 61.7 | Low | 104 Ų | 104 | 97.7 Ų | 97.7 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.3 | -39.7 | 173.1 | -71.3 | -32.5 | 0 | 0 | 0 | 111.6 | K338 A346 | K338-D342 WeakPolarHBondContact O-CB 3.34Å; K338-D342 VanDerWaalsContact O-CG 3.28Å; K338-D342 PolarHBondContact O-N 3.44Å; D342-A346 WeakPolarHBondContact O-CB 3.37Å; D342-A346 PolarHBondContact O-N 3.16Å |
| 343 | Y | 75.7 | Confident | 64.5 | Low | 100 Ų | 100 | 93.9 Ų | 93.9 | 39% | 0.392 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.2 | -46.4 | 175.6 | 178.9 | -103.7 | 0 | 0 | 0 | 112.5 | C339 E341 N345 A346 V347 | C339-Y343 VanDerWaalsContact O-CB 3.23Å; C339-Y343 WeakPolarHBondContact O-CB 3.45Å; C339-Y343 PolarHBondContact O-N 3.11Å; E341-Y343 VanDerWaalsContact C-N 3.26Å; E341-Y343 PolarHBondContact O-N 2.92Å; Y343-N345 VanDerWaalsContact C-N 3.28Å; Y343-N345 PolarHBondContact O-N 3.39Å; Y343-A346 PolarHBondContact O-N 3.44Å; Y343-A346 VanDerWaalsContact O-N 3.15Å; Y343-V347 HydrophobicContact CD1-CG2 4.14Å; Y343-V347 HydrophobicContact CD2-CG2 4.37Å; Y343-V347 HydrophobicContact CE1-CG2 3.67Å; Y343-V347 HydrophobicContact CE2-CG2 3.92Å; Y343-V347 HydrophobicContact CG-CG2 4.47Å; Y343-V347 WeakPolarHBondContact O-CG2 3.18Å; Y343-V347 PolarHBondContact O-N 2.83Å |
| 344 | A | 78.4 | Confident | 67.3 | Low | 42 Ų | 42 | 89.4 Ų | 89.4 | 35% | 0.347 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.4 | -41.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T340 E341 V347 N348 | T340-A344 WeakPolarHBondContact O-CB 3.41Å; T340-A344 PolarHBondContact O-N 3.06Å; E341-A344 PolarHBondContact O-N 2.78Å; A344-V347 PolarHBondContact O-N 2.94Å; A344-N348 WeakPolarHBondContact O-CB 3.14Å; A344-N348 PolarHBondContact O-N 2.82Å; A344-N348 PolarHBondContact O-ND2 3.08Å |
| 345 | N | 80.7 | Confident | 70.1 | Confident | 81 Ų | 81 | 83.6 Ų | 83.6 | 43% | 0.433 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 174.2 | -71.2 | -28.9 | 0 | 0 | 0 | 112.2 | E341 Y343 N348 M349 | E341-N345 WeakPolarHBondContact O-CB 3.45Å; E341-N345 VanDerWaalsContact O-CG 3.22Å; E341-N345 PolarHBondContact O-N 2.76Å; E341-N345 PolarHBondContact O-ND2 3.44Å; Y343-N345 VanDerWaalsContact C-N 3.28Å; Y343-N345 PolarHBondContact O-N 3.39Å; N345-N348 PolarHBondContact O-N 3.27Å; N345-M349 WeakPolarHBondContact O-CB 3.48Å; N345-M349 VanDerWaalsContact O-CG 3.29Å; N345-M349 WeakPolarHBondContact O-CG 3.35Å; N345-M349 PolarHBondContact O-N 2.91Å |
| 346 | A | 77.1 | Confident | 72.5 | Confident | 45 Ų | 45 | 81.9 Ų | 81.9 | 37% | 0.372 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.1 | -38 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D342 Y343 F350 | D342-A346 WeakPolarHBondContact O-CB 3.37Å; D342-A346 PolarHBondContact O-N 3.16Å; Y343-A346 PolarHBondContact O-N 3.44Å; Y343-A346 VanDerWaalsContact O-N 3.15Å; A346-F350 WeakPolarHBondContact O-CB 3.21Å; A346-F350 PolarHBondContact O-N 3.43Å |
| 347 | V | 81.1 | Confident | 74.7 | Confident | 20 Ų | 20 | 78.3 Ų | 78.3 | 12% | 0.121 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.2 | -49.2 | 174.1 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | L171 Y343 A344 M349 F350 H351 | L171-V347 HydrophobicContact CD1-CG2 4.1Å; L171-V347 HydrophobicContact CD2-CG2 4.03Å; Y343-V347 HydrophobicContact CD1-CG2 4.14Å; Y343-V347 HydrophobicContact CD2-CG2 4.37Å; Y343-V347 HydrophobicContact CE1-CG2 3.67Å; Y343-V347 HydrophobicContact CE2-CG2 3.92Å; Y343-V347 HydrophobicContact CG-CG2 4.47Å; Y343-V347 WeakPolarHBondContact O-CG2 3.18Å; Y343-V347 PolarHBondContact O-N 2.83Å; A344-V347 PolarHBondContact O-N 2.94Å; V347-M349 PolarHBondContact O-N 3.17Å; V347-F350 PolarHBondContact O-N 3.44Å; V347-F350 VanDerWaalsContact O-N 3.16Å; V347-H351 PolarHBondContact O-CD2 3.1Å; V347-H351 PolarHBondContact O-N 3.01Å |
| 348 | N | 84.5 | Confident | 76.9 | Confident | 102 Ų | 102 | 73.1 Ų | 73.1 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.7 | -45.5 | 178 | -71.2 | -15.6 | 0 | 0 | 0 | 111.7 | A344 N345 F350 H351 Q352 | A344-N348 WeakPolarHBondContact O-CB 3.14Å; A344-N348 PolarHBondContact O-N 2.82Å; A344-N348 PolarHBondContact O-ND2 3.08Å; N345-N348 PolarHBondContact O-N 3.27Å; N348-F350 VanDerWaalsContact C-N 3.35Å; N348-F350 PolarHBondContact O-N 3.5Å; N348-H351 PolarHBondContact O-N 3.38Å; N348-Q352 WeakPolarHBondContact O-CB 3.36Å; N348-Q352 PolarHBondContact O-N 3.21Å |
| 349 | M | 81.5 | Confident | 79.3 | Confident | 93 Ų | 93 | 66.1 Ų | 66.1 | 46% | 0.458 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 173.6 | -74.4 | -127.5 | -62.2 | 0 | 0 | 112.4 | L169 N345 V347 Q352 Y353 | L169-M349 HydrophobicContact CD2-CE 4.4Å; N345-M349 WeakPolarHBondContact O-CB 3.48Å; N345-M349 VanDerWaalsContact O-CG 3.29Å; N345-M349 WeakPolarHBondContact O-CG 3.35Å; N345-M349 PolarHBondContact O-N 2.91Å; V347-M349 PolarHBondContact O-N 3.17Å; M349-Q352 PolarHBondContact O-N 3.27Å; M349-Y353 VanDerWaalsContact O-CD2 3.28Å; M349-Y353 WeakPolarHBondContact O-CD2 3.48Å; M349-Y353 PolarHBondContact O-N 3.36Å |
| 350 | F | 85.6 | Confident | 81.4 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.009 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 176.6 | -171.6 | -81.1 | 0 | 0 | 0 | 111.3 | L169 L171 L178 A346 V347 N348 Q352 Y353 D354 | L169-F350 HydrophobicContact CB-CD2 4.06Å; L171-F350 HydrophobicContact CB-CD2 3.81Å; L171-F350 HydrophobicContact CB-CE2 4.05Å; L171-F350 HydrophobicContact CB-CG 4.11Å; L171-F350 HydrophobicContact CD1-CB 3.91Å; L171-F350 HydrophobicContact CD1-CD2 4.41Å; L171-F350 HydrophobicContact CD1-CG 4.25Å; L178-F350 HydrophobicContact CB-CE2 4.31Å; L178-F350 HydrophobicContact CD1-CD1 4.16Å; L178-F350 HydrophobicContact CD1-CD2 3.79Å; L178-F350 HydrophobicContact CD1-CE1 4Å; L178-F350 HydrophobicContact CD1-CE2 3.63Å; L178-F350 HydrophobicContact CD1-CG 4.05Å; L178-F350 HydrophobicContact CD1-CZ 3.72Å; L178-F350 HydrophobicContact CG-CD2 4.28Å; L178-F350 HydrophobicContact CG-CE1 4.38Å; L178-F350 HydrophobicContact CG-CE2 3.64Å; L178-F350 HydrophobicContact CG-CZ 3.68Å; A346-F350 WeakPolarHBondContact O-CB 3.21Å; A346-F350 PolarHBondContact O-N 3.43Å; V347-F350 PolarHBondContact O-N 3.44Å; V347-F350 VanDerWaalsContact O-N 3.16Å; N348-F350 VanDerWaalsContact C-N 3.35Å; N348-F350 PolarHBondContact O-N 3.5Å; F350-Q352 PolarHBondContact O-N 3.1Å; F350-Y353 PolarHBondContact O-N 2.91Å; F350-D354 HydrophobicContact CE1-CB 4.5Å; F350-D354 PolarHBondContact O-N 3.3Å; F350-D354 VanDerWaalsContact O-N 3.07Å |
| 351 | H | 84.3 | Confident | 83.2 | Confident | 89 Ų | 89 | 62.5 Ų | 62.5 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.8 | -35.6 | 177.4 | -73.9 | -61.3 | 0 | 0 | 0 | 113 | Y174 V347 N348 Y353 D354 | Y174-H351 AromaticContact CE2-CE1 3.72Å; Y174-H351 AromaticContact CE2-NE2 3.51Å; Y174-H351 AromaticContact CZ-NE2 3.98Å; V347-H351 PolarHBondContact O-CD2 3.1Å; V347-H351 PolarHBondContact O-N 3.01Å; N348-H351 PolarHBondContact O-N 3.38Å; H351-Y353 PolarHBondContact O-N 3.23Å; H351-D354 PolarHBondContact O-N 3.28Å |
| 352 | Q | 86.1 | Confident | 84.6 | Confident | 130 Ų | 130 | 58.9 Ų | 58.9 | 61% | 0.607 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -57.5 | -34.9 | 175.3 | -174 | -177.3 | 16.3 | 0 | 0 | 112.9 | N348 M349 F350 | N348-Q352 WeakPolarHBondContact O-CB 3.36Å; N348-Q352 PolarHBondContact O-N 3.21Å; M349-Q352 PolarHBondContact O-N 3.27Å; F350-Q352 PolarHBondContact O-N 3.1Å |
| 353 | Y | 87 | Confident | 85.8 | Confident | 46 Ų | 46 | 55.8 Ų | 55.8 | 18% | 0.18 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 10.3 | -178.7 | -63.2 | -73.9 | 0 | 0 | 0 | 113.9 | P157 N158 L169 F180 M349 F350 H351 | P157-Y353 HydrophobicContact CB-CD1 4.02Å; P157-Y353 HydrophobicContact CB-CD2 3.78Å; P157-Y353 HydrophobicContact CB-CE1 3.88Å; P157-Y353 HydrophobicContact CB-CE2 3.66Å; P157-Y353 HydrophobicContact CB-CG 3.99Å; N158-Y353 PolarHBondContact OD1-OH 3.31Å; N158-Y353 VanDerWaalsContact OD1-OH 3.14Å; L169-Y353 HydrophobicContact CD1-CD2 3.93Å; L169-Y353 HydrophobicContact CD1-CG 4.5Å; F180-Y353 HydrophobicContact CE1-CD1 4.26Å; F180-Y353 HydrophobicContact CE1-CG 4.33Å; F180-Y353 HydrophobicContact CZ-CG 4.16Å; M349-Y353 VanDerWaalsContact O-CD2 3.28Å; M349-Y353 WeakPolarHBondContact O-CD2 3.48Å; M349-Y353 PolarHBondContact O-N 3.36Å; F350-Y353 PolarHBondContact O-N 2.91Å; H351-Y353 PolarHBondContact O-N 3.23Å |
| 354 | D | 86.7 | Confident | 86.7 | Confident | 21 Ų | 21 | 51 Ų | 51 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | trans | -67.8 | 147.5 | -174.3 | -160 | 14.4 | 0 | 0 | 0 | 112.5 | K218 F350 H351 | K218-D354 VanDerWaalsContact CD-OD1 3.3Å; K218-D354 WeakPolarHBondContact CD-OD1 3.5Å; K218-D354 WeakPolarHBondContact CE-OD1 3.42Å; K218-D354 IonicContact NZ-OD1 3.33Å; K218-D354 PolarHBondContact NZ-OD1 2.79Å; K218-D354 IonicContact NZ-OD2 3.11Å; K218-D354 PolarHBondContact NZ-OD2 3.26Å; F350-D354 HydrophobicContact CE1-CB 4.5Å; F350-D354 PolarHBondContact O-N 3.3Å; F350-D354 VanDerWaalsContact O-N 3.07Å; H351-D354 PolarHBondContact O-N 3.28Å | ||
| 355 | V | 86.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -112.7 | 91.6 | 179.3 | -176.8 | 0 | 0 | 0 | 0 | 107 | L178 T216 K218 S242 R244 E357 | L178-V355 HydrophobicContact CD2-CG2 4.23Å; T216-V355 HydrophobicContact CG2-CG2 3.56Å; K218-V355 HydrophobicContact CB-CB 4.34Å; K218-V355 WeakPolarHBondContact CD-O 3.19Å; S242-V355 PolarHBondContact OG-O 2.9Å; R244-V355 HydrophobicContact CB-CG1 4.2Å; R244-V355 HydrophobicContact CB-CG2 4.16Å; V355-E357 WeakPolarHBondContact CG1-O 3.34Å | ||
| 356 | L | 80.5 | Confident | 88 | Confident | 138 Ų | 138 | 54.1 Ų | 54.1 | 72% | 0.723 | 27% | 0.267 | S | S | * | . | trans | -64.4 | -41.5 | -177.2 | -57.3 | -179.4 | 0 | 0 | 0 | 111.8 | ||||
| 357 | E | 83 | Confident | 88.8 | Confident | 43 Ų | 43 | 52.4 Ų | 52.4 | 20% | 0.201 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -140.6 | 165.2 | -180 | 56.3 | 175.5 | -116.2 | 0 | 0 | 111.2 | V355 Y403 H406 W415 | V355-E357 WeakPolarHBondContact CG1-O 3.34Å; E357-Y403 WeakPolarHBondContact OE1-CD1 3.25Å; E357-H406 IonicContact OE1-CG 2.59Å; E357-H406 IonicContact OE1-ND1 3.84Å; E357-H406 PolarHBondContact OE1-ND1 2.91Å; E357-H406 IonicContact OE2-CE1 2.71Å; E357-H406 IonicContact OE2-CG 3.08Å; E357-H406 IonicContact OE2-ND1 3.42Å; E357-H406 PolarHBondContact OE2-ND1 2.77Å; E357-W415 WeakPolarHBondContact OE1-CH2 3.42Å |
| 358 | T | 88.1 | Confident | 89.4 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 18% | 0.184 | 25% | 0.251 | C | S | . | . | trans | -74.3 | 129 | 177 | -68.3 | 0 | 0 | 0 | 0 | 110.3 | S243 Y360 | S243-T358 PolarHBondContact N-OG1 3.45Å; S243-T358 CarbonylContact O-C 3.58Å; S243-T358 VanDerWaalsContact O-CA 3.24Å; S243-T358 WeakPolarHBondContact O-CA 3.32Å; T358-Y360 HydrophobicContact CG2-CE2 4.13Å | ||
| 359 | S | 92.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.014 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 142.9 | -179.1 | 68.3 | 0 | 0 | 0 | 0 | 112.4 | S243 R244 I245 H361 W402 Y403 | S243-S359 PolarHBondContact O-N 3.15Å; R244-S359 WeakPolarHBondContact CA-O 3.42Å; I245-S359 PolarHBondContact N-O 2.83Å; S359-H361 WeakPolarHBondContact CB-NE2 3.31Å; S359-H361 PolarHBondContact OG-NE2 3.03Å; S359-W402 WeakPolarHBondContact CA-O 3.45Å; S359-Y403 VanDerWaalsContact CB-CD1 3.46Å |
| 360 | Y | 94.3 | Very high | 90.2 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 34% | 0.341 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 137.2 | 176.5 | -53.4 | -82.3 | 0 | 0 | 0 | 109.3 | I245 T358 D401 W402 P404 | I245-Y360 HydrophobicContact CB-CD1 4.03Å; I245-Y360 HydrophobicContact CD1-CD1 4.13Å; I245-Y360 HydrophobicContact CD1-CE1 3.89Å; I245-Y360 HydrophobicContact CG1-CD1 4.24Å; I245-Y360 HydrophobicContact CG1-CE1 4.34Å; I245-Y360 CarbonylContact O-C 3.59Å; I245-Y360 WeakPolarHBondContact O-CA 3.31Å; T358-Y360 HydrophobicContact CG2-CE2 4.13Å; Y360-D401 CarbonylContact O-C 3.52Å; Y360-D401 WeakPolarHBondContact O-CA 3.32Å; Y360-W402 HydrophobicContact CD2-CD2 4.22Å; Y360-W402 AromaticContact CD2-CE3 3.44Å; Y360-W402 HydrophobicContact CD2-CE3 3.44Å; Y360-W402 VanDerWaalsContact CD2-CE3 3.44Å; Y360-W402 AromaticContact CD2-CZ3 3.83Å; Y360-W402 HydrophobicContact CD2-CZ3 3.83Å; Y360-W402 HydrophobicContact CE2-CE3 4.03Å; Y360-W402 AromaticContact CE2-CZ3 3.95Å; Y360-W402 HydrophobicContact CE2-CZ3 3.95Å; Y360-W402 HydrophobicContact CG-CE3 4.16Å; Y360-W402 PolarHBondContact N-O 2.98Å; Y360-W402 PolarHBondContact O-N 3Å; Y360-P404 HydrophobicContact CD2-CG 4.45Å; Y360-P404 HydrophobicContact CE2-CG 3.98Å |
| 361 | H | 96 | Very high | 90.5 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 135.3 | -178.2 | -49.7 | -89.3 | 0 | 0 | 0 | 109.1 | I245 R246 L247 S359 I400 D401 Y403 | I245-H361 PolarHBondContact O-CD2 2.77Å; I245-H361 PolarHBondContact O-N 2.82Å; R246-H361 CarbonylContact C-O 3.53Å; R246-H361 WeakPolarHBondContact CA-O 3.34Å; R246-H361 HydrophobicContact CB-CB 4.26Å; R246-H361 HydrophobicContact CG-CB 3.98Å; L247-H361 PolarHBondContact N-O 3.48Å; S359-H361 WeakPolarHBondContact CB-NE2 3.31Å; S359-H361 PolarHBondContact OG-NE2 3.03Å; H361-I400 CarbonylContact C-O 3.47Å; H361-I400 VanDerWaalsContact CA-O 3.32Å; H361-I400 WeakPolarHBondContact CA-O 3.3Å; H361-D401 IonicContact CE1-OD1 3.21Å; H361-D401 IonicContact CG-OD1 3.33Å; H361-D401 IonicContact ND1-OD1 3.94Å; H361-D401 PolarHBondContact ND1-OD1 3.44Å; H361-Y403 AromaticContact CE1-CZ 3.94Å; H361-Y403 PolarHBondContact CE1-OH 2.91Å |
| 362 | L | 96.6 | Very high | 90.6 | Very high | 44 Ų | 44 | 46 Ų | 46 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 137.6 | 169.4 | 172 | 61.3 | 0 | 0 | 0 | 108.3 | L247 L249 V364 S399 I400 | L247-L362 HydrophobicContact CB-CD1 4.09Å; L247-L362 HydrophobicContact CD2-CD1 3.84Å; L247-L362 HydrophobicContact CG-CD1 3.75Å; L247-L362 CarbonylContact O-C 3.58Å; L247-L362 WeakPolarHBondContact O-CA 3.43Å; L249-L362 HydrophobicContact CD1-CD1 3.94Å; L249-L362 HydrophobicContact CG-CD1 4.16Å; L362-V364 HydrophobicContact CD1-CG2 3.82Å; L362-V364 HydrophobicContact CD2-CG2 4.15Å; L362-V364 HydrophobicContact CG-CG2 3.93Å; L362-S399 CarbonylContact O-C 3.48Å; L362-S399 WeakPolarHBondContact O-CA 3.14Å; L362-I400 HydrophobicContact CB-CB 4.31Å; L362-I400 HydrophobicContact CD2-CD1 4.35Å; L362-I400 PolarHBondContact N-O 2.86Å; L362-I400 PolarHBondContact O-N 2.85Å |
| 363 | I | 95.5 | Very high | 90.3 | Very high | 38 Ų | 38 | 41.6 Ų | 41.6 | 20% | 0.195 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.4 | 166.6 | -58.6 | 175.6 | 0 | 0 | 0 | 107.4 | L247 I248 L249 L398 | L247-I363 PolarHBondContact O-N 2.84Å; I248-I363 WeakPolarHBondContact CA-O 3.39Å; L249-I363 PolarHBondContact N-O 2.97Å; I363-L398 CarbonylContact C-O 3.58Å; I363-L398 WeakPolarHBondContact CA-O 3.47Å |
| 364 | V | 95.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 113.9 | 174.9 | -170 | 0 | 0 | 0 | 0 | 107.9 | L249 I252 L362 R366 T367 I397 L398 | L249-V364 HydrophobicContact CB-CB 4.49Å; L249-V364 HydrophobicContact CB-CG1 4.19Å; L249-V364 HydrophobicContact CB-CG2 4.24Å; L249-V364 HydrophobicContact CD1-CG2 4.09Å; L249-V364 VanDerWaalsContact O-CA 3.3Å; L249-V364 WeakPolarHBondContact O-CA 3.06Å; I252-V364 HydrophobicContact CB-CG1 4.29Å; I252-V364 HydrophobicContact CD1-CB 4.39Å; I252-V364 HydrophobicContact CD1-CG1 3.61Å; I252-V364 HydrophobicContact CD1-CG2 3.88Å; I252-V364 HydrophobicContact CG1-CG1 3.66Å; L362-V364 HydrophobicContact CD1-CG2 3.82Å; L362-V364 HydrophobicContact CD2-CG2 4.15Å; L362-V364 HydrophobicContact CG-CG2 3.93Å; V364-R366 PolarHBondContact O-N 3.09Å; V364-T367 WeakPolarHBondContact CG1-OG1 3.38Å; V364-I397 CarbonylContact O-C 3.43Å; V364-I397 VanDerWaalsContact O-CA 3.25Å; V364-I397 WeakPolarHBondContact O-CA 3.29Å; V364-L398 HydrophobicContact CB-CB 4.37Å; V364-L398 PolarHBondContact N-O 3.09Å; V364-L398 PolarHBondContact O-N 3.41Å |
| 365 | N | 93.5 | Very high | 88.1 | Confident | 66 Ų | 66 | 43.9 Ų | 43.9 | 35% | 0.353 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | -38.8 | -173.2 | -58.7 | -28 | 0 | 0 | 0 | 112 | L249 D250 I397 | L249-N365 PolarHBondContact O-N 2.91Å; D250-N365 WeakPolarHBondContact O-CB 3.49Å; D250-N365 PolarHBondContact O-N 2.9Å; D250-N365 PolarHBondContact OD1-ND2 3.05Å; N365-I397 PolarHBondContact O-N 2.76Å |
| 366 | R | 93 | Very high | 86.5 | Confident | 122 Ų | 122 | 50.8 Ų | 50.8 | 46% | 0.46 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 129.6 | 174.8 | 171.3 | 177.3 | 170.9 | 176 | -4.5 | 111 | D250 D251 I252 V364 E368 | D250-R366 PolarHBondContact O-N 3.26Å; D251-R366 WeakPolarHBondContact CA-O 3.49Å; D251-R366 WeakPolarHBondContact OD1-CB 3.49Å; D251-R366 WeakPolarHBondContact OD1-CD 3.22Å; I252-R366 PolarHBondContact N-O 3.32Å; V364-R366 PolarHBondContact O-N 3.09Å; R366-E368 IonicContact CZ-OE2 2.66Å; R366-E368 IonicContact NE-OE2 2.7Å; R366-E368 IonicContact NH2-OE2 3.62Å; R366-E368 PolarHBondContact NH2-OE2 2.97Å |
| 367 | T | 93.6 | Very high | 84.7 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.3 | 168.5 | -48.1 | 0 | 0 | 0 | 0 | 109 | I252 V364 L369 N394 L395 | I252-T367 HydrophobicContact CB-CG2 4.13Å; I252-T367 HydrophobicContact CG2-CG2 4.17Å; I252-T367 CarbonylContact O-C 3.5Å; I252-T367 WeakPolarHBondContact O-CA 3.12Å; V364-T367 WeakPolarHBondContact CG1-OG1 3.38Å; T367-L369 HydrophobicContact CG2-CD2 3.76Å; T367-L369 HydrophobicContact CG2-CG 4.04Å; T367-N394 CarbonylContact O-C 3.6Å; T367-N394 WeakPolarHBondContact O-CA 3.32Å; T367-L395 HydrophobicContact CG2-CD1 4.37Å; T367-L395 PolarHBondContact N-O 2.81Å; T367-L395 PolarHBondContact O-N 2.77Å |
| 368 | E | 92.8 | Very high | 82.7 | Confident | 24 Ų | 24 | 59.8 Ų | 59.8 | 11% | 0.112 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 115.9 | 177.4 | -178.8 | 172.5 | 152.6 | 0 | 0 | 108.7 | I252 L253 W254 R366 H370 R392 | I252-E368 PolarHBondContact O-N 3.02Å; L253-E368 WeakPolarHBondContact CA-O 3.28Å; L253-E368 HydrophobicContact CD1-CB 3.86Å; L253-E368 HydrophobicContact CD1-CG 3.64Å; W254-E368 PolarHBondContact N-O 2.79Å; R366-E368 IonicContact CZ-OE2 2.66Å; R366-E368 IonicContact NE-OE2 2.7Å; R366-E368 IonicContact NH2-OE2 3.62Å; R366-E368 PolarHBondContact NH2-OE2 2.97Å; E368-H370 WeakPolarHBondContact CG-NE2 3.47Å; E368-H370 IonicContact OE1-CD2 2.86Å; E368-H370 IonicContact OE1-CE1 3.93Å; E368-H370 IonicContact OE1-NE2 2.73Å; E368-H370 PolarHBondContact OE1-NE2 2.92Å; E368-R392 IonicContact OE1-CZ 3.68Å; E368-R392 IonicContact OE1-NH1 3.19Å; E368-R392 PolarHBondContact OE1-NH1 3.01Å; E368-R392 IonicContact OE1-NH2 3.66Å; E368-R392 PolarHBondContact OE1-NH2 3.43Å; E368-R392 VanDerWaalsContact OE1-NH2 3.17Å; E368-R392 IonicContact OE2-CZ 3.69Å; E368-R392 IonicContact OE2-NH1 2.81Å; E368-R392 IonicContact OE2-NH2 3.72Å; E368-R392 PolarHBondContact OE2-NH2 2.7Å |
| 369 | L | 93.4 | Very high | 80.4 | Confident | 24 Ų | 24 | 63.8 Ų | 63.8 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 130.4 | -178.7 | -53 | 177.5 | 0 | 0 | 0 | 109.3 | W254 F256 T367 F371 R392 V393 | W254-L369 HydrophobicContact CB-CD2 3.81Å; W254-L369 HydrophobicContact CD2-CD2 4.35Å; W254-L369 HydrophobicContact CE3-CD2 4.01Å; W254-L369 HydrophobicContact CG-CD2 4.3Å; W254-L369 CarbonylContact O-C 3.52Å; W254-L369 WeakPolarHBondContact O-CA 3.39Å; F256-L369 HydrophobicContact CE2-CD2 4.48Å; T367-L369 HydrophobicContact CG2-CD2 3.76Å; T367-L369 HydrophobicContact CG2-CG 4.04Å; L369-F371 HydrophobicContact CB-CE2 4.04Å; L369-F371 HydrophobicContact CB-CZ 4.44Å; L369-F371 HydrophobicContact CD1-CE2 4.42Å; L369-F371 HydrophobicContact CD1-CZ 4.34Å; L369-R392 CarbonylContact O-C 3.59Å; L369-R392 WeakPolarHBondContact O-CA 3.2Å; L369-V393 HydrophobicContact CB-CB 4.28Å; L369-V393 PolarHBondContact N-O 2.96Å; L369-V393 PolarHBondContact O-N 2.89Å |
| 370 | H | 90.5 | Very high | 77.9 | Confident | 42 Ų | 42 | 73.7 Ų | 73.7 | 19% | 0.194 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 117 | 171.9 | -65 | -102.2 | 0 | 0 | 0 | 109.2 | W254 V255 F256 E368 | W254-H370 PolarHBondContact O-N 3.06Å; V255-H370 HydrophobicContact CG1-CB 4.29Å; V255-H370 HydrophobicContact CG2-CB 4.26Å; F256-H370 PolarHBondContact N-O 2.85Å; E368-H370 WeakPolarHBondContact CG-NE2 3.47Å; E368-H370 IonicContact OE1-CD2 2.86Å; E368-H370 IonicContact OE1-CE1 3.93Å; E368-H370 IonicContact OE1-NE2 2.73Å; E368-H370 PolarHBondContact OE1-NE2 2.92Å |
| 371 | F | 91.4 | Very high | 75.3 | Confident | 49 Ų | 49 | 73.5 Ų | 73.5 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.2 | 172.9 | -62.5 | -82.4 | 0 | 0 | 0 | 108.8 | F256 V261 L369 S390 M391 V393 W598 F602 | F256-F371 HydrophobicContact CB-CD1 4.25Å; F256-F371 HydrophobicContact CD2-CD1 4.48Å; F256-F371 HydrophobicContact CD2-CE1 4.04Å; F256-F371 CarbonylContact O-C 3.49Å; F256-F371 WeakPolarHBondContact O-CA 3.28Å; V261-F371 HydrophobicContact CG2-CD1 4.39Å; L369-F371 HydrophobicContact CB-CE2 4.04Å; L369-F371 HydrophobicContact CB-CZ 4.44Å; L369-F371 HydrophobicContact CD1-CE2 4.42Å; L369-F371 HydrophobicContact CD1-CZ 4.34Å; F371-S390 CarbonylContact O-C 3.57Å; F371-S390 VanDerWaalsContact O-CA 3.22Å; F371-S390 WeakPolarHBondContact O-CA 3.05Å; F371-M391 PolarHBondContact N-O 3.22Å; F371-M391 PolarHBondContact O-N 3.23Å; F371-V393 HydrophobicContact CD2-CG2 4.3Å; F371-V393 HydrophobicContact CE2-CG2 3.99Å; F371-W598 HydrophobicContact CB-CH2 3.96Å; F371-F602 HydrophobicContact CB-CZ 4.4Å; F371-F602 HydrophobicContact CD1-CE1 4.39Å; F371-F602 HydrophobicContact CD1-CZ 4.18Å |
| 372 | C | 86.6 | Confident | 72.7 | Confident | 32 Ų | 32 | 76.6 Ų | 76.6 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 133.2 | -176.4 | -63 | 0 | 0 | 0 | 0 | 110.5 | F256 T257 L258 | F256-C372 PolarHBondContact O-N 3.43Å; T257-C372 WeakPolarHBondContact CA-O 3.36Å; T257-C372 HydrophobicContact CG2-CB 4.41Å; L258-C372 PolarHBondContact N-O 2.9Å |
| 373 | D | 79.9 | Confident | 70.2 | Confident | 39 Ų | 39 | 80.1 Ų | 80.1 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | trans | -72.2 | 148.1 | 168.7 | -179.8 | 33.8 | 0 | 0 | 0 | 111 | T375 N388 G389 W598 | D373-T375 WeakPolarHBondContact OD2-CG2 3.4Å; D373-N388 PolarHBondContact OD2-N 2.82Å; D373-G389 WeakPolarHBondContact CB-O 3.34Å; D373-G389 PolarHBondContact N-O 2.94Å; D373-W598 HydrophobicContact CB-CZ2 4.31Å | ||
| 374 | E | 69.8 | Low | 68 | Low | 80 Ų | 80 | 83 Ų | 83 | 37% | 0.374 | 41% | 0.405 | S | S | . | . | trans | -121.5 | 86.2 | -174 | -119.6 | 179.4 | -166.5 | 0 | 0 | 109.4 | T257 L258 S259 | T257-E374 WeakPolarHBondContact CB-OE1 3.5Å; T257-E374 HydrophobicContact CG2-CG 4.05Å; T257-E374 WeakPolarHBondContact CG2-OE1 3.35Å; T257-E374 VanDerWaalsContact OG1-CD 3.23Å; T257-E374 PolarHBondContact OG1-OE1 2.74Å; L258-E374 HydrophobicContact CB-CB 4.48Å; S259-E374 WeakPolarHBondContact CB-OE2 3.31Å; S259-E374 PolarHBondContact N-OE2 3.14Å; S259-E374 PolarHBondContact OG-OE2 2.88Å | ||
| 375 | T | 57.1 | Low | 65.8 | Low | 35 Ų | 35 | 85 Ų | 85 | 22% | 0.215 | 42% | 0.415 | C | S | . | . | trans | -91.3 | 112.8 | 169.4 | 71.3 | 0 | 0 | 0 | 0 | 110.6 | D373 L381 P387 N388 | D373-T375 WeakPolarHBondContact OD2-CG2 3.4Å; T375-L381 HydrophobicContact CG2-CD1 4.26Å; T375-P387 HydrophobicContact CG2-CB 3.51Å; T375-P387 WeakPolarHBondContact OG1-CB 3.3Å; T375-N388 WeakPolarHBondContact CB-OD1 3.08Å; T375-N388 PolarHBondContact N-OD1 3.33Å; T375-N388 PolarHBondContact OG1-ND2 3.23Å; T375-N388 PolarHBondContact OG1-OD1 3.02Å | ||
| 376 | K | 52.7 | Low | 63.9 | Low | 145 Ų | 145 | 84.7 Ų | 84.7 | 63% | 0.63 | 42% | 0.415 | S | S | * | . | trans | -66.6 | 132.7 | 161.2 | -67.8 | 177.9 | -177.2 | 171.6 | 0 | 107.5 | K378 | K376-K378 PolarHBondContact O-N 3.02Š| ||
| 377 | E | 44.3 | Very low | 62.3 | Low | 173 Ų | 173 | 80.8 Ų | 80.8 | 81% | 0.808 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | 139 | 179 | -61.1 | -177.4 | 156.4 | 0 | 0 | 111.4 | ||
| 378 | K | 41.2 | Very low | 61.2 | Low | 197 Ų | 197 | 83 Ų | 83 | 86% | 0.857 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 6.9 | 174.6 | -49.2 | 166.3 | -175.9 | 169.6 | 0 | 118.5 | K376 K380 | K376-K378 PolarHBondContact O-N 3.02Å; K378-K380 PolarHBondContact O-N 3.34Å |
| 379 | I | 39.1 | Very low | 60.8 | Low | 113 Ų | 113 | 81.9 Ų | 81.9 | 58% | 0.579 | 41% | 0.411 | S | S | * | . | trans | -69.7 | 116 | 162.6 | -47.5 | -178.2 | 0 | 0 | 0 | 108.4 | L381 | I379-L381 HydrophobicContact CB-CG 4.32Å; I379-L381 HydrophobicContact CG2-CD1 4.5Å; I379-L381 HydrophobicContact CG2-CD2 4.36Å; I379-L381 HydrophobicContact CG2-CG 3.8Å; I379-L381 PolarHBondContact O-N 2.73Å | ||
| 380 | K | 39.2 | Very low | 60.5 | Low | 211 Ų | 211 | 82.3 Ų | 82.3 | 92% | 0.917 | 42% | 0.416 | S | S | * | . | trans | -71.6 | 63.6 | 166.5 | -72.9 | -175.7 | 175.9 | -179.4 | 0 | 110 | K378 | K378-K380 PolarHBondContact O-N 3.34Š| ||
| 381 | L | 39.1 | Very low | 60.5 | Low | 83 Ų | 83 | 80.9 Ų | 80.9 | 44% | 0.435 | 41% | 0.41 | S | S | . | . | trans | -60.5 | 156.8 | 162.5 | -75.6 | 166.2 | 0 | 0 | 0 | 108.9 | T375 I379 P383 | T375-L381 HydrophobicContact CG2-CD1 4.26Å; I379-L381 HydrophobicContact CB-CG 4.32Å; I379-L381 HydrophobicContact CG2-CD1 4.5Å; I379-L381 HydrophobicContact CG2-CD2 4.36Å; I379-L381 HydrophobicContact CG2-CG 3.8Å; I379-L381 PolarHBondContact O-N 2.73Å; L381-P383 VanDerWaalsContact O-N 3.15Å | ||
| 382 | N | 42 | Very low | 60.6 | Low | 83 Ų | 83 | 82.2 Ų | 82.2 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | trans | -52.1 | 120.6 | 177.2 | -176.2 | -27.6 | 0 | 0 | 0 | 109 | N384 I385 R918 | N382-N384 PolarHBondContact O-N 2.75Å; N382-I385 PolarHBondContact O-N 2.79Å; N382-R918 PolarHBondContact ND2-NH1 3.19Å; N382-R918 PolarHBondContact OD1-NH1 3.35Å; N382-R918 PolarHBondContact OD1-NH2 2.81Å | ||
| 383 | P | 44.3 | Very low | 61.1 | Low | 118 Ų | 118 | 81.7 Ų | 81.7 | 77% | 0.766 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -9.1 | -160.6 | 19.9 | -33.1 | 0 | 0 | 0 | 116.2 | L381 | L381-P383 VanDerWaalsContact O-N 3.15Š|
| 384 | N | 48.6 | Very low | 61.8 | Low | 99 Ų | 99 | 81.1 Ų | 81.1 | 53% | 0.529 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 9.8 | 176.7 | -10.6 | -27.6 | 0 | 0 | 0 | 113 | N382 R918 | N382-N384 PolarHBondContact O-N 2.75Å; N384-R918 VanDerWaalsContact CA-NH2 3.3Å; N384-R918 VanDerWaalsContact CB-NH2 3.28Å; N384-R918 PolarHBondContact ND2-NH1 2.87Å; N384-R918 PolarHBondContact O-NH2 3.36Å |
| 385 | I | 50.6 | Low | 63 | Low | 42 Ų | 42 | 78.5 Ų | 78.5 | 22% | 0.215 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -90.1 | 110.4 | 157.2 | -62.2 | 176.6 | 0 | 0 | 0 | 104.6 | N382 P387 R918 | N382-I385 PolarHBondContact O-N 2.79Å; I385-P387 VanDerWaalsContact O-CD 3.29Å; I385-P387 WeakPolarHBondContact O-CD 3.35Å; I385-R918 VanDerWaalsContact N-NH2 3.13Å |
| 386 | V | 53 | Low | 64.8 | Low | 60 Ų | 60 | 79.6 Ų | 79.6 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | trans | -69.3 | 117.1 | 178.7 | -176.1 | 0 | 0 | 0 | 0 | 107.5 | Y492 | V386-Y492 HydrophobicContact CB-CD1 3.57Å; V386-Y492 HydrophobicContact CB-CD2 4.31Å; V386-Y492 HydrophobicContact CB-CE1 3.75Å; V386-Y492 HydrophobicContact CB-CE2 4.46Å; V386-Y492 HydrophobicContact CB-CG 3.87Å; V386-Y492 HydrophobicContact CG1-CD1 3.54Å; V386-Y492 HydrophobicContact CG1-CD2 4.42Å; V386-Y492 HydrophobicContact CG1-CE1 4.25Å; V386-Y492 HydrophobicContact CG1-CG 3.64Å; V386-Y492 WeakPolarHBondContact O-CD1 3.45Å; V386-Y492 WeakPolarHBondContact O-CE1 3.33Å | ||
| 387 | P | 58.8 | Low | 66.9 | Low | 39 Ų | 39 | 76 Ų | 76 | 25% | 0.253 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -68.8 | 157.1 | -178.8 | 29.1 | -35.3 | 0 | 0 | 0 | 111.1 | T375 I385 | T375-P387 HydrophobicContact CG2-CB 3.51Å; T375-P387 WeakPolarHBondContact OG1-CB 3.3Å; I385-P387 VanDerWaalsContact O-CD 3.29Å; I385-P387 WeakPolarHBondContact O-CD 3.35Å |
| 388 | N | 71.4 | Confident | 69.3 | Low | 55 Ų | 55 | 69.1 Ų | 69.1 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 66.5 | 37.4 | 176 | -48.3 | -38.6 | 0 | 0 | 0 | 113.8 | D373 T375 P493 | D373-N388 PolarHBondContact OD2-N 2.82Å; T375-N388 WeakPolarHBondContact CB-OD1 3.08Å; T375-N388 PolarHBondContact N-OD1 3.33Å; T375-N388 PolarHBondContact OG1-ND2 3.23Å; T375-N388 PolarHBondContact OG1-OD1 3.02Å; N388-P493 HydrophobicContact CB-CG 4.1Å; N388-P493 WeakPolarHBondContact O-CD 3.39Å |
| 389 | G | 83 | Confident | 71.9 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -63.3 | 147 | 168 | 0 | 0 | 0 | 0 | 0 | 112.1 | D373 S491 W598 | D373-G389 WeakPolarHBondContact CB-O 3.34Å; D373-G389 PolarHBondContact N-O 2.94Å; G389-S491 CarbonylContact C-O 3.51Å; G389-S491 WeakPolarHBondContact CA-O 3.35Å; G389-W598 WeakPolarHBondContact O-CZ2 3.42Å | ||
| 390 | S | 87.7 | Confident | 74.6 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 140.8 | 176.8 | 66.2 | 0 | 0 | 0 | 0 | 112 | F371 V490 S491 | F371-S390 CarbonylContact O-C 3.57Å; F371-S390 VanDerWaalsContact O-CA 3.22Å; F371-S390 WeakPolarHBondContact O-CA 3.05Å; S390-V490 WeakPolarHBondContact O-CA 3.11Å; S390-S491 PolarHBondContact N-O 2.91Å; S390-S491 PolarHBondContact O-N 2.71Å; S390-S491 PolarHBondContact O-OG 3.09Å; S390-S491 PolarHBondContact OG-O 2.69Å; S390-S491 PolarHBondContact OG-OG 2.7Å; S390-S491 VanDerWaalsContact OG-OG 3.04Å |
| 391 | M | 91.2 | Very high | 77.2 | Confident | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.059 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.3 | -174.7 | -174.4 | 175.1 | -177.4 | 0 | 0 | 109.9 | F371 V487 F536 T595 W598 L599 | F371-M391 PolarHBondContact N-O 3.22Å; F371-M391 PolarHBondContact O-N 3.23Å; M391-V487 HydrophobicContact CE-CG1 3.25Å; M391-F536 HydrophobicContact CE-CD1 3.89Å; M391-F536 HydrophobicContact CE-CE1 4.46Å; M391-T595 HydrophobicContact CE-CG2 3.85Å; M391-T595 HydrophobicContact SD-CG2 4.21Å; M391-W598 HydrophobicContact CB-CE3 4.21Å; M391-W598 HydrophobicContact CB-CH2 3.79Å; M391-W598 HydrophobicContact CB-CZ3 3.51Å; M391-W598 HydrophobicContact CG-CZ3 4.21Å; M391-W598 HydrophobicContact SD-CE3 3.98Å; M391-W598 HydrophobicContact SD-CZ3 3.58Å; M391-W598 VanDerWaalsContact SD-CZ3 3.58Å; M391-L599 HydrophobicContact SD-CD1 4.41Å |
| 392 | R | 93.6 | Very high | 79.8 | Confident | 77 Ų | 77 | 48.2 Ų | 48.2 | 29% | 0.291 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134.2 | -174.9 | 178.7 | -175.7 | 168.5 | 120.2 | 7.4 | 110.8 | E368 L369 N394 V487 S488 | E368-R392 IonicContact OE1-CZ 3.68Å; E368-R392 IonicContact OE1-NH1 3.19Å; E368-R392 PolarHBondContact OE1-NH1 3.01Å; E368-R392 IonicContact OE1-NH2 3.66Å; E368-R392 PolarHBondContact OE1-NH2 3.43Å; E368-R392 VanDerWaalsContact OE1-NH2 3.17Å; E368-R392 IonicContact OE2-CZ 3.69Å; E368-R392 IonicContact OE2-NH1 2.81Å; E368-R392 IonicContact OE2-NH2 3.72Å; E368-R392 PolarHBondContact OE2-NH2 2.7Å; L369-R392 CarbonylContact O-C 3.59Å; L369-R392 WeakPolarHBondContact O-CA 3.2Å; R392-N394 PolarHBondContact NE-OD1 2.8Å; R392-N394 PolarHBondContact NH2-OD1 2.8Å; R392-V487 WeakPolarHBondContact O-CA 3.22Å; R392-S488 PolarHBondContact N-OG 3Å; R392-S488 PolarHBondContact O-N 3.01Å |
| 393 | V | 95.8 | Very high | 82.1 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 13% | 0.127 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124 | 173.2 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | L369 F371 L395 I485 T486 V487 | L369-V393 HydrophobicContact CB-CB 4.28Å; L369-V393 PolarHBondContact N-O 2.96Å; L369-V393 PolarHBondContact O-N 2.89Å; F371-V393 HydrophobicContact CD2-CG2 4.3Å; F371-V393 HydrophobicContact CE2-CG2 3.99Å; V393-L395 HydrophobicContact CG1-CD2 3.8Å; V393-L395 HydrophobicContact CG1-CG 4.37Å; V393-I485 HydrophobicContact CG1-CD1 4.43Å; V393-T486 WeakPolarHBondContact CA-O 3.34Å; V393-V487 HydrophobicContact CG1-CG2 4.23Å; V393-V487 HydrophobicContact CG2-CG1 4.2Å; V393-V487 HydrophobicContact CG2-CG2 4.2Å |
| 394 | N | 95.4 | Very high | 84.1 | Confident | 28 Ų | 28 | 39.4 Ų | 39.4 | 15% | 0.15 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.9 | 170.4 | -38.8 | -80.2 | 0 | 0 | 0 | 109.7 | T367 R392 I485 T486 | T367-N394 CarbonylContact O-C 3.6Å; T367-N394 WeakPolarHBondContact O-CA 3.32Å; R392-N394 PolarHBondContact NE-OD1 2.8Å; R392-N394 PolarHBondContact NH2-OD1 2.8Å; N394-I485 WeakPolarHBondContact O-CA 3.26Å; N394-T486 WeakPolarHBondContact CB-OG1 3.49Å; N394-T486 PolarHBondContact N-O 3.41Å; N394-T486 PolarHBondContact ND2-OG1 3.38Å; N394-T486 PolarHBondContact O-N 2.8Å |
| 395 | L | 96.1 | Very high | 85.7 | Confident | 25 Ų | 25 | 37.8 Ų | 37.8 | 13% | 0.131 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.5 | 174.7 | -48.2 | 177.7 | 0 | 0 | 0 | 108.1 | T367 V393 L398 L482 I485 | T367-L395 HydrophobicContact CG2-CD1 4.37Å; T367-L395 PolarHBondContact N-O 2.81Å; T367-L395 PolarHBondContact O-N 2.77Å; V393-L395 HydrophobicContact CG1-CD2 3.8Å; V393-L395 HydrophobicContact CG1-CG 4.37Å; L395-L398 HydrophobicContact CD1-CD2 4.49Å; L395-L482 HydrophobicContact CB-CD1 3.7Å; L395-L482 HydrophobicContact CD2-CD2 3.85Å; L395-I485 HydrophobicContact CD2-CB 4.5Å; L395-I485 HydrophobicContact CD2-CD1 3.79Å; L395-I485 HydrophobicContact CD2-CG1 3.86Å |
| 396 | T | 94.8 | Very high | 87 | Confident | 58 Ų | 58 | 36.4 Ų | 36.4 | 36% | 0.356 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 125 | 177.4 | -50.6 | 0 | 0 | 0 | 0 | 109.3 | L482 V483 D484 | T396-L482 WeakPolarHBondContact O-CD1 3.49Å; T396-V483 WeakPolarHBondContact O-CB 3.36Å; T396-V483 PolarHBondContact O-N 2.78Å; T396-V483 VanDerWaalsContact O-N 3.15Å; T396-D484 PolarHBondContact N-O 3.37Å; T396-D484 PolarHBondContact O-N 3.02Å; T396-D484 VanDerWaalsContact O-N 3.13Å |
| 397 | I | 95.5 | Very high | 87.7 | Confident | 69 Ų | 69 | 35.7 Ų | 35.7 | 35% | 0.354 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 47.1 | 78.6 | -176.8 | -52.4 | 166 | 0 | 0 | 0 | 111.3 | V364 N365 V483 | V364-I397 CarbonylContact O-C 3.43Å; V364-I397 VanDerWaalsContact O-CA 3.25Å; V364-I397 WeakPolarHBondContact O-CA 3.29Å; N365-I397 PolarHBondContact O-N 2.76Å; I397-V483 HydrophobicContact CB-CB 3.9Å; I397-V483 HydrophobicContact CB-CG2 3.63Å; I397-V483 HydrophobicContact CD1-CG2 4.27Å; I397-V483 HydrophobicContact CG2-CG2 3.81Å; I397-V483 PolarHBondContact O-N 2.85Å; I397-V483 VanDerWaalsContact O-N 3.09Å |
| 398 | L | 95.6 | Very high | 87.8 | Confident | 28 Ų | 28 | 37.4 Ų | 37.4 | 15% | 0.147 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 127.9 | 166.4 | 174.5 | 63.6 | 0 | 0 | 0 | 108.6 | I363 V364 L395 I400 L480 L482 | I363-L398 CarbonylContact C-O 3.58Å; I363-L398 WeakPolarHBondContact CA-O 3.47Å; V364-L398 HydrophobicContact CB-CB 4.37Å; V364-L398 PolarHBondContact N-O 3.09Å; V364-L398 PolarHBondContact O-N 3.41Å; L395-L398 HydrophobicContact CD1-CD2 4.49Å; L398-I400 HydrophobicContact CD1-CG1 4.48Å; L398-L480 HydrophobicContact CD1-CD1 4.16Å; L398-L480 HydrophobicContact CD1-CD2 4.1Å; L398-L480 HydrophobicContact CD1-CG 3.97Å; L398-L482 HydrophobicContact CB-CD1 4.21Å |
| 399 | S | 95.1 | Very high | 86.9 | Confident | 15 Ų | 15 | 40 Ų | 40 | 11% | 0.105 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.9 | 172.8 | 59.2 | 0 | 0 | 0 | 0 | 111.6 | L362 L480 R481 | L362-S399 CarbonylContact O-C 3.48Å; L362-S399 WeakPolarHBondContact O-CA 3.14Å; S399-L480 CarbonylContact O-C 3.51Å; S399-L480 WeakPolarHBondContact O-CA 3.22Å; S399-R481 PolarHBondContact N-O 3.43Å; S399-R481 PolarHBondContact O-N 3.48Å; S399-R481 WeakPolarHBondContact OG-CB 3.36Å; S399-R481 PolarHBondContact OG-O 2.86Å |
| 400 | I | 95.5 | Very high | 85.1 | Confident | 53 Ų | 53 | 43 Ų | 43 | 27% | 0.272 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 117.5 | 179.4 | -55.2 | 179.7 | 0 | 0 | 0 | 108 | H361 L362 L398 I479 L480 | H361-I400 CarbonylContact C-O 3.47Å; H361-I400 VanDerWaalsContact CA-O 3.32Å; H361-I400 WeakPolarHBondContact CA-O 3.3Å; L362-I400 HydrophobicContact CB-CB 4.31Å; L362-I400 HydrophobicContact CD2-CD1 4.35Å; L362-I400 PolarHBondContact N-O 2.86Å; L362-I400 PolarHBondContact O-N 2.85Å; L398-I400 HydrophobicContact CD1-CG1 4.48Å; I400-I479 CarbonylContact C-O 3.57Å; I400-I479 WeakPolarHBondContact CA-O 3.43Å; I400-L480 HydrophobicContact CD1-CD1 4.15Å; I400-L480 HydrophobicContact CG1-CB 4.47Å; I400-L480 HydrophobicContact CG1-CD1 4.18Å; I400-L480 HydrophobicContact CG1-CG 4.17Å |
| 401 | D | 94.3 | Very high | 83.1 | Confident | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.059 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.8 | 174.3 | -52.9 | -64.1 | 0 | 0 | 0 | 109.2 | Y360 H361 Y403 G478 I479 R481 | Y360-D401 CarbonylContact O-C 3.52Å; Y360-D401 WeakPolarHBondContact O-CA 3.32Å; H361-D401 IonicContact CE1-OD1 3.21Å; H361-D401 IonicContact CG-OD1 3.33Å; H361-D401 IonicContact ND1-OD1 3.94Å; H361-D401 PolarHBondContact ND1-OD1 3.44Å; D401-Y403 HydrophobicContact CB-CE2 3.85Å; D401-G478 CarbonylContact O-C 3.58Å; D401-G478 WeakPolarHBondContact O-CA 3.49Å; D401-I479 HydrophobicContact CB-CB 4.45Å; D401-I479 PolarHBondContact N-O 3.5Å; D401-I479 PolarHBondContact O-N 2.92Å; D401-R481 IonicContact OD2-CZ 2.73Å; D401-R481 IonicContact OD2-NE 3.53Å; D401-R481 IonicContact OD2-NH2 3.62Å; D401-R481 PolarHBondContact OD2-NH2 2.79Å |
| 402 | W | 92.9 | Very high | 81 | Confident | 87 Ų | 87 | 54.7 Ų | 54.7 | 33% | 0.33 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 126.2 | -178 | -178.4 | 43.8 | 0 | 0 | 0 | 112.1 | S359 Y360 P404 S476 | S359-W402 WeakPolarHBondContact CA-O 3.45Å; Y360-W402 HydrophobicContact CD2-CD2 4.22Å; Y360-W402 AromaticContact CD2-CE3 3.44Å; Y360-W402 HydrophobicContact CD2-CE3 3.44Å; Y360-W402 VanDerWaalsContact CD2-CE3 3.44Å; Y360-W402 AromaticContact CD2-CZ3 3.83Å; Y360-W402 HydrophobicContact CD2-CZ3 3.83Å; Y360-W402 HydrophobicContact CE2-CE3 4.03Å; Y360-W402 AromaticContact CE2-CZ3 3.95Å; Y360-W402 HydrophobicContact CE2-CZ3 3.95Å; Y360-W402 HydrophobicContact CG-CE3 4.16Å; Y360-W402 PolarHBondContact N-O 2.98Å; Y360-W402 PolarHBondContact O-N 3Å; W402-P404 HydrophobicContact CH2-CB 4.33Å; W402-P404 HydrophobicContact CZ2-CB 3.84Å; W402-S476 PolarHBondContact NE1-OG 3.04Å |
| 403 | Y | 90.3 | Very high | 79.1 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 88.6 | -176.4 | -56.8 | -85.1 | 0 | 0 | 0 | 108.1 | E357 S359 H361 D401 Y405 W415 S476 V477 | E357-Y403 WeakPolarHBondContact OE1-CD1 3.25Å; S359-Y403 VanDerWaalsContact CB-CD1 3.46Å; H361-Y403 AromaticContact CE1-CZ 3.94Å; H361-Y403 PolarHBondContact CE1-OH 2.91Å; D401-Y403 HydrophobicContact CB-CE2 3.85Å; Y403-Y405 PolarHBondContact O-N 2.89Å; Y403-W415 HydrophobicContact CD1-CE3 4.28Å; Y403-W415 AromaticContact CD1-CH2 3.36Å; Y403-W415 HydrophobicContact CD1-CH2 3.36Å; Y403-W415 AromaticContact CD1-CZ2 3.94Å; Y403-W415 HydrophobicContact CD1-CZ2 3.94Å; Y403-W415 AromaticContact CD1-CZ3 3.57Å; Y403-W415 HydrophobicContact CD1-CZ3 3.57Å; Y403-W415 HydrophobicContact CD2-CD2 4.34Å; Y403-W415 HydrophobicContact CD2-CH2 4.23Å; Y403-W415 HydrophobicContact CD2-CZ2 4.01Å; Y403-W415 HydrophobicContact CD2-CZ3 4.48Å; Y403-W415 HydrophobicContact CE1-CD2 4.3Å; Y403-W415 AromaticContact CE1-CE3 3.56Å; Y403-W415 HydrophobicContact CE1-CE3 3.56Å; Y403-W415 AromaticContact CE1-CH2 3.46Å; Y403-W415 HydrophobicContact CE1-CH2 3.46Å; Y403-W415 VanDerWaalsContact CE1-CH2 3.46Å; Y403-W415 HydrophobicContact CE1-CZ2 4.19Å; Y403-W415 AromaticContact CE1-CZ3 3.09Å; Y403-W415 HydrophobicContact CE1-CZ3 3.09Å; Y403-W415 AromaticContact CE2-CD2 3.79Å; Y403-W415 HydrophobicContact CE2-CD2 3.79Å; Y403-W415 AromaticContact CE2-CE3 3.84Å; Y403-W415 HydrophobicContact CE2-CE3 3.84Å; Y403-W415 HydrophobicContact CE2-CG 4.35Å; Y403-W415 HydrophobicContact CE2-CH2 4.31Å; Y403-W415 HydrophobicContact CE2-CZ2 4.25Å; Y403-W415 HydrophobicContact CE2-CZ3 4.11Å; Y403-W415 AromaticContact CG-CH2 3.76Å; Y403-W415 HydrophobicContact CG-CH2 3.76Å; Y403-W415 AromaticContact CG-CZ2 3.83Å; Y403-W415 HydrophobicContact CG-CZ2 3.83Å; Y403-W415 HydrophobicContact CG-CZ3 4.23Å; Y403-W415 AromaticContact CZ-CD2 3.75Å; Y403-W415 AromaticContact CZ-CE3 3.28Å; Y403-W415 AromaticContact CZ-CH2 3.93Å; Y403-W415 AromaticContact CZ-CZ3 3.39Å; Y403-S476 WeakPolarHBondContact O-CA 3.45Å; Y403-V477 PolarHBondContact N-O 2.96Å; Y403-V477 PolarHBondContact O-N 3.3Å |
| 404 | P | 87.2 | Confident | 77.1 | Confident | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.032 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | -27.2 | -169.3 | 27.5 | -39.8 | 0 | 0 | 0 | 115.2 | Y360 W402 Y561 | Y360-P404 HydrophobicContact CD2-CG 4.45Å; Y360-P404 HydrophobicContact CE2-CG 3.98Å; W402-P404 HydrophobicContact CH2-CB 4.33Å; W402-P404 HydrophobicContact CZ2-CB 3.84Å; P404-Y561 PolarHBondContact O-OH 2.85Å |
| 405 | Y | 82 | Confident | 75.7 | Confident | 66 Ų | 66 | 55 Ų | 55 | 26% | 0.259 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 36.3 | -169.4 | -49.8 | -64.9 | 0 | 0 | 0 | 111.8 | S282 K283 A286 Y403 Y561 | S282-Y405 WeakPolarHBondContact CB-OH 3.35Å; K283-Y405 HydrophobicContact CG-CE1 4.25Å; A286-Y405 HydrophobicContact CB-CD1 3.25Å; A286-Y405 HydrophobicContact CB-CD2 4.22Å; A286-Y405 HydrophobicContact CB-CE1 3.56Å; A286-Y405 HydrophobicContact CB-CE2 4.46Å; A286-Y405 HydrophobicContact CB-CG 3.67Å; Y403-Y405 PolarHBondContact O-N 2.89Å; Y405-Y561 VanDerWaalsContact CD1-OH 3.22Å; Y405-Y561 WeakPolarHBondContact CD1-OH 3.35Å |
| 406 | H | 78.9 | Confident | 74 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 146.3 | -176.4 | -176.8 | 47.8 | 0 | 0 | 0 | 111.5 | E357 D408 W415 Q475 V477 | E357-H406 IonicContact OE1-CG 2.59Å; E357-H406 IonicContact OE1-ND1 3.84Å; E357-H406 PolarHBondContact OE1-ND1 2.91Å; E357-H406 IonicContact OE2-CE1 2.71Å; E357-H406 IonicContact OE2-CG 3.08Å; E357-H406 IonicContact OE2-ND1 3.42Å; E357-H406 PolarHBondContact OE2-ND1 2.77Å; H406-D408 IonicContact NE2-OD1 2.7Å; H406-W415 AromaticContact CD2-CZ2 3.68Å; H406-W415 AromaticContact CE1-CH2 3.86Å; H406-W415 AromaticContact CE1-CZ2 3.49Å; H406-W415 VanDerWaalsContact CE1-CZ2 3.49Å; H406-W415 WeakPolarHBondContact CE1-CZ2 3.18Å; H406-W415 AromaticContact CG-CZ2 3.77Å; H406-W415 AromaticContact ND1-CH2 3.82Å; H406-W415 AromaticContact ND1-CZ2 3.63Å; H406-W415 AromaticContact NE2-CZ2 3.51Å; H406-Q475 HydrophobicContact CB-CG 4.14Å; H406-Q475 PolarHBondContact CD2-NE2 3.42Å; H406-Q475 PolarHBondContact N-O 2.89Å; H406-Q475 VanDerWaalsContact O-CG 3.26Å; H406-Q475 WeakPolarHBondContact O-CG 3.36Å; H406-Q475 PolarHBondContact O-N 3.35Å; H406-Q475 VanDerWaalsContact O-N 3.16Å; H406-V477 HydrophobicContact CB-CG2 4.21Å |
| 407 | L | 67.5 | Low | 72.4 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | trans | -121 | 116.8 | 178.5 | -77.2 | 144.8 | 0 | 0 | 0 | 108.6 | L409 L474 | L407-L409 HydrophobicContact CB-CD1 4.08Å; L407-L409 HydrophobicContact CB-CG 4.13Å; L407-L409 PolarHBondContact O-N 2.81Å; L407-L474 HydrophobicContact CD1-CD2 4.14Å; L407-L474 HydrophobicContact CD2-CD2 3.6Å; L407-L474 HydrophobicContact CG-CD2 3.61Å | ||
| 408 | D | 59.8 | Low | 70.9 | Confident | 76 Ų | 76 | 57.2 Ų | 57.2 | 41% | 0.406 | 32% | 0.323 | S | S | . | . | trans | -68.7 | 81.7 | 171.5 | -85.5 | -23.8 | 0 | 0 | 0 | 109.7 | H406 Q475 | H406-D408 IonicContact NE2-OD1 2.7Å; D408-Q475 PolarHBondContact OD1-NE2 3.22Å; D408-Q475 PolarHBondContact OD2-NE2 3.19Å; D408-Q475 VanDerWaalsContact OD2-NE2 3.08Å | ||
| 409 | L | 53 | Low | 69.7 | Low | 109 Ų | 109 | 66.5 Ų | 66.5 | 57% | 0.571 | 36% | 0.356 | S | S | * | . | trans | -96.2 | -19.8 | 174.2 | -72.2 | 164.8 | 0 | 0 | 0 | 112.5 | L407 L466 V469 | L407-L409 HydrophobicContact CB-CD1 4.08Å; L407-L409 HydrophobicContact CB-CG 4.13Å; L407-L409 PolarHBondContact O-N 2.81Å; L409-L466 HydrophobicContact CD2-CD2 4.06Å; L409-V469 HydrophobicContact CD2-CG1 4.14Å; L409-V469 HydrophobicContact CD2-CG2 4.25Å | ||
| 410 | S | 45.3 | Very low | 68.8 | Low | 63 Ų | 63 | 72.5 Ų | 72.5 | 44% | 0.441 | 38% | 0.382 | S | S | . | . | trans | -139.2 | 144.5 | -178.8 | 54.6 | 0 | 0 | 0 | 0 | 111.6 | E412 | S410-E412 VanDerWaalsContact C-N 3.27Å; S410-E412 PolarHBondContact O-N 3.47Å; S410-E412 PolarHBondContact OG-O 2.69Å; S410-E412 VanDerWaalsContact OG-O 3.1Å | ||
| 411 | P | 44.3 | Very low | 68.3 | Low | 124 Ų | 124 | 70.2 Ų | 70.2 | 81% | 0.805 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -71.6 | -23.8 | 173.5 | 30.1 | -34.9 | 0 | 0 | 0 | 112.5 | L413 | P411-L413 PolarHBondContact O-N 3.43Š|
| 412 | E | 48 | Very low | 67.7 | Low | 166 Ų | 166 | 71 Ų | 71 | 78% | 0.776 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -78.5 | 98 | 169.9 | -65.2 | -172.4 | 166.3 | 0 | 0 | 108.9 | S410 | S410-E412 VanDerWaalsContact C-N 3.27Å; S410-E412 PolarHBondContact O-N 3.47Å; S410-E412 PolarHBondContact OG-O 2.69Å; S410-E412 VanDerWaalsContact OG-O 3.1Å |
| 413 | L | 53.4 | Low | 67.1 | Low | 29 Ų | 29 | 69.7 Ų | 69.7 | 15% | 0.152 | 38% | 0.378 | C | S | . | . | trans | -72.4 | 122.8 | 171.6 | -71 | 137.6 | 0 | 0 | 0 | 108.7 | P411 W415 | P411-L413 PolarHBondContact O-N 3.43Å; L413-W415 HydrophobicContact CB-CG 4.39Å; L413-W415 PolarHBondContact O-N 3.07Å | ||
| 414 | P | 53.3 | Low | 66.7 | Low | 82 Ų | 82 | 70.4 Ų | 70.4 | 53% | 0.532 | 39% | 0.386 | S | S | . | . | trans | -79.1 | 20.6 | -174.3 | 32.5 | -35.2 | 0 | 0 | 0 | 113.5 | ||||
| 415 | W | 66.8 | Low | 66.6 | Low | 22 Ų | 22 | 70.2 Ų | 70.2 | 8% | 0.083 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -80.5 | 129.7 | -177.8 | -47.2 | 146.5 | 0 | 0 | 0 | 109.8 | E357 Y403 H406 L413 G417 I479 | E357-W415 WeakPolarHBondContact OE1-CH2 3.42Å; Y403-W415 HydrophobicContact CD1-CE3 4.28Å; Y403-W415 AromaticContact CD1-CH2 3.36Å; Y403-W415 HydrophobicContact CD1-CH2 3.36Å; Y403-W415 AromaticContact CD1-CZ2 3.94Å; Y403-W415 HydrophobicContact CD1-CZ2 3.94Å; Y403-W415 AromaticContact CD1-CZ3 3.57Å; Y403-W415 HydrophobicContact CD1-CZ3 3.57Å; Y403-W415 HydrophobicContact CD2-CD2 4.34Å; Y403-W415 HydrophobicContact CD2-CH2 4.23Å; Y403-W415 HydrophobicContact CD2-CZ2 4.01Å; Y403-W415 HydrophobicContact CD2-CZ3 4.48Å; Y403-W415 HydrophobicContact CE1-CD2 4.3Å; Y403-W415 AromaticContact CE1-CE3 3.56Å; Y403-W415 HydrophobicContact CE1-CE3 3.56Å; Y403-W415 AromaticContact CE1-CH2 3.46Å; Y403-W415 HydrophobicContact CE1-CH2 3.46Å; Y403-W415 VanDerWaalsContact CE1-CH2 3.46Å; Y403-W415 HydrophobicContact CE1-CZ2 4.19Å; Y403-W415 AromaticContact CE1-CZ3 3.09Å; Y403-W415 HydrophobicContact CE1-CZ3 3.09Å; Y403-W415 AromaticContact CE2-CD2 3.79Å; Y403-W415 HydrophobicContact CE2-CD2 3.79Å; Y403-W415 AromaticContact CE2-CE3 3.84Å; Y403-W415 HydrophobicContact CE2-CE3 3.84Å; Y403-W415 HydrophobicContact CE2-CG 4.35Å; Y403-W415 HydrophobicContact CE2-CH2 4.31Å; Y403-W415 HydrophobicContact CE2-CZ2 4.25Å; Y403-W415 HydrophobicContact CE2-CZ3 4.11Å; Y403-W415 AromaticContact CG-CH2 3.76Å; Y403-W415 HydrophobicContact CG-CH2 3.76Å; Y403-W415 AromaticContact CG-CZ2 3.83Å; Y403-W415 HydrophobicContact CG-CZ2 3.83Å; Y403-W415 HydrophobicContact CG-CZ3 4.23Å; Y403-W415 AromaticContact CZ-CD2 3.75Å; Y403-W415 AromaticContact CZ-CE3 3.28Å; Y403-W415 AromaticContact CZ-CH2 3.93Å; Y403-W415 AromaticContact CZ-CZ3 3.39Å; H406-W415 AromaticContact CD2-CZ2 3.68Å; H406-W415 AromaticContact CE1-CH2 3.86Å; H406-W415 AromaticContact CE1-CZ2 3.49Å; H406-W415 VanDerWaalsContact CE1-CZ2 3.49Å; H406-W415 WeakPolarHBondContact CE1-CZ2 3.18Å; H406-W415 AromaticContact CG-CZ2 3.77Å; H406-W415 AromaticContact ND1-CH2 3.82Å; H406-W415 AromaticContact ND1-CZ2 3.63Å; H406-W415 AromaticContact NE2-CZ2 3.51Å; L413-W415 HydrophobicContact CB-CG 4.39Å; L413-W415 PolarHBondContact O-N 3.07Å; W415-G417 PolarHBondContact O-N 3.2Å; W415-G417 VanDerWaalsContact O-N 3.13Å; W415-I479 HydrophobicContact CB-CD1 3.94Å; W415-I479 HydrophobicContact CG-CD1 3.88Å |
| 416 | P | 60.1 | Low | 66.4 | Low | 91 Ų | 91 | 69.5 Ų | 69.5 | 59% | 0.591 | 39% | 0.385 | S | S | * | . | trans | -60.6 | 119.4 | 171.2 | -18.9 | 30.8 | 0 | 0 | 0 | 108.7 | R481 | P416-R481 PolarHBondContact O-NH1 3.46Š| ||
| 417 | G | 61.4 | Low | 66.4 | Low | 47 Ų | 47 | 71.4 Ų | 71.4 | 49% | 0.485 | 40% | 0.396 | S | S | . | . | trans | -172.2 | 168.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | W415 | W415-G417 PolarHBondContact O-N 3.2Å; W415-G417 VanDerWaalsContact O-N 3.13Å | ||
| 418 | C | 63.8 | Low | 67.1 | Low | 61 Ų | 61 | 69.6 Ų | 69.6 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | trans | -75.9 | 129 | 176 | -170.2 | 0 | 0 | 0 | 0 | 110.4 | E420 F421 H422 | C418-E420 PolarHBondContact O-N 2.97Å; C418-F421 HydrophobicContact CB-CB 4.22Å; C418-F421 PolarHBondContact O-N 2.72Å; C418-H422 PolarHBondContact O-N 3.39Å | ||
| 419 | R | 71.7 | Confident | 67.9 | Low | 222 Ų | 222 | 67.5 Ų | 67.5 | 84% | 0.838 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -57.3 | -32.9 | 176.3 | -174.9 | -179.7 | -68.9 | -144.8 | -2.4 | 112 | S423 | R419-S423 WeakPolarHBondContact O-CB 3.44Å; R419-S423 PolarHBondContact O-N 2.98Å |
| 420 | E | 76 | Confident | 68.9 | Low | 141 Ų | 141 | 68.5 Ų | 68.5 | 66% | 0.659 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -68.8 | -45.9 | 179.9 | -60 | 172.2 | 170.1 | 0 | 0 | 111.7 | C418 H422 S423 A424 | C418-E420 PolarHBondContact O-N 2.97Å; E420-H422 PolarHBondContact O-N 2.79Å; E420-S423 WeakPolarHBondContact O-CB 3.38Å; E420-S423 PolarHBondContact O-N 3.14Å; E420-A424 PolarHBondContact O-N 3.2Å |
| 421 | F | 84.6 | Confident | 69.8 | Low | 6 Ų | 6 | 65.7 Ų | 65.7 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57 | -48.8 | 176.1 | 172.5 | -94.7 | 0 | 0 | 0 | 111.7 | C418 S423 A424 R425 T554 E556 F581 Q583 | C418-F421 HydrophobicContact CB-CB 4.22Å; C418-F421 PolarHBondContact O-N 2.72Å; F421-S423 PolarHBondContact O-N 3.19Å; F421-A424 PolarHBondContact O-N 3.49Å; F421-R425 VanDerWaalsContact O-CB 3.31Å; F421-R425 WeakPolarHBondContact O-CB 3.33Å; F421-R425 PolarHBondContact O-N 3.49Å; F421-T554 HydrophobicContact CD1-CG2 4.08Å; F421-T554 HydrophobicContact CD2-CG2 3.78Å; F421-T554 HydrophobicContact CE1-CG2 3.83Å; F421-T554 HydrophobicContact CE2-CG2 3.49Å; F421-T554 VanDerWaalsContact CE2-CG2 3.49Å; F421-T554 HydrophobicContact CG-CG2 4.07Å; F421-T554 HydrophobicContact CZ-CG2 3.53Å; F421-E556 HydrophobicContact CE1-CB 4.07Å; F421-E556 HydrophobicContact CZ-CB 3.79Å; F421-F581 HydrophobicContact CD2-CD1 4.07Å; F421-F581 AromaticContact CD2-CE1 3.8Å; F421-F581 HydrophobicContact CD2-CE1 3.8Å; F421-F581 HydrophobicContact CE1-CD1 4.48Å; F421-F581 AromaticContact CE2-CD1 3.42Å; F421-F581 HydrophobicContact CE2-CD1 3.42Å; F421-F581 VanDerWaalsContact CE2-CD1 3.42Å; F421-F581 AromaticContact CE2-CE1 3.62Å; F421-F581 HydrophobicContact CE2-CE1 3.62Å; F421-F581 AromaticContact CZ-CD1 3.65Å; F421-F581 HydrophobicContact CZ-CD1 3.65Å; F421-F581 HydrophobicContact CZ-CE1 4.23Å; F421-Q583 HydrophobicContact CD2-CB 3.73Å; F421-Q583 HydrophobicContact CE2-CB 4.04Å |
| 422 | H | 81.1 | Confident | 70.9 | Confident | 27 Ų | 27 | 60.4 Ų | 60.4 | 13% | 0.125 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 177.4 | -66.1 | -40.9 | 0 | 0 | 0 | 111.9 | C418 E420 R425 D426 E556 | C418-H422 PolarHBondContact O-N 3.39Å; E420-H422 PolarHBondContact O-N 2.79Å; H422-R425 PolarHBondContact ND1-NH1 2.71Å; H422-D426 VanDerWaalsContact O-CB 3.27Å; H422-D426 WeakPolarHBondContact O-CB 3.41Å; H422-D426 PolarHBondContact O-N 2.93Å; H422-E556 IonicContact ND1-OE2 3.37Å |
| 423 | S | 81.3 | Confident | 71.4 | Confident | 60 Ų | 60 | 55.1 Ų | 55.1 | 42% | 0.42 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 174.2 | -175.4 | 0 | 0 | 0 | 0 | 112.4 | R419 E420 F421 D426 N427 | R419-S423 WeakPolarHBondContact O-CB 3.44Å; R419-S423 PolarHBondContact O-N 2.98Å; E420-S423 WeakPolarHBondContact O-CB 3.38Å; E420-S423 PolarHBondContact O-N 3.14Å; F421-S423 PolarHBondContact O-N 3.19Å; S423-D426 PolarHBondContact O-N 3.34Å; S423-N427 WeakPolarHBondContact O-CB 3.42Å; S423-N427 PolarHBondContact O-N 3.46Å; S423-N427 PolarHBondContact O-ND2 2.83Å |
| 424 | A | 80.9 | Confident | 71.3 | Confident | 24 Ų | 24 | 55.9 Ų | 55.9 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61 | -50.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E420 F421 D426 N427 W428 F581 | E420-A424 PolarHBondContact O-N 3.2Å; F421-A424 PolarHBondContact O-N 3.49Å; A424-D426 PolarHBondContact O-N 3.21Å; A424-N427 PolarHBondContact O-N 3Å; A424-W428 PolarHBondContact O-N 3.32Å; A424-F581 HydrophobicContact CB-CE1 4.42Å; A424-F581 HydrophobicContact CB-CZ 3.92Å |
| 425 | R | 84.7 | Confident | 70.8 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -52.7 | -50.3 | 172.9 | -179 | -156 | 66.2 | -155.2 | -11 | 111.8 | F421 H422 N427 W428 L429 E556 F581 | F421-R425 VanDerWaalsContact O-CB 3.31Å; F421-R425 WeakPolarHBondContact O-CB 3.33Å; F421-R425 PolarHBondContact O-N 3.49Å; H422-R425 PolarHBondContact ND1-NH1 2.71Å; R425-N427 VanDerWaalsContact C-N 3.34Å; R425-N427 PolarHBondContact O-N 3.16Å; R425-W428 WeakPolarHBondContact O-CB 3.19Å; R425-W428 PolarHBondContact O-N 3.02Å; R425-L429 HydrophobicContact CG-CD1 3.91Å; R425-L429 HydrophobicContact CG-CG 4.38Å; R425-L429 WeakPolarHBondContact O-CG 3.42Å; R425-L429 PolarHBondContact O-N 3.5Å; R425-E556 VanDerWaalsContact CD-CD 3.43Å; R425-E556 VanDerWaalsContact CD-OE1 3.24Å; R425-E556 WeakPolarHBondContact CD-OE1 3.46Å; R425-E556 VanDerWaalsContact CD-OE2 3.24Å; R425-E556 WeakPolarHBondContact CD-OE2 3.3Å; R425-E556 IonicContact CZ-OE1 2.76Å; R425-E556 IonicContact CZ-OE2 2.72Å; R425-E556 IonicContact NE-OE1 3.18Å; R425-E556 IonicContact NE-OE2 3.59Å; R425-E556 VanDerWaalsContact NH1-CD 3.3Å; R425-E556 IonicContact NH1-OE1 3.75Å; R425-E556 PolarHBondContact NH1-OE1 2.93Å; R425-E556 VanDerWaalsContact NH1-OE1 3.09Å; R425-E556 IonicContact NH1-OE2 3.69Å; R425-E556 PolarHBondContact NH1-OE2 3.45Å; R425-F581 HydrophobicContact CB-CD1 3.65Å; R425-F581 HydrophobicContact CB-CD2 4.46Å; R425-F581 HydrophobicContact CB-CE1 3.85Å; R425-F581 HydrophobicContact CB-CG 3.98Å; R425-F581 HydrophobicContact CB-CZ 4.36Å; R425-F581 HydrophobicContact CG-CB 4.09Å; R425-F581 HydrophobicContact CG-CD1 4.05Å; R425-F581 HydrophobicContact CG-CG 4Å |
| 426 | D | 79.2 | Confident | 69.7 | Low | 50 Ų | 50 | 56.1 Ų | 56.1 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.9 | -31.1 | -175 | -68.6 | -18.5 | 0 | 0 | 0 | 112.4 | H422 S423 A424 K430 | H422-D426 VanDerWaalsContact O-CB 3.27Å; H422-D426 WeakPolarHBondContact O-CB 3.41Å; H422-D426 PolarHBondContact O-N 2.93Å; S423-D426 PolarHBondContact O-N 3.34Å; A424-D426 PolarHBondContact O-N 3.21Å; D426-K430 WeakPolarHBondContact O-CB 3.28Å; D426-K430 VanDerWaalsContact O-CD 3.25Å; D426-K430 WeakPolarHBondContact O-CD 3.42Å; D426-K430 WeakPolarHBondContact O-CG 3.42Å; D426-K430 PolarHBondContact O-N 3.07Å |
| 427 | N | 79 | Confident | 69.1 | Low | 53 Ų | 53 | 53.7 Ų | 53.7 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -68 | -39.6 | 172.1 | -65.3 | -29.6 | 0 | 0 | 0 | 111.3 | S423 A424 R425 K430 G431 | S423-N427 WeakPolarHBondContact O-CB 3.42Å; S423-N427 PolarHBondContact O-N 3.46Å; S423-N427 PolarHBondContact O-ND2 2.83Å; A424-N427 PolarHBondContact O-N 3Å; R425-N427 VanDerWaalsContact C-N 3.34Å; R425-N427 PolarHBondContact O-N 3.16Å; N427-K430 PolarHBondContact OD1-NZ 3.01Å; N427-G431 PolarHBondContact O-N 3.02Å |
| 428 | W | 81.7 | Confident | 68 | Low | 7 Ų | 7 | 53.6 Ų | 53.6 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 172.5 | 170.5 | 61 | 0 | 0 | 0 | 113.1 | A424 R425 K430 G431 I432 F581 H636 R638 | A424-W428 PolarHBondContact O-N 3.32Å; R425-W428 WeakPolarHBondContact O-CB 3.19Å; R425-W428 PolarHBondContact O-N 3.02Å; W428-K430 VanDerWaalsContact C-N 3.29Å; W428-K430 PolarHBondContact O-N 2.89Å; W428-G431 WeakPolarHBondContact O-CA 3.46Å; W428-G431 PolarHBondContact O-N 3.42Å; W428-I432 HydrophobicContact CD2-CD1 4.15Å; W428-I432 HydrophobicContact CH2-CD1 4.33Å; W428-I432 HydrophobicContact CZ2-CD1 3.52Å; W428-I432 PolarHBondContact O-N 3.28Å; W428-F581 HydrophobicContact CD2-CD2 4.15Å; W428-F581 HydrophobicContact CE3-CB 4.23Å; W428-F581 AromaticContact CE3-CD2 3.59Å; W428-F581 HydrophobicContact CE3-CD2 3.59Å; W428-F581 HydrophobicContact CE3-CE2 4.42Å; W428-F581 HydrophobicContact CE3-CG 4.26Å; W428-F581 HydrophobicContact CZ3-CB 3.87Å; W428-F581 AromaticContact CZ3-CD2 3.99Å; W428-F581 HydrophobicContact CZ3-CD2 3.99Å; W428-F581 HydrophobicContact CZ3-CG 4.38Å; W428-H636 HydrophobicContact CH2-CB 4.11Å; W428-H636 HydrophobicContact CZ2-CB 3.97Å; W428-R638 HydrophobicContact CD2-CB 3.9Å; W428-R638 HydrophobicContact CD2-CG 4.46Å; W428-R638 VanDerWaalsContact CE2-CB 3.43Å; W428-R638 HydrophobicContact CE3-CB 4.39Å; W428-R638 HydrophobicContact CG-CB 4.41Å; W428-R638 HydrophobicContact CH2-CB 4.05Å; W428-R638 HydrophobicContact CZ2-CB 3.51Å; W428-R638 HydrophobicContact CZ3-CB 4.47Å |
| 429 | L | 77 | Confident | 66.6 | Low | 32 Ų | 32 | 54.9 Ų | 54.9 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -35.2 | 177.8 | -70.2 | 175.1 | 0 | 0 | 0 | 112 | R425 | R425-L429 HydrophobicContact CG-CD1 3.91Å; R425-L429 HydrophobicContact CG-CG 4.38Å; R425-L429 WeakPolarHBondContact O-CG 3.42Å; R425-L429 PolarHBondContact O-N 3.5Å |
| 430 | K | 72.7 | Confident | 64.8 | Low | 130 Ų | 130 | 48 Ų | 48 | 57% | 0.565 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.4 | -43.2 | 168.8 | -72.9 | 161.3 | -164.1 | 161.1 | 0 | 111.6 | D426 N427 W428 I432 N433 | D426-K430 WeakPolarHBondContact O-CB 3.28Å; D426-K430 VanDerWaalsContact O-CD 3.25Å; D426-K430 WeakPolarHBondContact O-CD 3.42Å; D426-K430 WeakPolarHBondContact O-CG 3.42Å; D426-K430 PolarHBondContact O-N 3.07Å; N427-K430 PolarHBondContact OD1-NZ 3.01Å; W428-K430 VanDerWaalsContact C-N 3.29Å; W428-K430 PolarHBondContact O-N 2.89Å; K430-I432 PolarHBondContact O-N 3.24Å; K430-N433 PolarHBondContact O-N 2.92Å; K430-N433 VanDerWaalsContact O-N 3.08Å |
| 431 | G | 65.9 | Low | 62.6 | Low | 4 Ų | 4 | 44.9 Ų | 44.9 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -33.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N427 W428 N433 H688 | N427-G431 PolarHBondContact O-N 3.02Å; W428-G431 WeakPolarHBondContact O-CA 3.46Å; W428-G431 PolarHBondContact O-N 3.42Å; G431-N433 PolarHBondContact O-N 3.44Å; G431-H688 PolarHBondContact O-CD2 3.1Å |
| 432 | I | 67 | Low | 60.1 | Low | 13 Ų | 13 | 54.6 Ų | 54.6 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.8 | -20.1 | 173.9 | -68.6 | 172.9 | 0 | 0 | 0 | 112.1 | W428 K430 H636 L681 S686 | W428-I432 HydrophobicContact CD2-CD1 4.15Å; W428-I432 HydrophobicContact CH2-CD1 4.33Å; W428-I432 HydrophobicContact CZ2-CD1 3.52Å; W428-I432 PolarHBondContact O-N 3.28Å; K430-I432 PolarHBondContact O-N 3.24Å; I432-H636 HydrophobicContact CD1-CB 3.92Å; I432-L681 HydrophobicContact CD1-CD2 4.25Å; I432-L681 HydrophobicContact CG1-CD2 4.39Å; I432-S686 WeakPolarHBondContact O-CB 3.39Å; I432-S686 PolarHBondContact O-OG 2.66Å |
| 433 | N | 58.8 | Low | 57.6 | Low | 55 Ų | 55 | 60.2 Ų | 60.2 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | trans | 63.5 | 111.7 | -173.8 | -167.5 | -5.4 | 0 | 0 | 0 | 113.2 | K430 G431 I435 H688 | K430-N433 PolarHBondContact O-N 2.92Å; K430-N433 VanDerWaalsContact O-N 3.08Å; G431-N433 PolarHBondContact O-N 3.44Å; N433-I435 PolarHBondContact O-N 3.38Å; N433-H688 HydrophobicContact CB-CB 4.26Å | ||
| 434 | P | 49.9 | Very low | 55.5 | Low | 45 Ų | 45 | 60 Ų | 60 | 29% | 0.292 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -73 | 30.9 | -169 | 29.9 | -37.3 | 0 | 0 | 0 | 116.3 | H436 F437 | P434-H436 PolarHBondContact O-N 2.93Å; P434-F437 HydrophobicContact CB-CD2 3.57Å; P434-F437 HydrophobicContact CB-CE2 4.14Å; P434-F437 PolarHBondContact O-N 3.38Å |
| 435 | I | 43.1 | Very low | 53.1 | Low | 81 Ų | 81 | 64.7 Ų | 64.7 | 42% | 0.415 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -55.1 | -30.3 | 166.7 | -57.1 | 177.8 | 0 | 0 | 0 | 110.2 | N433 F437 T438 | N433-I435 PolarHBondContact O-N 3.38Å; I435-F437 PolarHBondContact O-N 3.25Å; I435-F437 VanDerWaalsContact O-N 3.11Å; I435-T438 PolarHBondContact O-N 2.84Å; I435-T438 PolarHBondContact O-OG1 2.84Å |
| 436 | H | 44.5 | Very low | 50.2 | Low | 27 Ų | 27 | 68.5 Ų | 68.5 | 13% | 0.125 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -56.7 | -18.7 | 171 | -71.6 | -61.8 | 0 | 0 | 0 | 116.1 | P434 P577 P684 | P434-H436 PolarHBondContact O-N 2.93Å; H436-P577 HydrophobicContact CB-CG 3.53Å; H436-P684 PolarHBondContact CE1-O 2.92Å; H436-P684 PolarHBondContact NE2-O 2.58Å |
| 437 | F | 46.6 | Very low | 47.7 | Very low | 40 Ų | 40 | 71.6 Ų | 71.6 | 18% | 0.175 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -104.1 | 0.5 | 174.3 | -52.7 | -48 | 0 | 0 | 0 | 112.9 | P434 I435 Y439 V444 Y560 | P434-F437 HydrophobicContact CB-CD2 3.57Å; P434-F437 HydrophobicContact CB-CE2 4.14Å; P434-F437 PolarHBondContact O-N 3.38Å; I435-F437 PolarHBondContact O-N 3.25Å; I435-F437 VanDerWaalsContact O-N 3.11Å; F437-Y439 PolarHBondContact O-N 2.97Å; F437-V444 WeakPolarHBondContact O-CG2 3.24Å; F437-Y560 HydrophobicContact CD1-CD1 4.15Å; F437-Y560 HydrophobicContact CD1-CD2 4.2Å; F437-Y560 HydrophobicContact CD1-CE1 4.17Å; F437-Y560 HydrophobicContact CD1-CE2 4.22Å; F437-Y560 HydrophobicContact CD1-CG 4.16Å; F437-Y560 HydrophobicContact CE1-CD1 4.11Å; F437-Y560 AromaticContact CE1-CD2 3.45Å; F437-Y560 HydrophobicContact CE1-CD2 3.45Å; F437-Y560 VanDerWaalsContact CE1-CD2 3.45Å; F437-Y560 AromaticContact CE1-CE1 3.96Å; F437-Y560 HydrophobicContact CE1-CE1 3.96Å; F437-Y560 AromaticContact CE1-CE2 3.27Å; F437-Y560 HydrophobicContact CE1-CE2 3.27Å; F437-Y560 AromaticContact CE1-CG 3.87Å; F437-Y560 HydrophobicContact CE1-CG 3.87Å; F437-Y560 AromaticContact CE1-CZ 3.54Å; F437-Y560 HydrophobicContact CZ-CD2 4.15Å; F437-Y560 HydrophobicContact CZ-CE1 4.34Å; F437-Y560 AromaticContact CZ-CE2 3.49Å; F437-Y560 HydrophobicContact CZ-CE2 3.49Å; F437-Y560 VanDerWaalsContact CZ-CE2 3.49Å; F437-Y560 AromaticContact CZ-CZ 3.6Å |
| 438 | T | 38.8 | Very low | 45.1 | Very low | 46 Ų | 46 | 76.1 Ų | 76.1 | 28% | 0.282 | 42% | 0.416 | S | S | . | . | trans | -87.4 | 89.3 | 179.4 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | I435 K443 | I435-T438 PolarHBondContact O-N 2.84Å; I435-T438 PolarHBondContact O-OG1 2.84Å; T438-K443 HydrophobicContact CG2-CG 4.46Å | ||
| 439 | Y | 34.9 | Very low | 42.4 | Very low | 87 Ų | 87 | 79.5 Ų | 79.5 | 34% | 0.341 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -75.4 | 130.5 | 173.1 | -156 | -98.7 | 0 | 0 | 0 | 110.9 | F437 G441 C562 | F437-Y439 PolarHBondContact O-N 2.97Å; Y439-G441 PolarHBondContact O-N 2.83Å; Y439-C562 HydrophobicContact CE2-CB 4.47Å |
| 440 | G | 33.6 | Very low | 39.8 | Very low | 77 Ų | 77 | 83.9 Ų | 83.9 | 79% | 0.794 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | 66.8 | 26.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | R442 | G440-R442 PolarHBondContact O-N 3Å; G440-R442 VanDerWaalsContact O-N 3.17Å |
| 441 | G | 29.2 | Very low | 37.4 | Very low | 76 Ų | 76 | 83.4 Ų | 83.4 | 78% | 0.784 | 48% | 0.482 | S | S | * | . | G | 310 helix | trans | 74.6 | -0.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y439 | Y439-G441 PolarHBondContact O-N 2.83Š|
| 442 | R | 32.5 | Very low | 35.5 | Very low | 211 Ų | 211 | 89.3 Ų | 89.3 | 80% | 0.796 | 52% | 0.517 | S | S | * | . | trans | -87.6 | 121.4 | 165.2 | -78 | -176 | 170.9 | -172.6 | -3.6 | 109.2 | G440 V444 | G440-R442 PolarHBondContact O-N 3Å; G440-R442 VanDerWaalsContact O-N 3.17Å; R442-V444 PolarHBondContact O-N 2.74Å | ||
| 443 | K | 28.8 | Very low | 33.5 | Very low | 145 Ų | 145 | 93.6 Ų | 93.6 | 63% | 0.63 | 55% | 0.548 | S | S | * | . | trans | -61.3 | 126.3 | 168 | -73.5 | -176 | 175.1 | -178.6 | 0 | 108.9 | T438 F445 | T438-K443 HydrophobicContact CG2-CG 4.46Å; K443-F445 WeakPolarHBondContact CB-O 3.24Å; K443-F445 PolarHBondContact O-N 2.88Å | ||
| 444 | V | 36.5 | Very low | 31.8 | Very low | 54 Ų | 54 | 97.1 Ų | 97.1 | 33% | 0.327 | 57% | 0.572 | S | S | . | * | S | Bend | trans | -62.8 | -24.5 | 168 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | F437 R442 | F437-V444 WeakPolarHBondContact O-CG2 3.24Å; R442-V444 PolarHBondContact O-N 2.74Å |
| 445 | F | 30.6 | Very low | 30.6 | Very low | 124 Ų | 124 | 101.8 Ų | 101.8 | 54% | 0.544 | 59% | 0.594 | S | S | . | * | trans | -116.2 | 103.7 | 173.2 | -61.5 | -74.9 | 0 | 0 | 0 | 112 | K443 T447 | K443-F445 WeakPolarHBondContact CB-O 3.24Å; K443-F445 PolarHBondContact O-N 2.88Å; F445-T447 PolarHBondContact O-N 2.77Å | ||
| 446 | S | 25 | Very low | 29.7 | Very low | 81 Ų | 81 | 104.8 Ų | 104.8 | 57% | 0.566 | 61% | 0.611 | S | S | * | * | trans | -86.1 | 80.2 | 168.1 | 175.5 | 0 | 0 | 0 | 0 | 110.6 | N448 | S446-N448 PolarHBondContact O-N 3.24Š| ||
| 447 | T | 26 | Very low | 28.6 | Very low | 116 Ų | 116 | 111.6 Ų | 111.6 | 71% | 0.712 | 64% | 0.643 | S | S | * | * | trans | -81.3 | 56.2 | 172.4 | 59.7 | 0 | 0 | 0 | 0 | 111.7 | F445 S449 | F445-T447 PolarHBondContact O-N 2.77Å; T447-S449 PolarHBondContact O-N 2.82Å | ||
| 448 | N | 23.6 | Very low | 27.4 | Very low | 148 Ų | 148 | 118.8 Ų | 118.8 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | -94.3 | 70 | 173.1 | -79.6 | 7.7 | 0 | 0 | 0 | 110.1 | S446 | S446-N448 PolarHBondContact O-N 3.24Š| ||
| 449 | S | 25.5 | Very low | 26.6 | Very low | 78 Ų | 78 | 123 Ų | 123 | 55% | 0.545 | 70% | 0.7 | S | S | . | * | trans | -153.2 | 95.1 | 161.1 | -173.8 | 0 | 0 | 0 | 0 | 110 | T447 T451 | T447-S449 PolarHBondContact O-N 2.82Å; S449-T451 VanDerWaalsContact C-N 3.34Å | ||
| 450 | S | 23 | Very low | 26 | Very low | 123 Ų | 123 | 125 Ų | 125 | 86% | 0.86 | 72% | 0.716 | S | S | * | * | trans | -102.6 | 35.4 | 168.5 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 451 | T | 22.6 | Very low | 25.4 | Very low | 120 Ų | 120 | 129.2 Ų | 129.2 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | trans | -153.9 | 81.6 | 179.4 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | S449 | S449-T451 VanDerWaalsContact C-N 3.34Š| ||
| 452 | V | 25.8 | Very low | 25.1 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | trans | -131.8 | 111.3 | 160.2 | -175.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 453 | S | 24.2 | Very low | 24.7 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | -64.1 | 145.2 | 170.5 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | D455 | S453-D455 PolarHBondContact O-N 2.99Š| ||
| 454 | T | 24.1 | Very low | 24.5 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -58.8 | 114.6 | 161 | 47.9 | 0 | 0 | 0 | 0 | 109.6 | ||
| 455 | D | 23.5 | Very low | 24 | Very low | 142 Ų | 142 | 127.9 Ų | 127.9 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | trans | -180 | 143.2 | 137.4 | -89 | -20.7 | 0 | 0 | 0 | 111.8 | S453 | S453-D455 PolarHBondContact O-N 2.99Š| ||
| 456 | N | 24.3 | Very low | 23.8 | Very low | 144 Ų | 144 | 125.8 Ų | 125.8 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | trans | 64.6 | 103.7 | 163.2 | -60.2 | -28.3 | 0 | 0 | 0 | 120.7 | ||||
| 457 | Q | 21.2 | Very low | 24 | Very low | 171 Ų | 171 | 131 Ų | 131 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | 21.5 | 141.1 | 128 | -63.6 | -177.9 | -13.3 | 0 | 0 | 121.2 | |||||
| 458 | F | 21.6 | Very low | 24.4 | Very low | 191 Ų | 191 | 129.7 Ų | 129.7 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | trans | 67.3 | 71.1 | 167.2 | -71.5 | -79.1 | 0 | 0 | 0 | 117.4 | I460 | F458-I460 PolarHBondContact O-N 2.99Š| ||
| 459 | V | 21.6 | Very low | 25.3 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -83.9 | 102.3 | 155.4 | -178.6 | 0 | 0 | 0 | 0 | 109 | L461 | V459-L461 PolarHBondContact O-N 3.22Š| ||
| 460 | I | 22.4 | Very low | 26.4 | Very low | 129 Ų | 129 | 124.5 Ų | 124.5 | 66% | 0.662 | 71% | 0.705 | S | S | * | * | trans | -58.2 | 131.3 | 162.3 | -65.8 | 168.7 | 0 | 0 | 0 | 107.5 | F458 D462 | F458-I460 PolarHBondContact O-N 2.99Å; I460-D462 PolarHBondContact O-N 2.82Å | ||
| 461 | L | 22.1 | Very low | 27.7 | Very low | 165 Ų | 165 | 120.2 Ų | 120.2 | 86% | 0.864 | 67% | 0.673 | S | S | * | * | trans | -73.5 | 69.8 | 175.1 | -79.2 | 88.8 | 0 | 0 | 0 | 111 | V459 | V459-L461 PolarHBondContact O-N 3.22Š| ||
| 462 | D | 22.9 | Very low | 29.4 | Very low | 143 Ų | 143 | 114.7 Ų | 114.7 | 77% | 0.765 | 64% | 0.639 | S | S | * | * | trans | -68.5 | 139.3 | 164.4 | -99 | -37.9 | 0 | 0 | 0 | 110.2 | I460 G464 | I460-D462 PolarHBondContact O-N 2.82Å; D462-G464 PolarHBondContact O-N 2.75Å | ||
| 463 | C | 24.8 | Very low | 31.3 | Very low | 102 Ų | 102 | 109.8 Ų | 109.8 | 69% | 0.689 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -77.4 | 42.1 | -160.1 | -68.6 | 0 | 0 | 0 | 0 | 115.5 | L466 | C463-L466 HydrophobicContact CB-CD1 4.34Š|
| 464 | G | 23.9 | Very low | 33.6 | Very low | 62 Ų | 62 | 105 Ų | 105 | 64% | 0.639 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -75.5 | -22.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | D462 | D462-G464 PolarHBondContact O-N 2.75Š|
| 465 | L | 25.7 | Very low | 36.3 | Very low | 151 Ų | 151 | 99.1 Ų | 99.1 | 79% | 0.791 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -85.2 | -5.7 | -174.8 | -72.2 | 174 | 0 | 0 | 0 | 115 | Q467 | L465-Q467 VanDerWaalsContact C-N 3.27Å; L465-Q467 PolarHBondContact O-N 3.49Å |
| 466 | L | 26.4 | Very low | 39.4 | Very low | 79 Ų | 79 | 92.9 Ų | 92.9 | 41% | 0.414 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -71.8 | -14.1 | -176.9 | -75.7 | 168.1 | 0 | 0 | 0 | 114.4 | L297 L409 C463 T468 V469 | L297-L466 HydrophobicContact CD1-CD1 4.42Å; L409-L466 HydrophobicContact CD2-CD2 4.06Å; C463-L466 HydrophobicContact CB-CD1 4.34Å; L466-T468 PolarHBondContact O-N 3.04Å; L466-V469 HydrophobicContact CD2-CG2 4.39Å |
| 467 | Q | 28.2 | Very low | 42.4 | Very low | 190 Ų | 190 | 86 Ų | 86 | 89% | 0.888 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -70.7 | -11.2 | -179.9 | -80.2 | -170 | -11.5 | 0 | 0 | 114.9 | L465 | L465-Q467 VanDerWaalsContact C-N 3.27Å; L465-Q467 PolarHBondContact O-N 3.49Å |
| 468 | T | 36.3 | Very low | 45.8 | Very low | 90 Ų | 90 | 77.9 Ų | 77.9 | 55% | 0.552 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -119.7 | -0.8 | -179.8 | 48.3 | 0 | 0 | 0 | 0 | 115.4 | L466 N470 | L466-T468 PolarHBondContact O-N 3.04Å; T468-N470 PolarHBondContact O-N 2.87Å; T468-N470 VanDerWaalsContact O-N 3.15Å |
| 469 | V | 41.9 | Very low | 49.1 | Very low | 52 Ų | 52 | 69.1 Ų | 69.1 | 32% | 0.315 | 39% | 0.393 | S | S | . | . | trans | -71.3 | 111.3 | 174.9 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | L409 L466 T471 | L409-V469 HydrophobicContact CD2-CG1 4.14Å; L409-V469 HydrophobicContact CD2-CG2 4.25Å; L466-V469 HydrophobicContact CD2-CG2 4.39Å; V469-T471 PolarHBondContact O-N 3.08Å | ||
| 470 | N | 47.8 | Very low | 52.6 | Low | 65 Ų | 65 | 64.8 Ų | 64.8 | 35% | 0.348 | 37% | 0.365 | S | S | . | . | trans | -75.2 | 93.2 | 177.9 | -175.3 | 15.9 | 0 | 0 | 0 | 110.6 | T468 S472 I473 | T468-N470 PolarHBondContact O-N 2.87Å; T468-N470 VanDerWaalsContact O-N 3.15Å; N470-S472 PolarHBondContact ND2-OG 2.91Å; N470-S472 PolarHBondContact O-N 2.84Å; N470-S472 VanDerWaalsContact OD1-CB 3.32Å; N470-S472 WeakPolarHBondContact OD1-CB 3.45Å; N470-S472 PolarHBondContact OD1-N 2.91Å; N470-S472 PolarHBondContact OD1-OG 3.4Å; N470-S472 VanDerWaalsContact OD1-OG 3.11Å; N470-I473 PolarHBondContact O-N 2.66Å; N470-I473 VanDerWaalsContact O-N 3.13Å | ||
| 471 | T | 50.7 | Low | 56.1 | Low | 32 Ų | 32 | 61.1 Ų | 61.1 | 20% | 0.196 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 1.9 | 179.1 | 59.2 | 0 | 0 | 0 | 0 | 114.2 | T294 V469 I473 | T294-T471 HydrophobicContact CG2-CG2 4.33Å; V469-T471 PolarHBondContact O-N 3.08Å; T471-I473 VanDerWaalsContact C-N 3.3Å |
| 472 | S | 58.5 | Low | 59.6 | Low | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.028 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.6 | 167.9 | 90.4 | 0 | 0 | 0 | 0 | 113.6 | N470 C562 V563 D564 | N470-S472 PolarHBondContact ND2-OG 2.91Å; N470-S472 PolarHBondContact O-N 2.84Å; N470-S472 VanDerWaalsContact OD1-CB 3.32Å; N470-S472 WeakPolarHBondContact OD1-CB 3.45Å; N470-S472 PolarHBondContact OD1-N 2.91Å; N470-S472 PolarHBondContact OD1-OG 3.4Å; N470-S472 VanDerWaalsContact OD1-OG 3.11Å; S472-C562 CarbonylContact O-C 3.59Å; S472-C562 WeakPolarHBondContact O-CA 3.4Å; S472-C562 PolarHBondContact OG-SG 2.93Å; S472-C562 VanDerWaalsContact OG-SG 3.38Å; S472-V563 WeakPolarHBondContact O-CG2 3.04Å; S472-V563 PolarHBondContact O-N 2.83Å; S472-D564 WeakPolarHBondContact CB-OD2 3.24Å |
| 473 | I | 65.3 | Low | 63 | Low | 26 Ų | 26 | 47.9 Ų | 47.9 | 13% | 0.133 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.3 | -178.3 | -53.9 | 176.4 | 0 | 0 | 0 | 109.3 | N470 T471 L576 | N470-I473 PolarHBondContact O-N 2.66Å; N470-I473 VanDerWaalsContact O-N 3.13Å; T471-I473 VanDerWaalsContact C-N 3.3Å; I473-L576 HydrophobicContact CD1-CD2 4.38Å; I473-L576 HydrophobicContact CG2-CD2 4.42Å |
| 474 | L | 73.5 | Confident | 66.3 | Low | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 155.8 | 169.9 | -69 | 173.4 | 0 | 0 | 0 | 109 | A286 A287 L407 Y561 | A286-L474 HydrophobicContact CB-CD1 4.33Å; A287-L474 HydrophobicContact CB-CD1 4.02Å; L407-L474 HydrophobicContact CD1-CD2 4.14Å; L407-L474 HydrophobicContact CD2-CD2 3.6Å; L407-L474 HydrophobicContact CG-CD2 3.61Å; L474-Y561 HydrophobicContact CB-CD2 4.2Å; L474-Y561 HydrophobicContact CB-CE1 4.24Å; L474-Y561 HydrophobicContact CB-CE2 3.51Å; L474-Y561 HydrophobicContact CD1-CE2 3.99Å; L474-Y561 HydrophobicContact CG-CE2 4.34Å; L474-Y561 PolarHBondContact N-O 2.92Å; L474-Y561 VanDerWaalsContact N-O 3.07Å; L474-Y561 PolarHBondContact O-N 3.18Å |
| 475 | Q | 80.6 | Confident | 69.7 | Low | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.019 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142.5 | 172.6 | 54.7 | 174 | -9.3 | 0 | 0 | 111.4 | H406 D408 V477 N559 Y560 | H406-Q475 HydrophobicContact CB-CG 4.14Å; H406-Q475 PolarHBondContact CD2-NE2 3.42Å; H406-Q475 PolarHBondContact N-O 2.89Å; H406-Q475 VanDerWaalsContact O-CG 3.26Å; H406-Q475 WeakPolarHBondContact O-CG 3.36Å; H406-Q475 PolarHBondContact O-N 3.35Å; H406-Q475 VanDerWaalsContact O-N 3.16Å; D408-Q475 PolarHBondContact OD1-NE2 3.22Å; D408-Q475 PolarHBondContact OD2-NE2 3.19Å; D408-Q475 VanDerWaalsContact OD2-NE2 3.08Å; Q475-V477 HydrophobicContact CB-CG2 4.44Å; Q475-V477 HydrophobicContact CG-CG2 3.96Å; Q475-N559 WeakPolarHBondContact CA-O 3.42Å; Q475-Y560 HydrophobicContact CB-CD1 3.95Å; Q475-Y560 HydrophobicContact CB-CE1 4.03Å |
| 476 | S | 87.3 | Confident | 73 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 109.1 | 163.6 | 163.5 | 0 | 0 | 0 | 0 | 107.2 | W402 Y403 N559 | W402-S476 PolarHBondContact NE1-OG 3.04Å; Y403-S476 WeakPolarHBondContact O-CA 3.45Å; S476-N559 PolarHBondContact N-O 3.19Å; S476-N559 PolarHBondContact O-N 3.34Å |
| 477 | V | 88.4 | Confident | 76.3 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.8 | 174.8 | -171 | 0 | 0 | 0 | 0 | 108.5 | Y403 H406 Q475 I479 E556 F557 K558 | Y403-V477 PolarHBondContact N-O 2.96Å; Y403-V477 PolarHBondContact O-N 3.3Å; H406-V477 HydrophobicContact CB-CG2 4.21Å; Q475-V477 HydrophobicContact CB-CG2 4.44Å; Q475-V477 HydrophobicContact CG-CG2 3.96Å; V477-I479 HydrophobicContact CG1-CG1 4.44Å; V477-E556 HydrophobicContact CG1-CG 4.29Å; V477-F557 WeakPolarHBondContact CA-O 3.23Å; V477-K558 HydrophobicContact CB-CG 4.47Å; V477-K558 HydrophobicContact CG1-CG 4.07Å; V477-K558 HydrophobicContact CG2-CG 4.11Å |
| 478 | G | 91.5 | Very high | 79.4 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 150.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D401 E556 F557 | D401-G478 CarbonylContact O-C 3.58Å; D401-G478 WeakPolarHBondContact O-CA 3.49Å; G478-E556 WeakPolarHBondContact O-CA 3.25Å; G478-F557 VanDerWaalsContact CA-CE1 3.45Å; G478-F557 VanDerWaalsContact CA-CZ 3.43Å; G478-F557 PolarHBondContact N-O 2.72Å; G478-F557 VanDerWaalsContact O-CD1 3.25Å; G478-F557 WeakPolarHBondContact O-CD1 3.36Å; G478-F557 PolarHBondContact O-N 2.74Å |
| 479 | I | 92.2 | Very high | 82 | Confident | 7 Ų | 7 | 23 Ų | 23 | 4% | 0.036 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 116.9 | -169.8 | -56.7 | 173.6 | 0 | 0 | 0 | 106.9 | I400 D401 W415 V477 R481 T554 I555 E556 | I400-I479 CarbonylContact C-O 3.57Å; I400-I479 WeakPolarHBondContact CA-O 3.43Å; D401-I479 HydrophobicContact CB-CB 4.45Å; D401-I479 PolarHBondContact N-O 3.5Å; D401-I479 PolarHBondContact O-N 2.92Å; W415-I479 HydrophobicContact CB-CD1 3.94Å; W415-I479 HydrophobicContact CG-CD1 3.88Å; V477-I479 HydrophobicContact CG1-CG1 4.44Å; I479-R481 HydrophobicContact CG2-CG 4.14Å; I479-T554 HydrophobicContact CG2-CG2 4.45Å; I479-I555 CarbonylContact C-O 3.6Å; I479-I555 VanDerWaalsContact CA-O 3.28Å; I479-I555 WeakPolarHBondContact CA-O 3.39Å; I479-E556 HydrophobicContact CG1-CG 4.41Å |
| 480 | L | 95 | Very high | 84.3 | Confident | 44 Ų | 44 | 21.3 Ų | 21.3 | 23% | 0.23 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 132.1 | 170.1 | -179.5 | 154.1 | 0 | 0 | 0 | 108.3 | L398 S399 I400 L553 T554 I555 | L398-L480 HydrophobicContact CD1-CD1 4.16Å; L398-L480 HydrophobicContact CD1-CD2 4.1Å; L398-L480 HydrophobicContact CD1-CG 3.97Å; S399-L480 CarbonylContact O-C 3.51Å; S399-L480 WeakPolarHBondContact O-CA 3.22Å; I400-L480 HydrophobicContact CD1-CD1 4.15Å; I400-L480 HydrophobicContact CG1-CB 4.47Å; I400-L480 HydrophobicContact CG1-CD1 4.18Å; I400-L480 HydrophobicContact CG1-CG 4.17Å; L480-L553 HydrophobicContact CD2-CD2 4.25Å; L480-T554 CarbonylContact O-C 3.57Å; L480-T554 WeakPolarHBondContact O-CA 3.3Å; L480-I555 HydrophobicContact CB-CB 4.34Å; L480-I555 HydrophobicContact CD2-CD1 4.32Å; L480-I555 HydrophobicContact CD2-CG1 4.49Å; L480-I555 PolarHBondContact N-O 3.39Å; L480-I555 PolarHBondContact O-N 2.78Å |
| 481 | R | 94.5 | Very high | 86.1 | Confident | 53 Ų | 53 | 21.1 Ų | 21.1 | 20% | 0.2 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 139 | 172.3 | -66.1 | 172.2 | -71.2 | -171.9 | -11.8 | 110.3 | S399 D401 P416 I479 L553 T554 | S399-R481 PolarHBondContact N-O 3.43Å; S399-R481 PolarHBondContact O-N 3.48Å; S399-R481 WeakPolarHBondContact OG-CB 3.36Å; S399-R481 PolarHBondContact OG-O 2.86Å; D401-R481 IonicContact OD2-CZ 2.73Å; D401-R481 IonicContact OD2-NE 3.53Å; D401-R481 IonicContact OD2-NH2 3.62Å; D401-R481 PolarHBondContact OD2-NH2 2.79Å; P416-R481 PolarHBondContact O-NH1 3.46Å; I479-R481 HydrophobicContact CG2-CG 4.14Å; R481-L553 CarbonylContact C-O 3.57Å; R481-L553 VanDerWaalsContact CA-O 3.3Å; R481-L553 WeakPolarHBondContact CA-O 3.47Å; R481-T554 HydrophobicContact CG-CG2 3.91Å |
| 482 | L | 96.2 | Very high | 87.5 | Confident | 6 Ų | 6 | 22.4 Ų | 22.4 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 131.5 | 173.1 | 177.8 | 63.7 | 0 | 0 | 0 | 108.5 | L395 T396 L398 D484 I485 S551 F552 L553 | L395-L482 HydrophobicContact CB-CD1 3.7Å; L395-L482 HydrophobicContact CD2-CD2 3.85Å; T396-L482 WeakPolarHBondContact O-CD1 3.49Å; L398-L482 HydrophobicContact CB-CD1 4.21Å; L482-D484 WeakPolarHBondContact CD1-O 3.25Å; L482-D484 WeakPolarHBondContact CG-O 3.41Å; L482-I485 HydrophobicContact CD2-CB 3.96Å; L482-I485 HydrophobicContact CD2-CD1 4.45Å; L482-S551 CarbonylContact O-C 3.51Å; L482-S551 WeakPolarHBondContact O-CA 3.39Å; L482-F552 HydrophobicContact CD2-CD1 4.44Å; L482-F552 PolarHBondContact O-N 3.03Å; L482-L553 HydrophobicContact CB-CB 4.22Å; L482-L553 PolarHBondContact N-O 2.93Å; L482-L553 PolarHBondContact O-N 3.05Å; L482-L553 VanDerWaalsContact O-N 3.14Å |
| 483 | V | 94.6 | Very high | 87.9 | Confident | 23 Ų | 23 | 25.4 Ų | 25.4 | 14% | 0.139 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | -41.9 | 179.1 | 174.1 | 0 | 0 | 0 | 0 | 111.3 | T396 I397 K541 D548 F552 | T396-V483 WeakPolarHBondContact O-CB 3.36Å; T396-V483 PolarHBondContact O-N 2.78Å; T396-V483 VanDerWaalsContact O-N 3.15Å; I397-V483 HydrophobicContact CB-CB 3.9Å; I397-V483 HydrophobicContact CB-CG2 3.63Å; I397-V483 HydrophobicContact CD1-CG2 4.27Å; I397-V483 HydrophobicContact CG2-CG2 3.81Å; I397-V483 PolarHBondContact O-N 2.85Å; I397-V483 VanDerWaalsContact O-N 3.09Å; V483-K541 VanDerWaalsContact O-CE 3.27Å; V483-K541 WeakPolarHBondContact O-CE 3.27Å; V483-K541 PolarHBondContact O-NZ 3.11Å; V483-D548 WeakPolarHBondContact CG1-O 3.11Å; V483-F552 WeakPolarHBondContact O-CB 3.4Å; V483-F552 PolarHBondContact O-N 3.44Å |
| 484 | D | 94.8 | Very high | 87.3 | Confident | 39 Ų | 39 | 28.8 Ų | 28.8 | 21% | 0.209 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 156.3 | 177.7 | -165.7 | 21.4 | 0 | 0 | 0 | 112.9 | T396 L482 S539 | T396-D484 PolarHBondContact N-O 3.37Å; T396-D484 PolarHBondContact O-N 3.02Å; T396-D484 VanDerWaalsContact O-N 3.13Å; L482-D484 WeakPolarHBondContact CD1-O 3.25Å; L482-D484 WeakPolarHBondContact CG-O 3.41Å; D484-S539 WeakPolarHBondContact OD1-CB 3.38Å; D484-S539 PolarHBondContact OD1-OG 2.87Å |
| 485 | I | 95.1 | Very high | 85.9 | Confident | 31 Ų | 31 | 34.8 Ų | 34.8 | 16% | 0.159 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 138.8 | 175.6 | -170.5 | 162.9 | 0 | 0 | 0 | 110.6 | V393 N394 L395 L482 V487 G538 F552 | V393-I485 HydrophobicContact CG1-CD1 4.43Å; N394-I485 WeakPolarHBondContact O-CA 3.26Å; L395-I485 HydrophobicContact CD2-CB 4.5Å; L395-I485 HydrophobicContact CD2-CD1 3.79Å; L395-I485 HydrophobicContact CD2-CG1 3.86Å; L482-I485 HydrophobicContact CD2-CB 3.96Å; L482-I485 HydrophobicContact CD2-CD1 4.45Å; I485-V487 HydrophobicContact CD1-CG2 4.12Å; I485-V487 HydrophobicContact CG1-CG2 4.05Å; I485-G538 WeakPolarHBondContact O-CA 3.29Å; I485-F552 HydrophobicContact CB-CD1 4.38Å; I485-F552 HydrophobicContact CB-CE1 4.3Å; I485-F552 HydrophobicContact CG2-CD1 3.69Å; I485-F552 HydrophobicContact CG2-CD2 4.33Å; I485-F552 HydrophobicContact CG2-CE1 3.29Å; I485-F552 HydrophobicContact CG2-CE2 3.92Å; I485-F552 HydrophobicContact CG2-CG 4.21Å; I485-F552 HydrophobicContact CG2-CZ 3.41Å; I485-F552 VanDerWaalsContact CG2-CZ 3.41Å |
| 486 | T | 93.4 | Very high | 83.7 | Confident | 34 Ų | 34 | 41.4 Ų | 41.4 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 135.4 | 163.4 | 50.2 | 0 | 0 | 0 | 0 | 109.8 | V393 N394 L535 | V393-T486 WeakPolarHBondContact CA-O 3.34Å; N394-T486 WeakPolarHBondContact CB-OG1 3.49Å; N394-T486 PolarHBondContact N-O 3.41Å; N394-T486 PolarHBondContact ND2-OG1 3.38Å; N394-T486 PolarHBondContact O-N 2.8Å; T486-L535 HydrophobicContact CG2-CD1 4.46Å; T486-L535 HydrophobicContact CG2-CD2 4.49Å |
| 487 | V | 96.3 | Very high | 81 | Confident | 8 Ų | 8 | 45.3 Ų | 45.3 | 5% | 0.048 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 124.7 | -180 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | M391 R392 V393 I485 L535 F536 I537 | M391-V487 HydrophobicContact CE-CG1 3.25Å; R392-V487 WeakPolarHBondContact O-CA 3.22Å; V393-V487 HydrophobicContact CG1-CG2 4.23Å; V393-V487 HydrophobicContact CG2-CG1 4.2Å; V393-V487 HydrophobicContact CG2-CG2 4.2Å; I485-V487 HydrophobicContact CD1-CG2 4.12Å; I485-V487 HydrophobicContact CG1-CG2 4.05Å; V487-L535 CarbonylContact O-C 3.53Å; V487-L535 WeakPolarHBondContact O-CA 3.43Å; V487-F536 HydrophobicContact CG1-CB 4.4Å; V487-F536 HydrophobicContact CG1-CD1 4.25Å; V487-F536 PolarHBondContact O-N 2.84Å; V487-I537 HydrophobicContact CB-CB 3.86Å; V487-I537 HydrophobicContact CB-CG1 4.25Å; V487-I537 HydrophobicContact CG2-CB 3.92Å; V487-I537 HydrophobicContact CG2-CD1 4.41Å; V487-I537 HydrophobicContact CG2-CG1 4.44Å; V487-I537 PolarHBondContact N-O 2.88Å; V487-I537 PolarHBondContact O-N 3.27Å |
| 488 | S | 93.9 | Very high | 78.2 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 156 | 175.9 | 79.6 | 0 | 0 | 0 | 0 | 111.6 | R392 N534 | R392-S488 PolarHBondContact N-OG 3Å; R392-S488 PolarHBondContact O-N 3.01Å; S488-N534 CarbonylContact C-O 3.49Å; S488-N534 WeakPolarHBondContact CA-O 3.15Å; S488-N534 WeakPolarHBondContact CB-O 3.26Å |
| 489 | C | 91.4 | Very high | 75.5 | Confident | 17 Ų | 17 | 60.8 Ų | 60.8 | 12% | 0.115 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 159.9 | 156 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | N534 T595 | C489-N534 PolarHBondContact N-O 2.84Å; C489-T595 VanDerWaalsContact CA-OG1 3.28Å; C489-T595 WeakPolarHBondContact CA-OG1 3.33Å; C489-T595 WeakPolarHBondContact CB-OG1 3.37Å |
| 490 | V | 90.4 | Very high | 72.6 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 10% | 0.103 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 137.8 | 173.3 | 68.9 | 0 | 0 | 0 | 0 | 110.6 | S390 Y492 D594 T595 W598 | S390-V490 WeakPolarHBondContact O-CA 3.11Å; V490-Y492 HydrophobicContact CG1-CE2 3.77Å; V490-Y492 HydrophobicContact CG2-CE1 4.13Å; V490-Y492 HydrophobicContact CG2-CE2 4.39Å; V490-D594 HydrophobicContact CG1-CB 4.18Å; V490-T595 PolarHBondContact N-OG1 2.66Å; V490-W598 HydrophobicContact CB-CB 4.34Å; V490-W598 HydrophobicContact CB-CD2 4.42Å; V490-W598 HydrophobicContact CB-CG 4.32Å; V490-W598 HydrophobicContact CG1-CB 4.28Å; V490-W598 HydrophobicContact CG2-CB 4.12Å; V490-W598 HydrophobicContact CG2-CD2 3.73Å; V490-W598 HydrophobicContact CG2-CE3 4.27Å; V490-W598 HydrophobicContact CG2-CG 3.64Å |
| 491 | S | 85.1 | Confident | 69.4 | Low | 61 Ų | 61 | 67.1 Ų | 67.1 | 43% | 0.427 | 38% | 0.378 | S | S | . | . | B | Isolated β-bridge | trans | -120.3 | 140.3 | 175.4 | 62.4 | 0 | 0 | 0 | 0 | 110 | G389 S390 | G389-S491 CarbonylContact C-O 3.51Å; G389-S491 WeakPolarHBondContact CA-O 3.35Å; S390-S491 PolarHBondContact N-O 2.91Å; S390-S491 PolarHBondContact O-N 2.71Å; S390-S491 PolarHBondContact O-OG 3.09Å; S390-S491 PolarHBondContact OG-O 2.69Å; S390-S491 PolarHBondContact OG-OG 2.7Å; S390-S491 VanDerWaalsContact OG-OG 3.04Å |
| 492 | Y | 79.1 | Confident | 66.2 | Low | 60 Ų | 60 | 70.3 Ų | 70.3 | 24% | 0.235 | 41% | 0.405 | C | S | . | . | trans | -113.9 | 143 | -179.5 | -58.8 | -77.8 | 0 | 0 | 0 | 110.1 | V386 V490 N494 | V386-Y492 HydrophobicContact CB-CD1 3.57Å; V386-Y492 HydrophobicContact CB-CD2 4.31Å; V386-Y492 HydrophobicContact CB-CE1 3.75Å; V386-Y492 HydrophobicContact CB-CE2 4.46Å; V386-Y492 HydrophobicContact CB-CG 3.87Å; V386-Y492 HydrophobicContact CG1-CD1 3.54Å; V386-Y492 HydrophobicContact CG1-CD2 4.42Å; V386-Y492 HydrophobicContact CG1-CE1 4.25Å; V386-Y492 HydrophobicContact CG1-CG 3.64Å; V386-Y492 WeakPolarHBondContact O-CD1 3.45Å; V386-Y492 WeakPolarHBondContact O-CE1 3.33Å; V490-Y492 HydrophobicContact CG1-CE2 3.77Å; V490-Y492 HydrophobicContact CG2-CE1 4.13Å; V490-Y492 HydrophobicContact CG2-CE2 4.39Å; Y492-N494 PolarHBondContact O-N 2.87Å | ||
| 493 | P | 67.8 | Low | 62.8 | Low | 66 Ų | 66 | 74.2 Ų | 74.2 | 43% | 0.429 | 43% | 0.434 | S | S | . | . | trans | -65.3 | 136 | 178.3 | 26.2 | -34.2 | 0 | 0 | 0 | 111.1 | N388 F495 | N388-P493 HydrophobicContact CB-CG 4.1Å; N388-P493 WeakPolarHBondContact O-CD 3.39Å; P493-F495 PolarHBondContact O-N 3.4Å | ||
| 494 | N | 53.2 | Low | 59.5 | Low | 97 Ų | 97 | 76.3 Ų | 76.3 | 52% | 0.519 | 45% | 0.446 | S | S | . | . | trans | -67.8 | 101.2 | 177.6 | -58.4 | -10.7 | 0 | 0 | 0 | 109.3 | Y492 V496 S507 | Y492-N494 PolarHBondContact O-N 2.87Å; N494-V496 PolarHBondContact O-N 3.41Å; N494-S507 WeakPolarHBondContact OD1-CB 3.49Å; N494-S507 PolarHBondContact OD1-OG 3.41Å | ||
| 495 | F | 42.2 | Very low | 56.1 | Low | 131 Ų | 131 | 81.3 Ų | 81.3 | 58% | 0.575 | 47% | 0.472 | S | S | * | . | trans | -59.5 | 112.4 | 169.2 | -81.8 | -87.7 | 0 | 0 | 0 | 109 | P493 L497 | P493-F495 PolarHBondContact O-N 3.4Å; F495-L497 HydrophobicContact CB-CD1 4.43Å; F495-L497 HydrophobicContact CB-CG 4.27Å; F495-L497 PolarHBondContact O-N 2.91Å | ||
| 496 | V | 35.2 | Very low | 52.8 | Low | 142 Ų | 142 | 87.8 Ų | 87.8 | 86% | 0.861 | 50% | 0.5 | S | S | * | . | trans | -74 | 72.9 | 172.2 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | N494 | N494-V496 PolarHBondContact O-N 3.41Š| ||
| 497 | L | 31.6 | Very low | 49.6 | Very low | 94 Ų | 94 | 88 Ų | 88 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | trans | -68.8 | 143.7 | 170.3 | -75.1 | 162.8 | 0 | 0 | 0 | 109.2 | F495 T504 | F495-L497 HydrophobicContact CB-CD1 4.43Å; F495-L497 HydrophobicContact CB-CG 4.27Å; F495-L497 PolarHBondContact O-N 2.91Å; L497-T504 HydrophobicContact CD1-CG2 3.8Å; L497-T504 VanDerWaalsContact CD1-OG1 3.28Å; L497-T504 WeakPolarHBondContact CD1-OG1 3.36Å | ||
| 498 | K | 29.5 | Very low | 46.2 | Very low | 184 Ų | 184 | 97.1 Ų | 97.1 | 80% | 0.8 | 54% | 0.542 | S | S | * | . | trans | -60.2 | 143.2 | -177.5 | -68.6 | 175.9 | 177 | 177.7 | 0 | 110.1 | G500 | K498-G500 PolarHBondContact O-N 3.05Š| ||
| 499 | P | 33.3 | Very low | 42.9 | Very low | 141 Ų | 141 | 98.5 Ų | 98.5 | 92% | 0.916 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 112.3 | 173.9 | 27.5 | -33.1 | 0 | 0 | 0 | 109.1 | ||
| 500 | G | 32.2 | Very low | 40.1 | Very low | 68 Ų | 68 | 102.5 Ų | 102.5 | 70% | 0.701 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169.9 | -40.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K498 P502 | K498-G500 PolarHBondContact O-N 3.05Å; G500-P502 WeakPolarHBondContact O-CD 3.25Å |
| 501 | D | 27.5 | Very low | 37.1 | Very low | 116 Ų | 116 | 109.7 Ų | 109.7 | 62% | 0.62 | 61% | 0.612 | S | S | * | * | trans | -93.6 | 119.2 | -178.1 | -69.2 | -43.7 | 0 | 0 | 0 | 112.1 | S503 | D501-S503 PolarHBondContact O-N 3.21Å; D501-S503 VanDerWaalsContact O-N 3.14Å | ||
| 502 | P | 27.1 | Very low | 34.4 | Very low | 119 Ų | 119 | 111.3 Ų | 111.3 | 77% | 0.773 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -68.5 | -9.5 | -177.5 | -22.4 | 34.4 | 0 | 0 | 0 | 115.5 | G500 | G500-P502 WeakPolarHBondContact O-CD 3.25Š|
| 503 | S | 25 | Very low | 32.1 | Very low | 89 Ų | 89 | 114 Ų | 114 | 62% | 0.622 | 64% | 0.638 | S | S | * | * | G | 310 helix | trans | -86.8 | -2.6 | -165.6 | 48.2 | 0 | 0 | 0 | 0 | 116 | D501 | D501-S503 PolarHBondContact O-N 3.21Å; D501-S503 VanDerWaalsContact O-N 3.14Å |
| 504 | T | 26 | Very low | 30.3 | Very low | 67 Ų | 67 | 117 Ų | 117 | 41% | 0.411 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -135.4 | 40.9 | -172.8 | 56.5 | 0 | 0 | 0 | 0 | 115 | L497 F506 | L497-T504 HydrophobicContact CD1-CG2 3.8Å; L497-T504 VanDerWaalsContact CD1-OG1 3.28Å; L497-T504 WeakPolarHBondContact CD1-OG1 3.36Å; T504-F506 PolarHBondContact O-N 3.49Å |
| 505 | L | 23.3 | Very low | 29.6 | Very low | 144 Ų | 144 | 117.8 Ų | 117.8 | 75% | 0.754 | 65% | 0.653 | S | S | * | * | trans | -73 | 37.4 | 168.2 | -82.8 | 167.8 | 0 | 0 | 0 | 113.5 | ||||
| 506 | F | 25 | Very low | 29.6 | Very low | 166 Ų | 166 | 115.4 Ų | 115.4 | 73% | 0.728 | 64% | 0.642 | S | S | * | * | trans | -103.3 | 90.9 | 180 | -64 | -75.4 | 0 | 0 | 0 | 110.6 | T504 | T504-F506 PolarHBondContact O-N 3.49Š| ||
| 507 | S | 26.8 | Very low | 30 | Very low | 40 Ų | 40 | 109.8 Ų | 109.8 | 28% | 0.28 | 61% | 0.606 | S | S | . | * | S | Bend | trans | 163.4 | -29.2 | 150 | 45.8 | 0 | 0 | 0 | 0 | 115.7 | N494 S509 | N494-S507 WeakPolarHBondContact OD1-CB 3.49Å; N494-S507 PolarHBondContact OD1-OG 3.41Å; S507-S509 PolarHBondContact O-N 2.65Å |
| 508 | K | 24 | Very low | 30.4 | Very low | 199 Ų | 199 | 109 Ų | 109 | 87% | 0.865 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -71.5 | -1.2 | -168.5 | -80.2 | -170 | 174.5 | -177.4 | 0 | 116.4 | ||
| 509 | S | 26.2 | Very low | 31 | Very low | 51 Ų | 51 | 103.7 Ų | 103.7 | 36% | 0.357 | 58% | 0.583 | S | S | . | * | trans | -115.6 | 51.5 | -177.3 | 55.5 | 0 | 0 | 0 | 0 | 114.2 | S507 | S507-S509 PolarHBondContact O-N 2.65Š| ||
| 510 | S | 30.7 | Very low | 31.5 | Very low | 101 Ų | 101 | 103.8 Ų | 103.8 | 71% | 0.706 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -83.5 | -11.4 | 165.8 | 64.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 511 | Q | 28.7 | Very low | 32.2 | Very low | 167 Ų | 167 | 105.7 Ų | 105.7 | 78% | 0.78 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -93.2 | -18.4 | -176.6 | -74.8 | -174.5 | -14.9 | 0 | 0 | 115.4 | ||
| 512 | T | 27.9 | Very low | 33.5 | Very low | 95 Ų | 95 | 100.9 Ų | 100.9 | 58% | 0.583 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -96.6 | -18 | -168.1 | 54.6 | 0 | 0 | 0 | 0 | 116 | K514 | T512-K514 VanDerWaalsContact C-N 3.35Å; T512-K514 PolarHBondContact O-N 3.37Å |
| 513 | N | 30.2 | Very low | 35 | Very low | 116 Ų | 116 | 98.6 Ų | 98.6 | 62% | 0.62 | 54% | 0.536 | S | S | * | . | trans | -96.7 | 30 | -177.9 | -75.3 | 15.6 | 0 | 0 | 0 | 114 | T515 | N513-T515 VanDerWaalsContact C-N 3.28Å; N513-T515 PolarHBondContact O-N 3.08Å | ||
| 514 | K | 30.5 | Very low | 36.6 | Very low | 129 Ų | 129 | 103.3 Ų | 103.3 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | trans | -74.6 | -12.9 | 174.4 | -81.5 | -174.3 | 163 | -155.4 | 0 | 114.5 | T512 F516 D518 | T512-K514 VanDerWaalsContact C-N 3.35Å; T512-K514 PolarHBondContact O-N 3.37Å; K514-F516 PolarHBondContact O-N 3.46Å; K514-D518 WeakPolarHBondContact CB-OD2 3.17Å; K514-D518 WeakPolarHBondContact CD-OD2 3.47Å; K514-D518 WeakPolarHBondContact O-CB 3.28Å; K514-D518 PolarHBondContact O-N 3.35Å | ||
| 515 | T | 38.9 | Very low | 38.4 | Very low | 114 Ų | 114 | 100.6 Ų | 100.6 | 70% | 0.699 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -22.4 | -160.9 | 50.1 | 0 | 0 | 0 | 0 | 116.7 | N513 | N513-T515 VanDerWaalsContact C-N 3.28Å; N513-T515 PolarHBondContact O-N 3.08Å |
| 516 | F | 41.4 | Very low | 40.3 | Very low | 82 Ų | 82 | 96.1 Ų | 96.1 | 36% | 0.36 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -34.8 | -173.3 | -139.1 | -89.2 | 0 | 0 | 0 | 114.3 | K514 D770 | K514-F516 PolarHBondContact O-N 3.46Å; F516-D770 WeakPolarHBondContact CE1-OD1 3.39Å; F516-D770 WeakPolarHBondContact CZ-OD1 3.46Å; F516-D770 WeakPolarHBondContact CZ-OD2 3.31Å |
| 517 | F | 43.5 | Very low | 42.3 | Very low | 24 Ų | 24 | 89.2 Ų | 89.2 | 11% | 0.105 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -11.6 | -176.6 | -66.8 | -58.1 | 0 | 0 | 0 | 114.9 | N519 S522 I525 K526 I531 I768 | F517-N519 PolarHBondContact O-N 3.04Å; F517-S522 PolarHBondContact O-OG 3.4Å; F517-I525 HydrophobicContact CD1-CG2 4.07Å; F517-I525 HydrophobicContact CE1-CG2 3.65Å; F517-K526 WeakPolarHBondContact O-CE 3.4Å; F517-K526 PolarHBondContact O-NZ 3.48Å; F517-I531 HydrophobicContact CB-CG2 4.23Å; F517-I768 HydrophobicContact CE1-CD1 3.61Å; F517-I768 HydrophobicContact CZ-CD1 3.59Å |
| 518 | D | 41 | Very low | 44.4 | Very low | 76 Ų | 76 | 87.8 Ų | 87.8 | 41% | 0.406 | 46% | 0.46 | S | S | . | . | trans | -75.2 | -2.6 | 176.4 | -81.5 | -3.9 | 0 | 0 | 0 | 113.6 | K514 N520 | K514-D518 WeakPolarHBondContact CB-OD2 3.17Å; K514-D518 WeakPolarHBondContact CD-OD2 3.47Å; K514-D518 WeakPolarHBondContact O-CB 3.28Å; K514-D518 PolarHBondContact O-N 3.35Å; D518-N520 PolarHBondContact O-N 2.99Å; D518-N520 VanDerWaalsContact O-N 3.13Å | ||
| 519 | N | 41.6 | Very low | 46.7 | Very low | 74 Ų | 74 | 79.5 Ų | 79.5 | 40% | 0.396 | 43% | 0.425 | S | S | . | . | trans | -61.8 | 117 | 167.8 | -95.1 | -16.5 | 0 | 0 | 0 | 110.6 | F517 N521 S522 N787 | F517-N519 PolarHBondContact O-N 3.04Å; N519-N521 PolarHBondContact O-N 3.05Å; N519-S522 PolarHBondContact O-N 2.98Å; N519-S522 PolarHBondContact O-OG 2.87Å; N519-N787 PolarHBondContact ND2-ND2 3.37Å; N519-N787 VanDerWaalsContact ND2-ND2 3.19Å | ||
| 520 | N | 44.5 | Very low | 48.7 | Very low | 143 Ų | 143 | 77.8 Ų | 77.8 | 77% | 0.765 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.4 | -168.2 | -75.2 | -30.9 | 0 | 0 | 0 | 115.4 | D518 S522 | D518-N520 PolarHBondContact O-N 2.99Å; D518-N520 VanDerWaalsContact O-N 3.13Å; N520-S522 VanDerWaalsContact C-N 3.32Å; N520-S522 PolarHBondContact O-N 2.86Å |
| 521 | N | 46.1 | Very low | 50 | Low | 107 Ų | 107 | 76.6 Ų | 76.6 | 57% | 0.572 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -4.2 | -175 | -60.5 | -6 | 0 | 0 | 0 | 113.9 | N519 A523 | N519-N521 PolarHBondContact O-N 3.05Å; N521-A523 VanDerWaalsContact C-N 3.32Å; N521-A523 PolarHBondContact O-N 3.34Å |
| 522 | S | 55.4 | Low | 51.8 | Low | 16 Ų | 16 | 72.1 Ų | 72.1 | 11% | 0.112 | 38% | 0.379 | C | S | . | . | trans | -86.5 | 20.6 | -170.8 | 59.5 | 0 | 0 | 0 | 0 | 115.4 | F517 N519 N520 R524 I525 K526 | F517-S522 PolarHBondContact O-OG 3.4Å; N519-S522 PolarHBondContact O-N 2.98Å; N519-S522 PolarHBondContact O-OG 2.87Å; N520-S522 VanDerWaalsContact C-N 3.32Å; N520-S522 PolarHBondContact O-N 2.86Å; S522-R524 PolarHBondContact O-N 3.46Å; S522-I525 WeakPolarHBondContact O-CA 3.47Å; S522-I525 WeakPolarHBondContact O-CB 3.44Å; S522-I525 PolarHBondContact O-N 2.95Å; S522-K526 WeakPolarHBondContact O-CG 3.47Å; S522-K526 PolarHBondContact O-N 3.13Å; S522-K526 WeakPolarHBondContact OG-CE 3.3Å | ||
| 523 | A | 57.5 | Low | 53.7 | Low | 70 Ų | 70 | 72.1 Ų | 72.1 | 58% | 0.579 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -48.6 | -36.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N521 A527 | N521-A523 VanDerWaalsContact C-N 3.32Å; N521-A523 PolarHBondContact O-N 3.34Å; A523-A527 PolarHBondContact O-N 3.09Å |
| 524 | R | 59.9 | Low | 56.1 | Low | 188 Ų | 188 | 71.8 Ų | 71.8 | 71% | 0.709 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -67 | -43.9 | 174.6 | -176.3 | 176.4 | 176.3 | 168 | 3.2 | 113.2 | S522 K526 A527 E528 | S522-R524 PolarHBondContact O-N 3.46Å; R524-K526 VanDerWaalsContact C-N 3.31Å; R524-K526 PolarHBondContact O-N 3.23Å; R524-A527 PolarHBondContact O-N 2.72Å; R524-E528 WeakPolarHBondContact CG-OE1 3.37Å; R524-E528 IonicContact CZ-OE1 2.95Å; R524-E528 IonicContact NE-OE1 2.7Å; R524-E528 PolarHBondContact NE-OE1 3.2Å; R524-E528 IonicContact NH2-OE1 3.89Å; R524-E528 PolarHBondContact O-N 2.56Å |
| 525 | I | 62.8 | Low | 59 | Low | 10 Ų | 10 | 67 Ų | 67 | 5% | 0.051 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.9 | -39.9 | 176.6 | -60.2 | 160.1 | 0 | 0 | 0 | 110.4 | F517 S522 A527 E528 I529 I768 C789 I791 | F517-I525 HydrophobicContact CD1-CG2 4.07Å; F517-I525 HydrophobicContact CE1-CG2 3.65Å; S522-I525 WeakPolarHBondContact O-CA 3.47Å; S522-I525 WeakPolarHBondContact O-CB 3.44Å; S522-I525 PolarHBondContact O-N 2.95Å; I525-A527 PolarHBondContact O-N 2.74Å; I525-E528 PolarHBondContact O-N 2.9Å; I525-I529 PolarHBondContact O-N 3.38Å; I525-I529 VanDerWaalsContact O-O 3.11Å; I525-I768 HydrophobicContact CD1-CG2 4.43Å; I525-I768 HydrophobicContact CG2-CD1 3.9Å; I525-C789 HydrophobicContact CD1-CB 3.43Å; I525-C789 VanDerWaalsContact CD1-CB 3.43Å; I525-I791 HydrophobicContact CB-CD1 4.25Å; I525-I791 HydrophobicContact CG1-CD1 3.69Å; I525-I791 HydrophobicContact CG1-CG1 3.77Å |
| 526 | K | 64.5 | Low | 61.5 | Low | 51 Ų | 51 | 62.3 Ų | 62.3 | 22% | 0.222 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -25.4 | 175.3 | -64.5 | -179.8 | 159.2 | -179.9 | 0 | 113.4 | F517 S522 R524 I531 | F517-K526 WeakPolarHBondContact O-CE 3.4Å; F517-K526 PolarHBondContact O-NZ 3.48Å; S522-K526 WeakPolarHBondContact O-CG 3.47Å; S522-K526 PolarHBondContact O-N 3.13Å; S522-K526 WeakPolarHBondContact OG-CE 3.3Å; R524-K526 VanDerWaalsContact C-N 3.31Å; R524-K526 PolarHBondContact O-N 3.23Å; K526-I531 HydrophobicContact CB-CD1 3.78Å; K526-I531 HydrophobicContact CB-CG1 3.73Å; K526-I531 HydrophobicContact CD-CD1 3.52Å; K526-I531 HydrophobicContact CD-CG1 4.21Å; K526-I531 HydrophobicContact CG-CD1 3.6Å; K526-I531 HydrophobicContact CG-CG1 3.71Å |
| 527 | A | 66.4 | Low | 64.1 | Low | 20 Ų | 20 | 60.4 Ų | 60.4 | 17% | 0.165 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -88.6 | -38.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A523 R524 I525 L543 | A523-A527 PolarHBondContact O-N 3.09Å; R524-A527 PolarHBondContact O-N 2.72Å; I525-A527 PolarHBondContact O-N 2.74Å; A527-L543 HydrophobicContact CB-CD1 4.33Å |
| 528 | E | 71.4 | Confident | 66.4 | Low | 10 Ų | 10 | 59.2 Ų | 59.2 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.4 | -38.2 | -179.6 | -69.1 | -173.7 | -145 | 0 | 0 | 112.3 | R524 I525 L543 R645 I791 R793 | R524-E528 WeakPolarHBondContact CG-OE1 3.37Å; R524-E528 IonicContact CZ-OE1 2.95Å; R524-E528 IonicContact NE-OE1 2.7Å; R524-E528 PolarHBondContact NE-OE1 3.2Å; R524-E528 IonicContact NH2-OE1 3.89Å; R524-E528 PolarHBondContact O-N 2.56Å; I525-E528 PolarHBondContact O-N 2.9Å; E528-L543 HydrophobicContact CG-CD1 4.03Å; E528-R645 PolarHBondContact O-NH1 3.32Å; E528-I791 HydrophobicContact CB-CD1 3.88Å; E528-I791 HydrophobicContact CG-CD1 4.01Å; E528-I791 WeakPolarHBondContact OE2-CD1 3.38Å; E528-R793 IonicContact OE2-CZ 3.09Å; E528-R793 IonicContact OE2-NE 2.78Å; E528-R793 PolarHBondContact OE2-NE 3.39Å; E528-R793 IonicContact OE2-NH2 2.73Å; E528-R793 PolarHBondContact OE2-NH2 3.44Å |
| 529 | I | 70.8 | Confident | 68.8 | Low | 25 Ų | 25 | 56.7 Ų | 56.7 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | 120 | 173.9 | -64.7 | 163.9 | 0 | 0 | 0 | 108.8 | I525 I531 A668 L766 I768 | I525-I529 PolarHBondContact O-N 3.38Å; I525-I529 VanDerWaalsContact O-O 3.11Å; I529-I531 PolarHBondContact O-N 3.23Å; I529-A668 HydrophobicContact CD1-CB 4.24Å; I529-L766 HydrophobicContact CD1-CB 4.35Å; I529-L766 HydrophobicContact CD1-CD1 3.99Å; I529-L766 HydrophobicContact CG1-CD1 3.9Å; I529-I768 HydrophobicContact CD1-CD1 3.96Å; I529-I768 HydrophobicContact CD1-CG1 4.41Å |
| 530 | P | 68.6 | Low | 71.1 | Confident | 15 Ų | 15 | 53.4 Ų | 53.4 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 130.1 | -179.3 | -26.6 | 34.2 | 0 | 0 | 0 | 113.2 | D532 Y588 | P530-D532 PolarHBondContact O-N 3.42Å; P530-Y588 HydrophobicContact CB-CE1 4.45Å; P530-Y588 HydrophobicContact CB-CE2 4.03Å; P530-Y588 HydrophobicContact CG-CD1 4.03Å; P530-Y588 HydrophobicContact CG-CD2 3.77Å; P530-Y588 HydrophobicContact CG-CE1 3.76Å; P530-Y588 HydrophobicContact CG-CE2 3.5Å; P530-Y588 VanDerWaalsContact CG-CE2 3.5Å; P530-Y588 HydrophobicContact CG-CG 4.03Å; P530-Y588 VanDerWaalsContact CG-CZ 3.47Å |
| 531 | I | 58.9 | Low | 73.2 | Confident | 76 Ų | 76 | 47.3 Ų | 47.3 | 39% | 0.39 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -62.7 | -45 | -178.6 | -40.1 | 175.6 | 0 | 0 | 0 | 111.4 | F517 K526 I529 K533 | F517-I531 HydrophobicContact CB-CG2 4.23Å; K526-I531 HydrophobicContact CB-CD1 3.78Å; K526-I531 HydrophobicContact CB-CG1 3.73Å; K526-I531 HydrophobicContact CD-CD1 3.52Å; K526-I531 HydrophobicContact CD-CG1 4.21Å; K526-I531 HydrophobicContact CG-CD1 3.6Å; K526-I531 HydrophobicContact CG-CG1 3.71Å; I529-I531 PolarHBondContact O-N 3.23Å; I531-K533 PolarHBondContact O-N 3.21Å |
| 532 | D | 65.6 | Low | 75 | Confident | 73 Ų | 73 | 48.8 Ų | 48.8 | 39% | 0.39 | 25% | 0.252 | S | S | . | . | trans | -79.7 | 92.6 | -176.8 | -167.9 | -3.1 | 0 | 0 | 0 | 109.6 | P530 N534 L535 | P530-D532 PolarHBondContact O-N 3.42Å; D532-N534 PolarHBondContact O-N 3.15Å; D532-N534 VanDerWaalsContact OD1-CB 3.31Å; D532-N534 WeakPolarHBondContact OD1-CB 3.09Å; D532-N534 PolarHBondContact OD1-N 2.95Å; D532-N534 PolarHBondContact OD1-ND2 2.67Å; D532-L535 HydrophobicContact CB-CD1 3.98Å; D532-L535 HydrophobicContact CB-CG 3.98Å; D532-L535 WeakPolarHBondContact O-CB 3.17Å; D532-L535 PolarHBondContact O-N 2.93Å | ||
| 533 | K | 67.2 | Low | 76.4 | Confident | 96 Ų | 96 | 50.2 Ų | 50.2 | 42% | 0.417 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -6.7 | 176 | -58.2 | -177 | -177.2 | -179.2 | 0 | 113.3 | I531 F651 | I531-K533 PolarHBondContact O-N 3.21Å; K533-F651 HydrophobicContact CD-CB 4.34Å |
| 534 | N | 82 | Confident | 77.6 | Confident | 109 Ų | 109 | 49.5 Ų | 49.5 | 58% | 0.583 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 7.3 | 173.4 | -42.7 | -71 | 0 | 0 | 0 | 112.7 | S488 C489 D532 | S488-N534 CarbonylContact C-O 3.49Å; S488-N534 WeakPolarHBondContact CA-O 3.15Å; S488-N534 WeakPolarHBondContact CB-O 3.26Å; C489-N534 PolarHBondContact N-O 2.84Å; D532-N534 PolarHBondContact O-N 3.15Å; D532-N534 VanDerWaalsContact OD1-CB 3.31Å; D532-N534 WeakPolarHBondContact OD1-CB 3.09Å; D532-N534 PolarHBondContact OD1-N 2.95Å; D532-N534 PolarHBondContact OD1-ND2 2.67Å |
| 535 | L | 90.1 | Very high | 78.8 | Confident | 28 Ų | 28 | 47.6 Ų | 47.6 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 127.2 | 171.2 | -67.1 | 178 | 0 | 0 | 0 | 111.1 | T486 V487 D532 Y588 N590 | T486-L535 HydrophobicContact CG2-CD1 4.46Å; T486-L535 HydrophobicContact CG2-CD2 4.49Å; V487-L535 CarbonylContact O-C 3.53Å; V487-L535 WeakPolarHBondContact O-CA 3.43Å; D532-L535 HydrophobicContact CB-CD1 3.98Å; D532-L535 HydrophobicContact CB-CG 3.98Å; D532-L535 WeakPolarHBondContact O-CB 3.17Å; D532-L535 PolarHBondContact O-N 2.93Å; L535-Y588 WeakPolarHBondContact CD1-OH 3.38Å; L535-N590 WeakPolarHBondContact O-CB 3.38Å; L535-N590 PolarHBondContact O-ND2 2.95Å |
| 536 | F | 93.2 | Very high | 80 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 7% | 0.066 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -38.7 | 175.5 | -179.1 | -116.1 | 0 | 0 | 0 | 112 | M391 V487 I589 N590 D592 T595 V596 | M391-F536 HydrophobicContact CE-CD1 3.89Å; M391-F536 HydrophobicContact CE-CE1 4.46Å; V487-F536 HydrophobicContact CG1-CB 4.4Å; V487-F536 HydrophobicContact CG1-CD1 4.25Å; V487-F536 PolarHBondContact O-N 2.84Å; F536-I589 HydrophobicContact CE2-CG2 4.19Å; F536-I589 HydrophobicContact CZ-CG2 4.17Å; F536-I589 CarbonylContact O-C 3.49Å; F536-I589 VanDerWaalsContact O-CA 3.32Å; F536-I589 WeakPolarHBondContact O-CA 3.25Å; F536-N590 WeakPolarHBondContact CD2-O 3.14Å; F536-N590 WeakPolarHBondContact CE2-O 3.28Å; F536-N590 PolarHBondContact O-N 2.91Å; F536-D592 HydrophobicContact CD2-CB 4.24Å; F536-T595 HydrophobicContact CB-CG2 4.3Å; F536-T595 HydrophobicContact CD1-CG2 3.85Å; F536-T595 HydrophobicContact CD2-CG2 3.83Å; F536-T595 HydrophobicContact CE1-CG2 4.12Å; F536-T595 HydrophobicContact CE2-CG2 4.11Å; F536-T595 HydrophobicContact CG-CG2 3.73Å; F536-T595 HydrophobicContact CZ-CG2 4.25Å; F536-V596 HydrophobicContact CE2-CG2 4.07Å; F536-V596 HydrophobicContact CZ-CG2 4.07Å |
| 537 | I | 94.8 | Very high | 81 | Confident | 42 Ų | 42 | 51 Ų | 51 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 139.1 | 175.2 | -48.5 | 176.9 | 0 | 0 | 0 | 109.2 | V487 F587 Y588 I589 | V487-I537 HydrophobicContact CB-CB 3.86Å; V487-I537 HydrophobicContact CB-CG1 4.25Å; V487-I537 HydrophobicContact CG2-CB 3.92Å; V487-I537 HydrophobicContact CG2-CD1 4.41Å; V487-I537 HydrophobicContact CG2-CG1 4.44Å; V487-I537 PolarHBondContact N-O 2.88Å; V487-I537 PolarHBondContact O-N 3.27Å; I537-F587 HydrophobicContact CG2-CD2 4.31Å; I537-Y588 WeakPolarHBondContact CA-O 3.47Å; I537-Y588 WeakPolarHBondContact CG2-O 3.45Å; I537-I589 HydrophobicContact CG1-CG1 4.3Å; I537-I589 HydrophobicContact CG1-CG2 4.48Å |
| 538 | G | 92 | Very high | 81.8 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 167.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I485 F587 Y588 | I485-G538 WeakPolarHBondContact O-CA 3.29Å; G538-F587 WeakPolarHBondContact O-CA 3.28Å; G538-F587 WeakPolarHBondContact O-CB 3.2Å; G538-Y588 PolarHBondContact N-O 3.05Å; G538-Y588 WeakPolarHBondContact O-CD1 3.38Å; G538-Y588 PolarHBondContact O-N 3.24Å |
| 539 | S | 91.5 | Very high | 82.4 | Confident | 22 Ų | 22 | 61.6 Ų | 61.6 | 15% | 0.154 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 149.3 | 173.3 | 74.7 | 0 | 0 | 0 | 0 | 112.6 | D484 | D484-S539 WeakPolarHBondContact OD1-CB 3.38Å; D484-S539 PolarHBondContact OD1-OG 2.87Å |
| 540 | D | 89.7 | Confident | 83.2 | Confident | 6 Ų | 6 | 61.6 Ų | 61.6 | 3% | 0.032 | 33% | 0.332 | C | S | . | . | trans | -101.4 | 30.9 | 177.3 | -89.7 | -42.5 | 0 | 0 | 0 | 112.5 | L542 L543 H544 P586 Y588 R645 | D540-L542 VanDerWaalsContact C-N 3.26Å; D540-L542 PolarHBondContact O-N 3.05Å; D540-L543 HydrophobicContact CB-CB 4.26Å; D540-L543 PolarHBondContact O-N 3Å; D540-L543 VanDerWaalsContact O-N 3.1Å; D540-H544 PolarHBondContact O-CD2 2.99Å; D540-H544 PolarHBondContact O-N 3.17Å; D540-H544 VanDerWaalsContact O-N 3.08Å; D540-P586 HydrophobicContact CB-CB 4.02Å; D540-P586 PolarHBondContact N-O 3.45Å; D540-Y588 WeakPolarHBondContact OD1-CD1 3.36Å; D540-Y588 PolarHBondContact OD2-N 3.22Å; D540-R645 VanDerWaalsContact CG-NH2 3.29Å; D540-R645 IonicContact OD1-CZ 3.39Å; D540-R645 IonicContact OD1-NE 3.8Å; D540-R645 IonicContact OD1-NH2 3.99Å; D540-R645 PolarHBondContact OD1-NH2 3.26Å; D540-R645 IonicContact OD2-CZ 2.76Å; D540-R645 IonicContact OD2-NE 3.74Å; D540-R645 PolarHBondContact OD2-NE 2.78Å; D540-R645 IonicContact OD2-NH2 4Å; D540-R645 PolarHBondContact OD2-NH2 3.25Å | ||
| 541 | K | 88.1 | Confident | 84.2 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 7% | 0.065 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -43 | 179.6 | -73.1 | -175.9 | 172.1 | -177.8 | 0 | 112.8 | V483 H544 N545 L546 D548 S550 | V483-K541 VanDerWaalsContact O-CE 3.27Å; V483-K541 WeakPolarHBondContact O-CE 3.27Å; V483-K541 PolarHBondContact O-NZ 3.11Å; K541-H544 PolarHBondContact O-N 3.01Å; K541-N545 WeakPolarHBondContact O-CA 3.34Å; K541-N545 PolarHBondContact O-N 3.22Å; K541-L546 HydrophobicContact CB-CB 4.2Å; K541-L546 HydrophobicContact CG-CB 4.14Å; K541-L546 HydrophobicContact CG-CD1 4.46Å; K541-L546 PolarHBondContact O-N 2.92Å; K541-D548 PolarHBondContact NZ-O 3.09Å; K541-S550 WeakPolarHBondContact CE-O 3.39Å; K541-S550 WeakPolarHBondContact CE-OG 3.37Å; K541-S550 PolarHBondContact NZ-O 3.3Å |
| 542 | L | 83.6 | Confident | 85.9 | Confident | 137 Ų | 137 | 59.4 Ų | 59.4 | 72% | 0.717 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -40.4 | 178.9 | -66.3 | 175.5 | 0 | 0 | 0 | 112.5 | D540 | D540-L542 VanDerWaalsContact C-N 3.26Å; D540-L542 PolarHBondContact O-N 3.05Å |
| 543 | L | 84.7 | Confident | 87.3 | Confident | 46 Ų | 46 | 57.3 Ų | 57.3 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -37.4 | -179.9 | -178.8 | 61.2 | 0 | 0 | 0 | 111.9 | A527 E528 D540 | A527-L543 HydrophobicContact CB-CD1 4.33Å; E528-L543 HydrophobicContact CG-CD1 4.03Å; D540-L543 HydrophobicContact CB-CB 4.26Å; D540-L543 PolarHBondContact O-N 3Å; D540-L543 VanDerWaalsContact O-N 3.1Å |
| 544 | H | 84.8 | Confident | 88.6 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 26% | 0.259 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 6.4 | -179.1 | -67 | -78.6 | 0 | 0 | 0 | 114.4 | D540 K541 L546 P586 M643 | D540-H544 PolarHBondContact O-CD2 2.99Å; D540-H544 PolarHBondContact O-N 3.17Å; D540-H544 VanDerWaalsContact O-N 3.08Å; K541-H544 PolarHBondContact O-N 3.01Å; H544-L546 HydrophobicContact CB-CD1 4.25Å; H544-L546 HydrophobicContact CB-CD2 4.39Å; H544-L546 HydrophobicContact CB-CG 3.9Å; H544-L546 PolarHBondContact O-N 3.02Å; H544-P586 HydrophobicContact CB-CG 4.45Å; H544-P586 WeakPolarHBondContact CD2-CB 3.35Å; H544-M643 PolarHBondContact CE1-SD 3.02Å |
| 545 | N | 84.1 | Confident | 89.2 | Confident | 147 Ų | 147 | 50.2 Ų | 50.2 | 79% | 0.786 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 39 | -175.8 | -58.7 | -72.1 | 0 | 0 | 0 | 113.6 | K541 | K541-N545 WeakPolarHBondContact O-CA 3.34Å; K541-N545 PolarHBondContact O-N 3.22Å |
| 546 | L | 87.5 | Confident | 89.3 | Confident | 51 Ų | 51 | 49.1 Ų | 49.1 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | trans | -78.7 | 142 | 178 | -59.4 | 177.3 | 0 | 0 | 0 | 110.3 | K541 H544 P586 | K541-L546 HydrophobicContact CB-CB 4.2Å; K541-L546 HydrophobicContact CG-CB 4.14Å; K541-L546 HydrophobicContact CG-CD1 4.46Å; K541-L546 PolarHBondContact O-N 2.92Å; H544-L546 HydrophobicContact CB-CD1 4.25Å; H544-L546 HydrophobicContact CB-CD2 4.39Å; H544-L546 HydrophobicContact CB-CG 3.9Å; H544-L546 PolarHBondContact O-N 3.02Å; L546-P586 HydrophobicContact CD1-CG 4.1Å | ||
| 547 | P | 86.6 | Confident | 89.1 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 53% | 0.526 | 28% | 0.282 | S | S | . | . | trans | -58.3 | 143 | 176.9 | -23.8 | 33.3 | 0 | 0 | 0 | 112.3 | T549 S550 | P547-T549 PolarHBondContact O-N 3.3Å; P547-T549 VanDerWaalsContact O-N 3.15Å; P547-S550 VanDerWaalsContact O-CB 3.24Å; P547-S550 WeakPolarHBondContact O-CB 3.38Å; P547-S550 PolarHBondContact O-N 2.92Å; P547-S550 PolarHBondContact O-OG 3.02Å | ||
| 548 | D | 81.8 | Confident | 88.7 | Confident | 129 Ų | 129 | 49.7 Ų | 49.7 | 69% | 0.69 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -34.9 | 176.7 | -63.8 | -40.8 | 0 | 0 | 0 | 112.1 | V483 K541 S550 | V483-D548 WeakPolarHBondContact CG1-O 3.11Å; K541-D548 PolarHBondContact NZ-O 3.09Å; D548-S550 VanDerWaalsContact C-N 3.26Å; D548-S550 PolarHBondContact O-N 3.29Å |
| 549 | T | 84 | Confident | 88.3 | Confident | 125 Ų | 125 | 51.7 Ų | 51.7 | 77% | 0.767 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -7.2 | 177.4 | 58.4 | 0 | 0 | 0 | 0 | 114.9 | P547 | P547-T549 PolarHBondContact O-N 3.3Å; P547-T549 VanDerWaalsContact O-N 3.15Å |
| 550 | S | 88.7 | Confident | 87.5 | Confident | 24 Ų | 24 | 52 Ų | 52 | 17% | 0.168 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -67 | 140 | 177.4 | 64.6 | 0 | 0 | 0 | 0 | 111.5 | K541 P547 D548 F552 | K541-S550 WeakPolarHBondContact CE-O 3.39Å; K541-S550 WeakPolarHBondContact CE-OG 3.37Å; K541-S550 PolarHBondContact NZ-O 3.3Å; P547-S550 VanDerWaalsContact O-CB 3.24Å; P547-S550 WeakPolarHBondContact O-CB 3.38Å; P547-S550 PolarHBondContact O-N 2.92Å; P547-S550 PolarHBondContact O-OG 3.02Å; D548-S550 VanDerWaalsContact C-N 3.26Å; D548-S550 PolarHBondContact O-N 3.29Å; S550-F552 PolarHBondContact O-N 3.21Å |
| 551 | S | 90 | Very high | 86.7 | Confident | 31 Ų | 31 | 52.8 Ų | 52.8 | 22% | 0.217 | 28% | 0.284 | C | S | . | . | trans | -71 | 121.1 | 174 | 52.7 | 0 | 0 | 0 | 0 | 110.3 | L482 T554 N585 | L482-S551 CarbonylContact O-C 3.51Å; L482-S551 WeakPolarHBondContact O-CA 3.39Å; S551-T554 PolarHBondContact OG-OG1 3.39Å; S551-N585 PolarHBondContact O-ND2 2.98Å | ||
| 552 | F | 94.1 | Very high | 85.5 | Confident | 14 Ų | 14 | 53.2 Ų | 53.2 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -62.7 | -46.8 | 169 | 171 | -97.1 | 0 | 0 | 0 | 112.3 | L482 V483 I485 S550 I584 N585 F587 | L482-F552 HydrophobicContact CD2-CD1 4.44Å; L482-F552 PolarHBondContact O-N 3.03Å; V483-F552 WeakPolarHBondContact O-CB 3.4Å; V483-F552 PolarHBondContact O-N 3.44Å; I485-F552 HydrophobicContact CB-CD1 4.38Å; I485-F552 HydrophobicContact CB-CE1 4.3Å; I485-F552 HydrophobicContact CG2-CD1 3.69Å; I485-F552 HydrophobicContact CG2-CD2 4.33Å; I485-F552 HydrophobicContact CG2-CE1 3.29Å; I485-F552 HydrophobicContact CG2-CE2 3.92Å; I485-F552 HydrophobicContact CG2-CG 4.21Å; I485-F552 HydrophobicContact CG2-CZ 3.41Å; I485-F552 VanDerWaalsContact CG2-CZ 3.41Å; S550-F552 PolarHBondContact O-N 3.21Å; F552-I584 HydrophobicContact CE1-CG2 3.91Å; F552-I584 HydrophobicContact CE2-CG2 4.36Å; F552-I584 HydrophobicContact CZ-CG2 3.77Å; F552-N585 WeakPolarHBondContact O-CB 3.5Å; F552-N585 PolarHBondContact O-N 3.17Å; F552-F587 HydrophobicContact CE2-CB 3.51Å; F552-F587 HydrophobicContact CE2-CG 4.43Å; F552-F587 HydrophobicContact CZ-CB 3.81Å; F552-F587 HydrophobicContact CZ-CG 4.29Å |
| 553 | L | 95 | Very high | 84.4 | Confident | 30 Ų | 30 | 48.3 Ų | 48.3 | 16% | 0.157 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 132.7 | -175.7 | 164.5 | 72.2 | 0 | 0 | 0 | 108.9 | L480 R481 L482 I555 C582 Q583 I584 | L480-L553 HydrophobicContact CD2-CD2 4.25Å; R481-L553 CarbonylContact C-O 3.57Å; R481-L553 VanDerWaalsContact CA-O 3.3Å; R481-L553 WeakPolarHBondContact CA-O 3.47Å; L482-L553 HydrophobicContact CB-CB 4.22Å; L482-L553 PolarHBondContact N-O 2.93Å; L482-L553 PolarHBondContact O-N 3.05Å; L482-L553 VanDerWaalsContact O-N 3.14Å; L553-I555 HydrophobicContact CD1-CD1 4.08Å; L553-I555 HydrophobicContact CD1-CG1 3.76Å; L553-I555 HydrophobicContact CD2-CD1 4.18Å; L553-I555 HydrophobicContact CD2-CG1 4.48Å; L553-I555 HydrophobicContact CG-CD1 4.32Å; L553-I555 HydrophobicContact CG-CG1 4.08Å; L553-C582 VanDerWaalsContact CD1-SG 3.52Å; L553-Q583 WeakPolarHBondContact CA-O 3.44Å; L553-I584 HydrophobicContact CD1-CD1 4.32Å; L553-I584 HydrophobicContact CD1-CG1 3.84Å |
| 554 | T | 94.8 | Very high | 83 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.08 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 127.2 | 170.2 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | F421 I479 L480 R481 S551 C582 Q583 | F421-T554 HydrophobicContact CD1-CG2 4.08Å; F421-T554 HydrophobicContact CD2-CG2 3.78Å; F421-T554 HydrophobicContact CE1-CG2 3.83Å; F421-T554 HydrophobicContact CE2-CG2 3.49Å; F421-T554 VanDerWaalsContact CE2-CG2 3.49Å; F421-T554 HydrophobicContact CG-CG2 4.07Å; F421-T554 HydrophobicContact CZ-CG2 3.53Å; I479-T554 HydrophobicContact CG2-CG2 4.45Å; L480-T554 CarbonylContact O-C 3.57Å; L480-T554 WeakPolarHBondContact O-CA 3.3Å; R481-T554 HydrophobicContact CG-CG2 3.91Å; S551-T554 PolarHBondContact OG-OG1 3.39Å; T554-C582 CarbonylContact O-C 3.55Å; T554-C582 WeakPolarHBondContact O-CA 3.36Å; T554-Q583 PolarHBondContact N-O 3.38Å; T554-Q583 PolarHBondContact O-N 2.9Å |
| 555 | I | 94.2 | Very high | 81.2 | Confident | 43 Ų | 43 | 51.8 Ų | 51.8 | 22% | 0.221 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 129.6 | 177.7 | -52.5 | -179.8 | 0 | 0 | 0 | 108.5 | I479 L480 L553 L580 F581 C582 | I479-I555 CarbonylContact C-O 3.6Å; I479-I555 VanDerWaalsContact CA-O 3.28Å; I479-I555 WeakPolarHBondContact CA-O 3.39Å; L480-I555 HydrophobicContact CB-CB 4.34Å; L480-I555 HydrophobicContact CD2-CD1 4.32Å; L480-I555 HydrophobicContact CD2-CG1 4.49Å; L480-I555 PolarHBondContact N-O 3.39Å; L480-I555 PolarHBondContact O-N 2.78Å; L553-I555 HydrophobicContact CD1-CD1 4.08Å; L553-I555 HydrophobicContact CD1-CG1 3.76Å; L553-I555 HydrophobicContact CD2-CD1 4.18Å; L553-I555 HydrophobicContact CD2-CG1 4.48Å; L553-I555 HydrophobicContact CG-CD1 4.32Å; L553-I555 HydrophobicContact CG-CG1 4.08Å; I555-L580 HydrophobicContact CG2-CD1 3.49Å; I555-L580 VanDerWaalsContact CG2-CD1 3.49Å; I555-F581 CarbonylContact C-O 3.39Å; I555-F581 WeakPolarHBondContact CA-O 3.37Å; I555-C582 HydrophobicContact CG1-CB 4.27Å |
| 556 | E | 91.5 | Very high | 79.3 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.019 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124 | 169.3 | -178.8 | 176.1 | 144.9 | 0 | 0 | 109.7 | F421 H422 R425 V477 G478 I479 K558 L580 F581 | F421-E556 HydrophobicContact CE1-CB 4.07Å; F421-E556 HydrophobicContact CZ-CB 3.79Å; H422-E556 IonicContact ND1-OE2 3.37Å; R425-E556 VanDerWaalsContact CD-CD 3.43Å; R425-E556 VanDerWaalsContact CD-OE1 3.24Å; R425-E556 WeakPolarHBondContact CD-OE1 3.46Å; R425-E556 VanDerWaalsContact CD-OE2 3.24Å; R425-E556 WeakPolarHBondContact CD-OE2 3.3Å; R425-E556 IonicContact CZ-OE1 2.76Å; R425-E556 IonicContact CZ-OE2 2.72Å; R425-E556 IonicContact NE-OE1 3.18Å; R425-E556 IonicContact NE-OE2 3.59Å; R425-E556 VanDerWaalsContact NH1-CD 3.3Å; R425-E556 IonicContact NH1-OE1 3.75Å; R425-E556 PolarHBondContact NH1-OE1 2.93Å; R425-E556 VanDerWaalsContact NH1-OE1 3.09Å; R425-E556 IonicContact NH1-OE2 3.69Å; R425-E556 PolarHBondContact NH1-OE2 3.45Å; V477-E556 HydrophobicContact CG1-CG 4.29Å; G478-E556 WeakPolarHBondContact O-CA 3.25Å; I479-E556 HydrophobicContact CG1-CG 4.41Å; E556-K558 HydrophobicContact CG-CG 4.32Å; E556-K558 VanDerWaalsContact OE1-CD 3.29Å; E556-K558 WeakPolarHBondContact OE1-CD 3.31Å; E556-K558 WeakPolarHBondContact OE1-CE 3.27Å; E556-K558 IonicContact OE1-NZ 2.68Å; E556-K558 PolarHBondContact OE1-NZ 2.85Å; E556-L580 WeakPolarHBondContact O-CA 3.27Å; E556-F581 PolarHBondContact N-O 2.79Å; E556-F581 PolarHBondContact O-N 3.3Å |
| 557 | F | 89.9 | Confident | 76.9 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 131.8 | 170 | 66.2 | -93.8 | 0 | 0 | 0 | 110.1 | V477 G478 L580 | V477-F557 WeakPolarHBondContact CA-O 3.23Å; G478-F557 VanDerWaalsContact CA-CE1 3.45Å; G478-F557 VanDerWaalsContact CA-CZ 3.43Å; G478-F557 PolarHBondContact N-O 2.72Å; G478-F557 VanDerWaalsContact O-CD1 3.25Å; G478-F557 WeakPolarHBondContact O-CD1 3.36Å; G478-F557 PolarHBondContact O-N 2.74Å; F557-L580 HydrophobicContact CB-CD1 4.09Å |
| 558 | K | 85.3 | Confident | 74.3 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 118.2 | 175.6 | -73 | 176.4 | 144.3 | 145.9 | 0 | 110.2 | V477 E556 Y560 C578 S579 | V477-K558 HydrophobicContact CB-CG 4.47Å; V477-K558 HydrophobicContact CG1-CG 4.07Å; V477-K558 HydrophobicContact CG2-CG 4.11Å; E556-K558 HydrophobicContact CG-CG 4.32Å; E556-K558 VanDerWaalsContact OE1-CD 3.29Å; E556-K558 WeakPolarHBondContact OE1-CD 3.31Å; E556-K558 WeakPolarHBondContact OE1-CE 3.27Å; E556-K558 IonicContact OE1-NZ 2.68Å; E556-K558 PolarHBondContact OE1-NZ 2.85Å; K558-Y560 HydrophobicContact CB-CE2 3.9Å; K558-C578 VanDerWaalsContact O-CA 3.3Å; K558-C578 WeakPolarHBondContact O-CA 3.44Å; K558-C578 VanDerWaalsContact O-CB 3.31Å; K558-C578 WeakPolarHBondContact O-CB 3.28Å; K558-S579 PolarHBondContact N-O 3.36Å; K558-S579 PolarHBondContact O-N 2.96Å |
| 559 | N | 84.2 | Confident | 72.1 | Confident | 42 Ų | 42 | 52.2 Ų | 52.2 | 23% | 0.225 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 115.7 | 176.5 | -67.1 | -18 | 0 | 0 | 0 | 109.6 | Q475 S476 C578 Y635 | Q475-N559 WeakPolarHBondContact CA-O 3.42Å; S476-N559 PolarHBondContact N-O 3.19Å; S476-N559 PolarHBondContact O-N 3.34Å; N559-C578 WeakPolarHBondContact OD1-CB 3.39Å; N559-C578 PolarHBondContact OD1-SG 2.8Å; N559-C578 VanDerWaalsContact OD1-SG 3.38Å; N559-Y635 PolarHBondContact ND2-OH 3.37Å; N559-Y635 WeakPolarHBondContact OD1-CE1 3.45Å; N559-Y635 PolarHBondContact OD1-OH 3.37Å |
| 560 | Y | 75.9 | Confident | 69.8 | Low | 30 Ų | 30 | 51.2 Ų | 51.2 | 12% | 0.118 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 143.6 | -179.9 | -62 | -91.4 | 0 | 0 | 0 | 110.9 | F437 Q475 K558 P577 | F437-Y560 HydrophobicContact CD1-CD1 4.15Å; F437-Y560 HydrophobicContact CD1-CD2 4.2Å; F437-Y560 HydrophobicContact CD1-CE1 4.17Å; F437-Y560 HydrophobicContact CD1-CE2 4.22Å; F437-Y560 HydrophobicContact CD1-CG 4.16Å; F437-Y560 HydrophobicContact CE1-CD1 4.11Å; F437-Y560 AromaticContact CE1-CD2 3.45Å; F437-Y560 HydrophobicContact CE1-CD2 3.45Å; F437-Y560 VanDerWaalsContact CE1-CD2 3.45Å; F437-Y560 AromaticContact CE1-CE1 3.96Å; F437-Y560 HydrophobicContact CE1-CE1 3.96Å; F437-Y560 AromaticContact CE1-CE2 3.27Å; F437-Y560 HydrophobicContact CE1-CE2 3.27Å; F437-Y560 AromaticContact CE1-CG 3.87Å; F437-Y560 HydrophobicContact CE1-CG 3.87Å; F437-Y560 AromaticContact CE1-CZ 3.54Å; F437-Y560 HydrophobicContact CZ-CD2 4.15Å; F437-Y560 HydrophobicContact CZ-CE1 4.34Å; F437-Y560 AromaticContact CZ-CE2 3.49Å; F437-Y560 HydrophobicContact CZ-CE2 3.49Å; F437-Y560 VanDerWaalsContact CZ-CE2 3.49Å; F437-Y560 AromaticContact CZ-CZ 3.6Å; Q475-Y560 HydrophobicContact CB-CD1 3.95Å; Q475-Y560 HydrophobicContact CB-CE1 4.03Å; K558-Y560 HydrophobicContact CB-CE2 3.9Å; Y560-P577 WeakPolarHBondContact CD2-O 3.34Å |
| 561 | Y | 71.3 | Confident | 67.2 | Low | 21 Ų | 21 | 52.5 Ų | 52.5 | 8% | 0.082 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 133.7 | 174.5 | 53.3 | -84.6 | 0 | 0 | 0 | 111.9 | K283 P404 Y405 L474 | K283-Y561 HydrophobicContact CB-CD2 4.1Å; K283-Y561 HydrophobicContact CB-CE2 3.69Å; K283-Y561 HydrophobicContact CD-CD1 4.16Å; K283-Y561 HydrophobicContact CD-CD2 3.64Å; K283-Y561 HydrophobicContact CD-CE1 4.17Å; K283-Y561 HydrophobicContact CD-CE2 3.64Å; K283-Y561 HydrophobicContact CD-CG 3.91Å; K283-Y561 HydrophobicContact CG-CD2 3.93Å; K283-Y561 HydrophobicContact CG-CE1 4.38Å; K283-Y561 HydrophobicContact CG-CE2 3.41Å; K283-Y561 VanDerWaalsContact CG-CE2 3.41Å; P404-Y561 PolarHBondContact O-OH 2.85Å; Y405-Y561 VanDerWaalsContact CD1-OH 3.22Å; Y405-Y561 WeakPolarHBondContact CD1-OH 3.35Å; L474-Y561 HydrophobicContact CB-CD2 4.2Å; L474-Y561 HydrophobicContact CB-CE1 4.24Å; L474-Y561 HydrophobicContact CB-CE2 3.51Å; L474-Y561 HydrophobicContact CD1-CE2 3.99Å; L474-Y561 HydrophobicContact CG-CE2 4.34Å; L474-Y561 PolarHBondContact N-O 2.92Å; L474-Y561 VanDerWaalsContact N-O 3.07Å; L474-Y561 PolarHBondContact O-N 3.18Å |
| 562 | C | 63.9 | Low | 64.6 | Low | 25 Ų | 25 | 55.5 Ų | 55.5 | 17% | 0.169 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 150.5 | 169.7 | -167.1 | 0 | 0 | 0 | 0 | 109.9 | Y439 S472 L576 | Y439-C562 HydrophobicContact CE2-CB 4.47Å; S472-C562 CarbonylContact O-C 3.59Å; S472-C562 WeakPolarHBondContact O-CA 3.4Å; S472-C562 PolarHBondContact OG-SG 2.93Å; S472-C562 VanDerWaalsContact OG-SG 3.38Å; C562-L576 HydrophobicContact CB-CD1 3.98Å |
| 563 | V | 60.6 | Low | 61.9 | Low | 33 Ų | 33 | 61.5 Ų | 61.5 | 20% | 0.2 | 37% | 0.367 | C | S | . | . | trans | -108.3 | -28.5 | -177 | -178.5 | 0 | 0 | 0 | 0 | 111 | A287 S472 N565 | A287-V563 HydrophobicContact CB-CB 3.74Å; A287-V563 HydrophobicContact CB-CG1 3.31Å; A287-V563 HydrophobicContact CB-CG2 3.22Å; S472-V563 WeakPolarHBondContact O-CG2 3.04Å; S472-V563 PolarHBondContact O-N 2.83Å; V563-N565 PolarHBondContact O-N 2.9Å | ||
| 564 | D | 55 | Low | 59.5 | Low | 58 Ų | 58 | 67.1 Ų | 67.1 | 31% | 0.31 | 39% | 0.392 | S | S | . | . | trans | -78 | 70.8 | -175.4 | -80 | -38.2 | 0 | 0 | 0 | 112.4 | K291 S472 T566 | K291-D564 IonicContact NZ-OD1 3.82Å; K291-D564 PolarHBondContact NZ-OD1 2.82Å; K291-D564 IonicContact NZ-OD2 3.75Å; K291-D564 PolarHBondContact NZ-OD2 2.84Å; K291-D564 VanDerWaalsContact NZ-OD2 3.08Å; S472-D564 WeakPolarHBondContact CB-OD2 3.24Å; D564-T566 PolarHBondContact O-N 3.26Å | ||
| 565 | N | 47.5 | Very low | 57.5 | Low | 117 Ų | 117 | 69.4 Ų | 69.4 | 63% | 0.626 | 41% | 0.409 | S | S | * | . | trans | -74.2 | 52.4 | 162.5 | -71.1 | 10.4 | 0 | 0 | 0 | 110.4 | V563 P567 | V563-N565 PolarHBondContact O-N 2.9Å; N565-P567 WeakPolarHBondContact O-CD 3.34Å | ||
| 566 | T | 43.6 | Very low | 55.9 | Low | 99 Ų | 99 | 68.5 Ų | 68.5 | 61% | 0.607 | 40% | 0.404 | S | S | * | . | trans | -62.5 | 122.2 | 155.5 | 48.4 | 0 | 0 | 0 | 0 | 105.8 | D564 S568 | D564-T566 PolarHBondContact O-N 3.26Å; T566-S568 PolarHBondContact O-N 3.35Å | ||
| 567 | P | 37.5 | Very low | 54.6 | Low | 128 Ų | 128 | 68.9 Ų | 68.9 | 83% | 0.831 | 41% | 0.407 | S | S | * | . | trans | -76.3 | 73.2 | -173.1 | 30.7 | -35.2 | 0 | 0 | 0 | 109.9 | N565 | N565-P567 WeakPolarHBondContact O-CD 3.34Š| ||
| 568 | S | 32.1 | Very low | 54.1 | Low | 48 Ų | 48 | 66.4 Ų | 66.4 | 34% | 0.336 | 40% | 0.397 | S | S | . | . | trans | -71.6 | 122.9 | 166.9 | 91.6 | 0 | 0 | 0 | 0 | 107.2 | T566 S570 S571 | T566-S568 PolarHBondContact O-N 3.35Å; S568-S570 PolarHBondContact O-N 3.12Å; S568-S571 PolarHBondContact O-N 2.86Å; S568-S571 VanDerWaalsContact O-N 3.16Å; S568-S571 PolarHBondContact O-OG 3.5Å; S568-S571 WeakPolarHBondContact OG-CB 3.36Å; S568-S571 PolarHBondContact OG-N 3.43Å; S568-S571 PolarHBondContact OG-OG 2.82Å | ||
| 569 | P | 35.2 | Very low | 54 | Low | 142 Ų | 142 | 66.4 Ų | 66.4 | 92% | 0.922 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -7.1 | -175.7 | 26.3 | -34.1 | 0 | 0 | 0 | 113.4 | ||
| 570 | S | 34.6 | Very low | 54.3 | Low | 104 Ų | 104 | 67 Ų | 67 | 73% | 0.727 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -16.9 | 176.1 | 49.5 | 0 | 0 | 0 | 0 | 114.3 | S568 S572 | S568-S570 PolarHBondContact O-N 3.12Å; S570-S572 PolarHBondContact O-N 2.95Å; S570-S572 VanDerWaalsContact O-N 3.15Å |
| 571 | S | 35.5 | Very low | 55.1 | Low | 52 Ų | 52 | 65.7 Ų | 65.7 | 36% | 0.364 | 40% | 0.396 | S | S | . | . | trans | -83.5 | 86.3 | 171 | 57 | 0 | 0 | 0 | 0 | 109.3 | S568 | S568-S571 PolarHBondContact O-N 2.86Å; S568-S571 VanDerWaalsContact O-N 3.16Å; S568-S571 PolarHBondContact O-OG 3.5Å; S568-S571 WeakPolarHBondContact OG-CB 3.36Å; S568-S571 PolarHBondContact OG-N 3.43Å; S568-S571 PolarHBondContact OG-OG 2.82Å | ||
| 572 | S | 34.9 | Very low | 56.2 | Low | 93 Ų | 93 | 65.1 Ų | 65.1 | 65% | 0.65 | 40% | 0.395 | S | S | * | . | trans | -48.7 | 151 | 152.2 | 54 | 0 | 0 | 0 | 0 | 108.9 | S570 Q574 | S570-S572 PolarHBondContact O-N 2.95Å; S570-S572 VanDerWaalsContact O-N 3.15Å; S572-Q574 PolarHBondContact O-N 3.49Å | ||
| 573 | N | 38.3 | Very low | 57.6 | Low | 141 Ų | 141 | 65.1 Ų | 65.1 | 75% | 0.754 | 39% | 0.393 | S | S | * | . | trans | -63.4 | 74.2 | 178.4 | -91.9 | -26.8 | 0 | 0 | 0 | 111.1 | S575 | N573-S575 PolarHBondContact O-N 2.85Š| ||
| 574 | Q | 43.4 | Very low | 59.3 | Low | 148 Ų | 148 | 64.8 Ų | 64.8 | 69% | 0.692 | 39% | 0.389 | S | S | * | . | trans | -78 | 80.8 | 177.6 | -161.2 | 170.7 | 23.8 | 0 | 0 | 106.7 | S572 L576 | S572-Q574 PolarHBondContact O-N 3.49Å; Q574-L576 PolarHBondContact O-N 3.42Å | ||
| 575 | S | 52.6 | Low | 61.2 | Low | 61 Ų | 61 | 63.6 Ų | 63.6 | 43% | 0.427 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 123.6 | 177.4 | 52.3 | 0 | 0 | 0 | 0 | 108.8 | N573 | N573-S575 PolarHBondContact O-N 2.85Š|
| 576 | L | 61.8 | Low | 63.5 | Low | 23 Ų | 23 | 58.5 Ų | 58.5 | 12% | 0.12 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 135.9 | 172.9 | -66.1 | 95.4 | 0 | 0 | 0 | 108.3 | I473 C562 Q574 | I473-L576 HydrophobicContact CD1-CD2 4.38Å; I473-L576 HydrophobicContact CG2-CD2 4.42Å; C562-L576 HydrophobicContact CB-CD1 3.98Å; Q574-L576 PolarHBondContact O-N 3.42Å |
| 577 | P | 64.3 | Low | 65.9 | Low | 12 Ų | 12 | 55.3 Ų | 55.3 | 8% | 0.078 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 155.9 | 176.6 | 30.7 | -34.5 | 0 | 0 | 0 | 110 | H436 Y560 R634 | H436-P577 HydrophobicContact CB-CG 3.53Å; Y560-P577 WeakPolarHBondContact CD2-O 3.34Å; P577-R634 CarbonylContact C-O 3.6Å; P577-R634 WeakPolarHBondContact CA-O 3.45Å |
| 578 | C | 77.9 | Confident | 68.6 | Low | 12 Ų | 12 | 50 Ų | 50 | 8% | 0.081 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 160.7 | 178.1 | -59 | 0 | 0 | 0 | 0 | 109.2 | K558 N559 R634 Y635 H636 | K558-C578 VanDerWaalsContact O-CA 3.3Å; K558-C578 WeakPolarHBondContact O-CA 3.44Å; K558-C578 VanDerWaalsContact O-CB 3.31Å; K558-C578 WeakPolarHBondContact O-CB 3.28Å; N559-C578 WeakPolarHBondContact OD1-CB 3.39Å; N559-C578 PolarHBondContact OD1-SG 2.8Å; N559-C578 VanDerWaalsContact OD1-SG 3.38Å; C578-R634 PolarHBondContact N-O 3.33Å; C578-Y635 HydrophobicContact CB-CD1 3.52Å; C578-Y635 HydrophobicContact CB-CE1 3.24Å; C578-Y635 HydrophobicContact CB-CE2 4.3Å; C578-Y635 HydrophobicContact CB-CG 4.15Å; C578-Y635 WeakPolarHBondContact O-CA 3.22Å; C578-H636 PolarHBondContact O-N 3Å |
| 579 | S | 84.8 | Confident | 71.6 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 137.9 | 175.7 | 64.5 | 0 | 0 | 0 | 0 | 111.6 | K558 H636 | K558-S579 PolarHBondContact N-O 3.36Å; K558-S579 PolarHBondContact O-N 2.96Å; S579-H636 WeakPolarHBondContact CA-O 3.41Å |
| 580 | L | 90.1 | Very high | 74.3 | Confident | 54 Ų | 54 | 44.7 Ų | 44.7 | 28% | 0.283 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 112.4 | 172.9 | -179.1 | 65.4 | 0 | 0 | 0 | 108.3 | I555 E556 F557 Y635 H636 V637 R638 | I555-L580 HydrophobicContact CG2-CD1 3.49Å; I555-L580 VanDerWaalsContact CG2-CD1 3.49Å; E556-L580 WeakPolarHBondContact O-CA 3.27Å; F557-L580 HydrophobicContact CB-CD1 4.09Å; L580-Y635 HydrophobicContact CB-CD1 4.33Å; L580-H636 PolarHBondContact N-O 3.49Å; L580-V637 HydrophobicContact CB-CG1 4.47Å; L580-V637 HydrophobicContact CB-CG2 4.28Å; L580-V637 HydrophobicContact CD2-CG1 4.06Å; L580-V637 HydrophobicContact CD2-CG2 4.27Å; L580-V637 HydrophobicContact CG-CG1 4.41Å; L580-V637 CarbonylContact O-C 3.49Å; L580-V637 WeakPolarHBondContact O-CA 3.5Å; L580-R638 PolarHBondContact O-N 3.41Å |
| 581 | F | 91.9 | Very high | 76.9 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 129.9 | 175.3 | -173.2 | -101.4 | 0 | 0 | 0 | 109.7 | F421 A424 R425 W428 I555 E556 R638 E640 | F421-F581 HydrophobicContact CD2-CD1 4.07Å; F421-F581 AromaticContact CD2-CE1 3.8Å; F421-F581 HydrophobicContact CD2-CE1 3.8Å; F421-F581 HydrophobicContact CE1-CD1 4.48Å; F421-F581 AromaticContact CE2-CD1 3.42Å; F421-F581 HydrophobicContact CE2-CD1 3.42Å; F421-F581 VanDerWaalsContact CE2-CD1 3.42Å; F421-F581 AromaticContact CE2-CE1 3.62Å; F421-F581 HydrophobicContact CE2-CE1 3.62Å; F421-F581 AromaticContact CZ-CD1 3.65Å; F421-F581 HydrophobicContact CZ-CD1 3.65Å; F421-F581 HydrophobicContact CZ-CE1 4.23Å; A424-F581 HydrophobicContact CB-CE1 4.42Å; A424-F581 HydrophobicContact CB-CZ 3.92Å; R425-F581 HydrophobicContact CB-CD1 3.65Å; R425-F581 HydrophobicContact CB-CD2 4.46Å; R425-F581 HydrophobicContact CB-CE1 3.85Å; R425-F581 HydrophobicContact CB-CG 3.98Å; R425-F581 HydrophobicContact CB-CZ 4.36Å; R425-F581 HydrophobicContact CG-CB 4.09Å; R425-F581 HydrophobicContact CG-CD1 4.05Å; R425-F581 HydrophobicContact CG-CG 4Å; W428-F581 HydrophobicContact CD2-CD2 4.15Å; W428-F581 HydrophobicContact CE3-CB 4.23Å; W428-F581 AromaticContact CE3-CD2 3.59Å; W428-F581 HydrophobicContact CE3-CD2 3.59Å; W428-F581 HydrophobicContact CE3-CE2 4.42Å; W428-F581 HydrophobicContact CE3-CG 4.26Å; W428-F581 HydrophobicContact CZ3-CB 3.87Å; W428-F581 AromaticContact CZ3-CD2 3.99Å; W428-F581 HydrophobicContact CZ3-CD2 3.99Å; W428-F581 HydrophobicContact CZ3-CG 4.38Å; I555-F581 CarbonylContact C-O 3.39Å; I555-F581 WeakPolarHBondContact CA-O 3.37Å; E556-F581 PolarHBondContact N-O 2.79Å; E556-F581 PolarHBondContact O-N 3.3Å; F581-R638 CarbonylContact C-O 3.59Å; F581-R638 WeakPolarHBondContact CA-O 3.49Å; F581-R638 HydrophobicContact CD2-CB 4.06Å; F581-R638 HydrophobicContact CD2-CG 4.17Å; F581-R638 HydrophobicContact CE2-CB 4.41Å; F581-R638 HydrophobicContact CE2-CG 4.01Å; F581-E640 HydrophobicContact CE2-CG 4.39Å; F581-E640 HydrophobicContact CZ-CG 4.39Å |
| 582 | C | 94.8 | Very high | 79.5 | Confident | 10 Ų | 10 | 40.7 Ų | 40.7 | 7% | 0.068 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.8 | -177 | 175.1 | 0 | 0 | 0 | 0 | 109.6 | L553 T554 I555 R638 L639 E640 | L553-C582 VanDerWaalsContact CD1-SG 3.52Å; T554-C582 CarbonylContact O-C 3.55Å; T554-C582 WeakPolarHBondContact O-CA 3.36Å; I555-C582 HydrophobicContact CG1-CB 4.27Å; C582-R638 PolarHBondContact N-O 3.31Å; C582-L639 HydrophobicContact CB-CB 4.1Å; C582-L639 HydrophobicContact CB-CD1 4.43Å; C582-L639 HydrophobicContact CB-CG 4.18Å; C582-L639 CarbonylContact O-C 3.51Å; C582-L639 VanDerWaalsContact O-CA 3.3Å; C582-L639 WeakPolarHBondContact O-CA 3.48Å; C582-E640 PolarHBondContact O-N 3.17Å |
| 583 | Q | 94.3 | Very high | 82 | Confident | 25 Ų | 25 | 36.4 Ų | 36.4 | 12% | 0.117 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 131 | 170.9 | -170.9 | -180 | -18.9 | 0 | 0 | 109.5 | F421 L553 T554 E640 | F421-Q583 HydrophobicContact CD2-CB 3.73Å; F421-Q583 HydrophobicContact CE2-CB 4.04Å; L553-Q583 WeakPolarHBondContact CA-O 3.44Å; T554-Q583 PolarHBondContact N-O 3.38Å; T554-Q583 PolarHBondContact O-N 2.9Å; Q583-E640 CarbonylContact C-O 3.44Å; Q583-E640 WeakPolarHBondContact CA-O 3.46Å |
| 584 | I | 95.6 | Very high | 84.4 | Confident | 26 Ų | 26 | 31.6 Ų | 31.6 | 13% | 0.133 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 123.8 | 178.9 | -42.7 | -171.9 | 0 | 0 | 0 | 107.7 | F552 L553 F587 L639 E640 A641 L642 | F552-I584 HydrophobicContact CE1-CG2 3.91Å; F552-I584 HydrophobicContact CE2-CG2 4.36Å; F552-I584 HydrophobicContact CZ-CG2 3.77Å; L553-I584 HydrophobicContact CD1-CD1 4.32Å; L553-I584 HydrophobicContact CD1-CG1 3.84Å; I584-F587 HydrophobicContact CB-CE1 4.5Å; I584-F587 HydrophobicContact CG2-CD1 3.72Å; I584-F587 HydrophobicContact CG2-CE1 3.93Å; I584-L639 HydrophobicContact CD1-CD1 4.03Å; I584-L639 HydrophobicContact CD1-CD2 4.25Å; I584-L639 HydrophobicContact CD1-CG 4.23Å; I584-E640 PolarHBondContact N-O 2.85Å; I584-A641 HydrophobicContact CB-CB 4.31Å; I584-A641 WeakPolarHBondContact O-CA 3.23Å; I584-L642 PolarHBondContact O-N 3.48Å |
| 585 | N | 93.9 | Very high | 86.6 | Confident | 32 Ų | 32 | 24.6 Ų | 24.6 | 17% | 0.171 | 13% | 0.133 | C | C | . | . | trans | -79.3 | 168.6 | 175.1 | -84.3 | -16.1 | 0 | 0 | 0 | 111.1 | S551 F552 F587 | S551-N585 PolarHBondContact O-ND2 2.98Å; F552-N585 WeakPolarHBondContact O-CB 3.5Å; F552-N585 PolarHBondContact O-N 3.17Å; N585-F587 PolarHBondContact O-N 3.02Å | ||
| 586 | P | 95.5 | Very high | 88.3 | Confident | 11 Ų | 11 | 23.5 Ų | 23.5 | 7% | 0.071 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -45.8 | 131.4 | -173.2 | -31.5 | 35.3 | 0 | 0 | 0 | 115.4 | D540 H544 L546 L642 M643 | D540-P586 HydrophobicContact CB-CB 4.02Å; D540-P586 PolarHBondContact N-O 3.45Å; H544-P586 HydrophobicContact CB-CG 4.45Å; H544-P586 WeakPolarHBondContact CD2-CB 3.35Å; L546-P586 HydrophobicContact CD1-CG 4.1Å; P586-L642 WeakPolarHBondContact CA-O 3.39Å; P586-M643 HydrophobicContact CB-CB 4.05Å; P586-M643 HydrophobicContact CG-CB 3.91Å; P586-M643 HydrophobicContact CG-CG 4.2Å |
| 587 | F | 94.9 | Very high | 89.4 | Confident | 32 Ų | 32 | 22.8 Ų | 22.8 | 14% | 0.14 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 154.4 | -173.5 | 81.4 | -94.5 | 0 | 0 | 0 | 111.9 | I537 G538 F552 I584 N585 I589 A641 P644 R645 | I537-F587 HydrophobicContact CG2-CD2 4.31Å; G538-F587 WeakPolarHBondContact O-CA 3.28Å; G538-F587 WeakPolarHBondContact O-CB 3.2Å; F552-F587 HydrophobicContact CE2-CB 3.51Å; F552-F587 HydrophobicContact CE2-CG 4.43Å; F552-F587 HydrophobicContact CZ-CB 3.81Å; F552-F587 HydrophobicContact CZ-CG 4.29Å; I584-F587 HydrophobicContact CB-CE1 4.5Å; I584-F587 HydrophobicContact CG2-CD1 3.72Å; I584-F587 HydrophobicContact CG2-CE1 3.93Å; N585-F587 PolarHBondContact O-N 3.02Å; F587-I589 HydrophobicContact CD2-CG1 4.25Å; F587-I589 HydrophobicContact CE2-CD1 4.03Å; F587-I589 HydrophobicContact CE2-CG1 3.82Å; F587-A641 HydrophobicContact CE1-CB 3.9Å; F587-P644 HydrophobicContact CD1-CB 4.2Å; F587-P644 HydrophobicContact CE1-CB 3.75Å; F587-P644 HydrophobicContact CZ-CB 3.96Å; F587-P644 WeakPolarHBondContact O-CA 3.3Å; F587-R645 PolarHBondContact O-N 3.31Å |
| 588 | Y | 93.7 | Very high | 90.5 | Very high | 17 Ų | 17 | 22.8 Ų | 22.8 | 7% | 0.067 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 151.5 | 173.8 | 64.4 | -89.1 | 0 | 0 | 0 | 112 | P530 L535 I537 G538 D540 N590 R645 I647 | P530-Y588 HydrophobicContact CB-CE1 4.45Å; P530-Y588 HydrophobicContact CB-CE2 4.03Å; P530-Y588 HydrophobicContact CG-CD1 4.03Å; P530-Y588 HydrophobicContact CG-CD2 3.77Å; P530-Y588 HydrophobicContact CG-CE1 3.76Å; P530-Y588 HydrophobicContact CG-CE2 3.5Å; P530-Y588 VanDerWaalsContact CG-CE2 3.5Å; P530-Y588 HydrophobicContact CG-CG 4.03Å; P530-Y588 VanDerWaalsContact CG-CZ 3.47Å; L535-Y588 WeakPolarHBondContact CD1-OH 3.38Å; I537-Y588 WeakPolarHBondContact CA-O 3.47Å; I537-Y588 WeakPolarHBondContact CG2-O 3.45Å; G538-Y588 PolarHBondContact N-O 3.05Å; G538-Y588 WeakPolarHBondContact O-CD1 3.38Å; G538-Y588 PolarHBondContact O-N 3.24Å; D540-Y588 WeakPolarHBondContact OD1-CD1 3.36Å; D540-Y588 PolarHBondContact OD2-N 3.22Å; Y588-N590 WeakPolarHBondContact CE2-ND2 3.44Å; Y588-R645 CarbonylContact C-O 3.52Å; Y588-R645 VanDerWaalsContact CA-O 3.29Å; Y588-R645 WeakPolarHBondContact CA-O 3.47Å; Y588-I647 HydrophobicContact CG-CD1 4.38Å |
| 589 | I | 94.8 | Very high | 91 | Very high | 52 Ų | 52 | 24.8 Ų | 24.8 | 27% | 0.267 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 119.9 | 161.2 | -55 | -179.4 | 0 | 0 | 0 | 107.1 | F536 I537 F587 R645 L646 I647 | F536-I589 HydrophobicContact CE2-CG2 4.19Å; F536-I589 HydrophobicContact CZ-CG2 4.17Å; F536-I589 CarbonylContact O-C 3.49Å; F536-I589 VanDerWaalsContact O-CA 3.32Å; F536-I589 WeakPolarHBondContact O-CA 3.25Å; I537-I589 HydrophobicContact CG1-CG1 4.3Å; I537-I589 HydrophobicContact CG1-CG2 4.48Å; F587-I589 HydrophobicContact CD2-CG1 4.25Å; F587-I589 HydrophobicContact CE2-CD1 4.03Å; F587-I589 HydrophobicContact CE2-CG1 3.82Å; I589-R645 PolarHBondContact N-O 3.39Å; I589-L646 HydrophobicContact CB-CD1 4.04Å; I589-L646 HydrophobicContact CG2-CD1 4.07Å; I589-I647 PolarHBondContact O-N 3.34Å |
| 590 | N | 92 | Very high | 91 | Very high | 25 Ų | 25 | 28 Ų | 28 | 13% | 0.134 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 119.8 | 168.4 | -70.1 | -29.9 | 0 | 0 | 0 | 108.1 | L535 F536 Y588 D592 | L535-N590 WeakPolarHBondContact O-CB 3.38Å; L535-N590 PolarHBondContact O-ND2 2.95Å; F536-N590 WeakPolarHBondContact CD2-O 3.14Å; F536-N590 WeakPolarHBondContact CE2-O 3.28Å; F536-N590 PolarHBondContact O-N 2.91Å; Y588-N590 WeakPolarHBondContact CE2-ND2 3.44Å; N590-D592 PolarHBondContact O-N 3.14Å; N590-D592 VanDerWaalsContact O-N 3.09Å |
| 591 | F | 91.2 | Very high | 90.6 | Very high | 40 Ų | 40 | 28.1 Ų | 28.1 | 18% | 0.175 | 15% | 0.148 | C | C | . | . | trans | -71.4 | 106.4 | 179.9 | -176.6 | -101.4 | 0 | 0 | 0 | 110.9 | P593 V596 L646 I647 F648 Q911 I912 V915 | F591-P593 HydrophobicContact CD1-CG 4.42Å; F591-P593 HydrophobicContact CE1-CG 3.94Å; F591-V596 HydrophobicContact CD2-CG2 4.44Å; F591-V596 HydrophobicContact CE2-CG2 4.18Å; F591-L646 HydrophobicContact CB-CD1 4.34Å; F591-I647 PolarHBondContact N-O 2.93Å; F591-F648 HydrophobicContact CB-CD1 3.69Å; F591-F648 HydrophobicContact CB-CE1 3.91Å; F591-F648 HydrophobicContact CB-CG 4.38Å; F591-F648 AromaticContact CD1-CD1 3.62Å; F591-F648 HydrophobicContact CD1-CD1 3.62Å; F591-F648 AromaticContact CD1-CE1 3.76Å; F591-F648 HydrophobicContact CD1-CE1 3.76Å; F591-F648 HydrophobicContact CD2-CE1 4.01Å; F591-F648 HydrophobicContact CE1-CD1 4.37Å; F591-F648 HydrophobicContact CE1-CE1 4.25Å; F591-F648 HydrophobicContact CE2-CE1 4.49Å; F591-F648 AromaticContact CG-CD1 3.7Å; F591-F648 HydrophobicContact CG-CD1 3.7Å; F591-F648 AromaticContact CG-CE1 3.61Å; F591-F648 HydrophobicContact CG-CE1 3.61Å; F591-Q911 HydrophobicContact CE1-CB 4.05Å; F591-I912 HydrophobicContact CE1-CG1 4.27Å; F591-I912 HydrophobicContact CZ-CG1 4.11Å; F591-V915 HydrophobicContact CZ-CG2 4.07Å | ||
| 592 | D | 89.6 | Confident | 90.2 | Very high | 33 Ų | 33 | 28.6 Ų | 28.6 | 18% | 0.176 | 15% | 0.15 | C | C | . | . | trans | -112.6 | 116.5 | 170.3 | 178.4 | 65 | 0 | 0 | 0 | 110.6 | F536 N590 D594 T595 V596 | F536-D592 HydrophobicContact CD2-CB 4.24Å; N590-D592 PolarHBondContact O-N 3.14Å; N590-D592 VanDerWaalsContact O-N 3.09Å; D592-D594 PolarHBondContact O-N 3.14Å; D592-T595 PolarHBondContact O-N 3.03Å; D592-T595 WeakPolarHBondContact OD2-CB 3.43Å; D592-T595 PolarHBondContact OD2-N 2.63Å; D592-T595 PolarHBondContact OD2-OG1 3.4Å; D592-V596 WeakPolarHBondContact O-CG2 3.34Å; D592-V596 PolarHBondContact O-N 3.07Å; D592-V596 VanDerWaalsContact O-N 3.13Å | ||
| 593 | P | 87.2 | Confident | 89.8 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61 | -40.3 | -175 | -26.5 | 35.6 | 0 | 0 | 0 | 114.2 | F591 V596 I597 Q911 Y914 V915 | F591-P593 HydrophobicContact CD1-CG 4.42Å; F591-P593 HydrophobicContact CE1-CG 3.94Å; P593-V596 PolarHBondContact O-N 3.42Å; P593-I597 WeakPolarHBondContact O-CD1 3.35Å; P593-I597 VanDerWaalsContact O-CG1 3.24Å; P593-I597 WeakPolarHBondContact O-CG1 3.4Å; P593-I597 PolarHBondContact O-N 3.46Å; P593-Q911 HydrophobicContact CG-CB 3.85Å; P593-Q911 HydrophobicContact CG-CG 4.03Å; P593-Y914 HydrophobicContact CB-CD1 3.67Å; P593-Y914 HydrophobicContact CB-CE1 3.88Å; P593-V915 HydrophobicContact CB-CG2 3.77Å |
| 594 | D | 87.3 | Confident | 89 | Confident | 40 Ų | 40 | 36.2 Ų | 36.2 | 21% | 0.214 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.7 | -37 | -176.5 | -66.4 | -45.4 | 0 | 0 | 0 | 111.3 | V490 D592 I597 W598 Q653 Y914 | V490-D594 HydrophobicContact CG1-CB 4.18Å; D592-D594 PolarHBondContact O-N 3.14Å; D594-I597 PolarHBondContact O-N 2.87Å; D594-W598 VanDerWaalsContact O-CB 3.25Å; D594-W598 WeakPolarHBondContact O-CB 3.37Å; D594-W598 PolarHBondContact O-N 2.95Å; D594-Q653 PolarHBondContact OD2-NE2 2.66Å; D594-Y914 VanDerWaalsContact OD1-CE1 3.3Å; D594-Y914 WeakPolarHBondContact OD1-CE1 3.35Å; D594-Y914 PolarHBondContact OD1-OH 3.49Å |
| 595 | T | 90.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 172.6 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | M391 C489 V490 F536 D592 W598 L599 | M391-T595 HydrophobicContact CE-CG2 3.85Å; M391-T595 HydrophobicContact SD-CG2 4.21Å; C489-T595 VanDerWaalsContact CA-OG1 3.28Å; C489-T595 WeakPolarHBondContact CA-OG1 3.33Å; C489-T595 WeakPolarHBondContact CB-OG1 3.37Å; V490-T595 PolarHBondContact N-OG1 2.66Å; F536-T595 HydrophobicContact CB-CG2 4.3Å; F536-T595 HydrophobicContact CD1-CG2 3.85Å; F536-T595 HydrophobicContact CD2-CG2 3.83Å; F536-T595 HydrophobicContact CE1-CG2 4.12Å; F536-T595 HydrophobicContact CE2-CG2 4.11Å; F536-T595 HydrophobicContact CG-CG2 3.73Å; F536-T595 HydrophobicContact CZ-CG2 4.25Å; D592-T595 PolarHBondContact O-N 3.03Å; D592-T595 WeakPolarHBondContact OD2-CB 3.43Å; D592-T595 PolarHBondContact OD2-N 2.63Å; D592-T595 PolarHBondContact OD2-OG1 3.4Å; T595-W598 PolarHBondContact O-N 3.38Å; T595-L599 WeakPolarHBondContact O-CB 3.01Å; T595-L599 PolarHBondContact O-N 2.93Å |
| 596 | V | 88.7 | Confident | 87.9 | Confident | 38 Ų | 38 | 36 Ų | 36 | 23% | 0.23 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.5 | -44.5 | 177 | 173 | 0 | 0 | 0 | 0 | 111.5 | F536 F591 D592 P593 N600 V915 | F536-V596 HydrophobicContact CE2-CG2 4.07Å; F536-V596 HydrophobicContact CZ-CG2 4.07Å; F591-V596 HydrophobicContact CD2-CG2 4.44Å; F591-V596 HydrophobicContact CE2-CG2 4.18Å; D592-V596 WeakPolarHBondContact O-CG2 3.34Å; D592-V596 PolarHBondContact O-N 3.07Å; D592-V596 VanDerWaalsContact O-N 3.13Å; P593-V596 PolarHBondContact O-N 3.42Å; V596-N600 WeakPolarHBondContact O-CB 3.46Å; V596-N600 PolarHBondContact O-N 3.49Å; V596-V915 HydrophobicContact CG1-CG1 3.8Å |
| 597 | I | 85 | Confident | 87.1 | Confident | 9 Ų | 9 | 41.7 Ų | 41.7 | 5% | 0.046 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.4 | -49.2 | 176.9 | -69.4 | 161.9 | 0 | 0 | 0 | 110.6 | P593 D594 T601 Y914 V915 R918 | P593-I597 WeakPolarHBondContact O-CD1 3.35Å; P593-I597 VanDerWaalsContact O-CG1 3.24Å; P593-I597 WeakPolarHBondContact O-CG1 3.4Å; P593-I597 PolarHBondContact O-N 3.46Å; D594-I597 PolarHBondContact O-N 2.87Å; I597-T601 WeakPolarHBondContact O-CB 3.22Å; I597-T601 PolarHBondContact O-N 2.82Å; I597-T601 PolarHBondContact O-OG1 2.97Å; I597-Y914 HydrophobicContact CD1-CD1 3.83Å; I597-Y914 HydrophobicContact CD1-CE1 3.35Å; I597-Y914 HydrophobicContact CD1-CE2 4.41Å; I597-V915 HydrophobicContact CD1-CG2 4.26Å; I597-V915 HydrophobicContact CG1-CB 4.42Å; I597-V915 HydrophobicContact CG1-CG1 4.25Å; I597-V915 HydrophobicContact CG1-CG2 4.21Å; I597-R918 HydrophobicContact CD1-CB 3.76Å; I597-R918 HydrophobicContact CD1-CG 4Å; I597-R918 HydrophobicContact CG1-CB 4.02Å; I597-R918 HydrophobicContact CG1-CG 4.38Å; I597-R918 HydrophobicContact CG2-CB 4.33Å; I597-R918 HydrophobicContact CG2-CG 3.88Å |
| 598 | W | 87.5 | Confident | 86.2 | Confident | 12 Ų | 12 | 43 Ų | 43 | 5% | 0.045 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62 | -48.6 | 179.9 | -178.4 | 88.4 | 0 | 0 | 0 | 111.6 | F371 D373 G389 M391 V490 D594 T595 N600 T601 F602 | F371-W598 HydrophobicContact CB-CH2 3.96Å; D373-W598 HydrophobicContact CB-CZ2 4.31Å; G389-W598 WeakPolarHBondContact O-CZ2 3.42Å; M391-W598 HydrophobicContact CB-CE3 4.21Å; M391-W598 HydrophobicContact CB-CH2 3.79Å; M391-W598 HydrophobicContact CB-CZ3 3.51Å; M391-W598 HydrophobicContact CG-CZ3 4.21Å; M391-W598 HydrophobicContact SD-CE3 3.98Å; M391-W598 HydrophobicContact SD-CZ3 3.58Å; M391-W598 VanDerWaalsContact SD-CZ3 3.58Å; V490-W598 HydrophobicContact CB-CB 4.34Å; V490-W598 HydrophobicContact CB-CD2 4.42Å; V490-W598 HydrophobicContact CB-CG 4.32Å; V490-W598 HydrophobicContact CG1-CB 4.28Å; V490-W598 HydrophobicContact CG2-CB 4.12Å; V490-W598 HydrophobicContact CG2-CD2 3.73Å; V490-W598 HydrophobicContact CG2-CE3 4.27Å; V490-W598 HydrophobicContact CG2-CG 3.64Å; D594-W598 VanDerWaalsContact O-CB 3.25Å; D594-W598 WeakPolarHBondContact O-CB 3.37Å; D594-W598 PolarHBondContact O-N 2.95Å; T595-W598 PolarHBondContact O-N 3.38Å; W598-N600 PolarHBondContact O-N 3.3Å; W598-T601 PolarHBondContact O-N 2.8Å; W598-T601 VanDerWaalsContact O-N 3.13Å; W598-F602 HydrophobicContact CH2-CB 4.4Å; W598-F602 AromaticContact CH2-CD2 3.98Å; W598-F602 HydrophobicContact CH2-CD2 3.98Å; W598-F602 HydrophobicContact CH2-CE2 4.43Å; W598-F602 HydrophobicContact CH2-CG 4.1Å; W598-F602 HydrophobicContact CZ2-CB 4.49Å; W598-F602 AromaticContact CZ2-CD2 3.93Å; W598-F602 HydrophobicContact CZ2-CD2 3.93Å; W598-F602 HydrophobicContact CZ2-CG 4.36Å; W598-F602 HydrophobicContact CZ3-CB 4.41Å; W598-F602 HydrophobicContact CZ3-CG 4.43Å; W598-F602 WeakPolarHBondContact O-CB 3.47Å; W598-F602 PolarHBondContact O-N 2.95Å |
| 599 | L | 88.4 | Confident | 85.2 | Confident | 53 Ų | 53 | 44.8 Ų | 44.8 | 28% | 0.277 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -44.1 | -179.4 | -178.9 | 63.6 | 0 | 0 | 0 | 111.5 | M391 T595 T601 F602 L603 | M391-L599 HydrophobicContact SD-CD1 4.41Å; T595-L599 WeakPolarHBondContact O-CB 3.01Å; T595-L599 PolarHBondContact O-N 2.93Å; L599-T601 VanDerWaalsContact C-N 3.34Å; L599-T601 PolarHBondContact O-N 3.22Å; L599-F602 PolarHBondContact O-N 2.91Å; L599-L603 HydrophobicContact CD1-CD1 3.97Å; L599-L603 HydrophobicContact CD1-CG 4.12Å; L599-L603 HydrophobicContact CG-CD1 3.95Å; L599-L603 HydrophobicContact CG-CG 4.46Å; L599-L603 WeakPolarHBondContact O-CB 3.45Å; L599-L603 VanDerWaalsContact O-CG 3.27Å; L599-L603 WeakPolarHBondContact O-CG 3.37Å; L599-L603 PolarHBondContact O-N 2.84Å |
| 600 | N | 83.6 | Confident | 84.4 | Confident | 73 Ų | 73 | 43.3 Ų | 43.3 | 39% | 0.39 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63 | -40.7 | 175.2 | -176.1 | 90.9 | 0 | 0 | 0 | 111.9 | V596 W598 L604 L919 | V596-N600 WeakPolarHBondContact O-CB 3.46Å; V596-N600 PolarHBondContact O-N 3.49Å; W598-N600 PolarHBondContact O-N 3.3Å; N600-L604 VanDerWaalsContact O-CB 3.22Å; N600-L604 WeakPolarHBondContact O-CB 3.37Å; N600-L604 PolarHBondContact O-N 2.82Å; N600-L919 HydrophobicContact CB-CD1 4.29Å; N600-L919 HydrophobicContact CB-CD2 4.02Å; N600-L919 WeakPolarHBondContact ND2-CD2 3.47Å |
| 601 | T | 81.8 | Confident | 83.2 | Confident | 57 Ų | 57 | 44.5 Ų | 44.5 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.3 | -44.8 | 178.1 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | I597 W598 L599 L604 A605 | I597-T601 WeakPolarHBondContact O-CB 3.22Å; I597-T601 PolarHBondContact O-N 2.82Å; I597-T601 PolarHBondContact O-OG1 2.97Å; W598-T601 PolarHBondContact O-N 2.8Å; W598-T601 VanDerWaalsContact O-N 3.13Å; L599-T601 VanDerWaalsContact C-N 3.34Å; L599-T601 PolarHBondContact O-N 3.22Å; T601-L604 PolarHBondContact O-N 3.23Å; T601-A605 WeakPolarHBondContact O-CB 3.42Å; T601-A605 PolarHBondContact O-N 3.42Å |
| 602 | F | 85.3 | Confident | 81.9 | Confident | 13 Ų | 13 | 46.9 Ų | 46.9 | 6% | 0.057 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 177.1 | -178.9 | -90.7 | 0 | 0 | 0 | 111.9 | L258 V261 F371 W598 L599 L604 A605 L606 | L258-F602 HydrophobicContact CB-CE2 4.24Å; L258-F602 HydrophobicContact CD1-CE2 4.19Å; L258-F602 HydrophobicContact CD1-CZ 4.39Å; V261-F602 HydrophobicContact CG2-CZ 4.26Å; F371-F602 HydrophobicContact CB-CZ 4.4Å; F371-F602 HydrophobicContact CD1-CE1 4.39Å; F371-F602 HydrophobicContact CD1-CZ 4.18Å; W598-F602 HydrophobicContact CH2-CB 4.4Å; W598-F602 AromaticContact CH2-CD2 3.98Å; W598-F602 HydrophobicContact CH2-CD2 3.98Å; W598-F602 HydrophobicContact CH2-CE2 4.43Å; W598-F602 HydrophobicContact CH2-CG 4.1Å; W598-F602 HydrophobicContact CZ2-CB 4.49Å; W598-F602 AromaticContact CZ2-CD2 3.93Å; W598-F602 HydrophobicContact CZ2-CD2 3.93Å; W598-F602 HydrophobicContact CZ2-CG 4.36Å; W598-F602 HydrophobicContact CZ3-CB 4.41Å; W598-F602 HydrophobicContact CZ3-CG 4.43Å; W598-F602 WeakPolarHBondContact O-CB 3.47Å; W598-F602 PolarHBondContact O-N 2.95Å; L599-F602 PolarHBondContact O-N 2.91Å; F602-L604 PolarHBondContact O-N 3.48Å; F602-A605 PolarHBondContact O-N 3.03Å; F602-L606 WeakPolarHBondContact O-CB 3.3Å; F602-L606 PolarHBondContact O-N 3.12Å |
| 603 | L | 84.8 | Confident | 80.5 | Confident | 91 Ų | 91 | 47.1 Ų | 47.1 | 48% | 0.476 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66 | -37.6 | 178.9 | -70.1 | 174.5 | 0 | 0 | 0 | 112.5 | L599 Q607 | L599-L603 HydrophobicContact CD1-CD1 3.97Å; L599-L603 HydrophobicContact CD1-CG 4.12Å; L599-L603 HydrophobicContact CG-CD1 3.95Å; L599-L603 HydrophobicContact CG-CG 4.46Å; L599-L603 WeakPolarHBondContact O-CB 3.45Å; L599-L603 VanDerWaalsContact O-CG 3.27Å; L599-L603 WeakPolarHBondContact O-CG 3.37Å; L599-L603 PolarHBondContact O-N 2.84Å; L603-Q607 VanDerWaalsContact O-CB 3.28Å; L603-Q607 WeakPolarHBondContact O-CB 3.48Å; L603-Q607 PolarHBondContact O-N 2.89Å |
| 604 | L | 78.3 | Confident | 79.3 | Confident | 103 Ų | 103 | 50.2 Ų | 50.2 | 54% | 0.539 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -68.7 | -40.5 | 176.4 | -176.7 | 63.4 | 0 | 0 | 0 | 111.8 | N600 T601 F602 Q607 S608 | N600-L604 VanDerWaalsContact O-CB 3.22Å; N600-L604 WeakPolarHBondContact O-CB 3.37Å; N600-L604 PolarHBondContact O-N 2.82Å; T601-L604 PolarHBondContact O-N 3.23Å; F602-L604 PolarHBondContact O-N 3.48Å; L604-Q607 PolarHBondContact O-N 2.84Å; L604-S608 VanDerWaalsContact O-CB 3.24Å; L604-S608 WeakPolarHBondContact O-CB 3.35Å; L604-S608 PolarHBondContact O-N 3.32Å |
| 605 | A | 80.6 | Confident | 77.7 | Confident | 31 Ų | 31 | 51.8 Ų | 51.8 | 26% | 0.256 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.6 | -49.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L258 T601 F602 Q607 S608 N609 | L258-A605 HydrophobicContact CD2-CB 3.94Å; T601-A605 WeakPolarHBondContact O-CB 3.42Å; T601-A605 PolarHBondContact O-N 3.42Å; F602-A605 PolarHBondContact O-N 3.03Å; A605-Q607 PolarHBondContact O-N 3.5Å; A605-S608 PolarHBondContact O-N 2.96Å; A605-N609 WeakPolarHBondContact O-CB 3.42Å; A605-N609 VanDerWaalsContact O-CG 3.25Å; A605-N609 PolarHBondContact O-N 2.87Å |
| 606 | L | 85 | Confident | 75.6 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 12% | 0.115 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57 | -46.9 | 175.7 | 179.9 | 63.5 | 0 | 0 | 0 | 111.9 | L258 V261 E262 I265 F602 L610 | L258-L606 HydrophobicContact CD1-CB 3.85Å; L258-L606 HydrophobicContact CD1-CD1 4.1Å; V261-L606 HydrophobicContact CB-CD1 4.18Å; V261-L606 HydrophobicContact CG1-CD1 3.76Å; V261-L606 HydrophobicContact CG1-CD2 3.92Å; E262-L606 HydrophobicContact CG-CD1 3.66Å; I265-L606 HydrophobicContact CD1-CD1 4.37Å; F602-L606 WeakPolarHBondContact O-CB 3.3Å; F602-L606 PolarHBondContact O-N 3.12Å; L606-L610 HydrophobicContact CD1-CD1 3.78Å; L606-L610 HydrophobicContact CD1-CG 4.06Å; L606-L610 HydrophobicContact CG-CD1 3.86Å; L606-L610 HydrophobicContact CG-CG 4.47Å; L606-L610 VanDerWaalsContact O-CB 3.25Å; L606-L610 WeakPolarHBondContact O-CB 3.49Å; L606-L610 WeakPolarHBondContact O-CG 3.5Å; L606-L610 PolarHBondContact O-N 3.13Å |
| 607 | Q | 80.1 | Confident | 73.6 | Confident | 131 Ų | 131 | 59.4 Ų | 59.4 | 61% | 0.612 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.7 | -45 | 178.3 | -177.9 | 179.9 | -1 | 0 | 0 | 111.9 | L603 L604 A605 S611 | L603-Q607 VanDerWaalsContact O-CB 3.28Å; L603-Q607 WeakPolarHBondContact O-CB 3.48Å; L603-Q607 PolarHBondContact O-N 2.89Å; L604-Q607 PolarHBondContact O-N 2.84Å; A605-Q607 PolarHBondContact O-N 3.5Å; Q607-S611 WeakPolarHBondContact O-CB 3.39Å; Q607-S611 PolarHBondContact O-N 3.15Å |
| 608 | S | 74.3 | Confident | 71.5 | Confident | 60 Ų | 60 | 65 Ų | 65 | 42% | 0.42 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.5 | -54.1 | 177.9 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | L604 A605 S611 T612 | L604-S608 VanDerWaalsContact O-CB 3.24Å; L604-S608 WeakPolarHBondContact O-CB 3.35Å; L604-S608 PolarHBondContact O-N 3.32Å; A605-S608 PolarHBondContact O-N 2.96Å; S608-S611 WeakPolarHBondContact O-CB 3.23Å; S608-S611 PolarHBondContact O-N 2.93Å; S608-S611 VanDerWaalsContact O-N 3.15Å; S608-S611 PolarHBondContact O-OG 3.4Å; S608-T612 PolarHBondContact O-N 2.89Å |
| 609 | N | 73.6 | Confident | 68.7 | Low | 54 Ų | 54 | 72.1 Ų | 72.1 | 29% | 0.289 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.5 | -48.1 | -178.1 | -65.6 | -9.6 | 0 | 0 | 0 | 111.2 | E262 A605 S611 T612 F613 | E262-N609 HydrophobicContact CG-CB 4.47Å; E262-N609 WeakPolarHBondContact OE1-CB 3.16Å; E262-N609 PolarHBondContact OE1-ND2 3.09Å; A605-N609 WeakPolarHBondContact O-CB 3.42Å; A605-N609 VanDerWaalsContact O-CG 3.25Å; A605-N609 PolarHBondContact O-N 2.87Å; N609-S611 PolarHBondContact O-N 2.83Å; N609-T612 PolarHBondContact O-N 3.29Å; N609-T612 VanDerWaalsContact O-N 3.1Å; N609-T612 PolarHBondContact O-OG1 3.04Å; N609-F613 HydrophobicContact CB-CE2 4.29Å; N609-F613 WeakPolarHBondContact O-CD2 3.37Å; N609-F613 PolarHBondContact O-N 2.83Å |
| 610 | L | 76.9 | Confident | 66.1 | Low | 22 Ų | 22 | 78.8 Ų | 78.8 | 12% | 0.115 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -56.8 | -37.2 | 174.5 | -71.4 | 174.2 | 0 | 0 | 0 | 112.4 | E262 I265 L606 T612 F613 L614 | E262-L610 HydrophobicContact CG-CD2 4.45Å; I265-L610 HydrophobicContact CB-CD2 4.02Å; I265-L610 HydrophobicContact CD1-CD1 3.71Å; I265-L610 HydrophobicContact CD1-CD2 4.35Å; I265-L610 HydrophobicContact CG2-CD1 4.24Å; I265-L610 HydrophobicContact CG2-CD2 3.64Å; L606-L610 HydrophobicContact CD1-CD1 3.78Å; L606-L610 HydrophobicContact CD1-CG 4.06Å; L606-L610 HydrophobicContact CG-CD1 3.86Å; L606-L610 HydrophobicContact CG-CG 4.47Å; L606-L610 VanDerWaalsContact O-CB 3.25Å; L606-L610 WeakPolarHBondContact O-CB 3.49Å; L606-L610 WeakPolarHBondContact O-CG 3.5Å; L606-L610 PolarHBondContact O-N 3.13Å; L610-T612 VanDerWaalsContact C-N 3.32Å; L610-T612 PolarHBondContact O-N 2.81Å; L610-F613 PolarHBondContact O-N 2.88Å; L610-L614 WeakPolarHBondContact O-CB 3.44Å; L610-L614 VanDerWaalsContact O-CD1 3.3Å; L610-L614 WeakPolarHBondContact O-CD1 3.33Å; L610-L614 WeakPolarHBondContact O-CG 3.49Å; L610-L614 PolarHBondContact O-N 2.79Å |
| 611 | S | 67.8 | Low | 63.4 | Low | 50 Ų | 50 | 80.5 Ų | 80.5 | 35% | 0.35 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -63.9 | -35.7 | 178.8 | 79 | 0 | 0 | 0 | 0 | 113 | Q607 S608 N609 C615 | Q607-S611 WeakPolarHBondContact O-CB 3.39Å; Q607-S611 PolarHBondContact O-N 3.15Å; S608-S611 WeakPolarHBondContact O-CB 3.23Å; S608-S611 PolarHBondContact O-N 2.93Å; S608-S611 VanDerWaalsContact O-N 3.15Å; S608-S611 PolarHBondContact O-OG 3.4Å; N609-S611 PolarHBondContact O-N 2.83Å; S611-C615 WeakPolarHBondContact O-CB 3.49Å; S611-C615 PolarHBondContact O-N 2.84Å |
| 612 | T | 63.9 | Low | 60.9 | Low | 90 Ų | 90 | 83.9 Ų | 83.9 | 55% | 0.552 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -71 | -45.8 | 177.5 | 65 | 0 | 0 | 0 | 0 | 111.3 | S608 N609 L610 L614 C615 G616 | S608-T612 PolarHBondContact O-N 2.89Å; N609-T612 PolarHBondContact O-N 3.29Å; N609-T612 VanDerWaalsContact O-N 3.1Å; N609-T612 PolarHBondContact O-OG1 3.04Å; L610-T612 VanDerWaalsContact C-N 3.32Å; L610-T612 PolarHBondContact O-N 2.81Å; T612-L614 VanDerWaalsContact C-N 3.27Å; T612-L614 PolarHBondContact O-N 2.76Å; T612-C615 PolarHBondContact O-N 3.46Å; T612-G616 PolarHBondContact O-N 2.83Å |
| 613 | F | 60.7 | Low | 58.3 | Low | 37 Ų | 37 | 87.8 Ų | 87.8 | 16% | 0.162 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -58.4 | -36.9 | 174.8 | -69.1 | -68.2 | 0 | 0 | 0 | 112.8 | E198 L199 E262 V266 N609 L610 | E198-F613 HydrophobicContact CB-CD1 4.11Å; E198-F613 HydrophobicContact CB-CE1 3.63Å; L199-F613 HydrophobicContact CD2-CE1 4Å; L199-F613 HydrophobicContact CD2-CZ 3.91Å; E262-F613 HydrophobicContact CB-CE2 4.5Å; E262-F613 WeakPolarHBondContact OE2-CE2 3.46Å; V266-F613 HydrophobicContact CG2-CB 4.44Å; V266-F613 HydrophobicContact CG2-CG 4.45Å; N609-F613 HydrophobicContact CB-CE2 4.29Å; N609-F613 WeakPolarHBondContact O-CD2 3.37Å; N609-F613 PolarHBondContact O-N 2.83Å; L610-F613 PolarHBondContact O-N 2.88Å |
| 614 | L | 61.6 | Low | 55.8 | Low | 68 Ų | 68 | 89 Ų | 89 | 36% | 0.356 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.6 | -45.5 | -178.1 | -66.8 | 166.2 | 0 | 0 | 0 | 112.5 | R269 L610 T612 G616 R617 | R269-L614 VanDerWaalsContact CD-CD2 3.5Å; L610-L614 WeakPolarHBondContact O-CB 3.44Å; L610-L614 VanDerWaalsContact O-CD1 3.3Å; L610-L614 WeakPolarHBondContact O-CD1 3.33Å; L610-L614 WeakPolarHBondContact O-CG 3.49Å; L610-L614 PolarHBondContact O-N 2.79Å; T612-L614 VanDerWaalsContact C-N 3.27Å; T612-L614 PolarHBondContact O-N 2.76Å; L614-G616 PolarHBondContact O-N 2.79Å; L614-R617 PolarHBondContact O-N 2.92Å |
| 615 | C | 52.7 | Low | 53.7 | Low | 74 Ų | 74 | 90.4 Ų | 90.4 | 50% | 0.5 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.9 | -28.4 | -176.2 | -154.7 | 0 | 0 | 0 | 0 | 112.1 | S611 T612 R617 | S611-C615 WeakPolarHBondContact O-CB 3.49Å; S611-C615 PolarHBondContact O-N 2.84Å; T612-C615 PolarHBondContact O-N 3.46Å; C615-R617 PolarHBondContact O-N 3.14Å |
| 616 | G | 48 | Very low | 51.7 | Low | 60 Ų | 60 | 92.9 Ų | 92.9 | 62% | 0.619 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T612 L614 | T612-G616 PolarHBondContact O-N 2.83Å; L614-G616 PolarHBondContact O-N 2.79Å |
| 617 | R | 46.1 | Very low | 49.4 | Very low | 138 Ų | 138 | 96.9 Ų | 96.9 | 52% | 0.521 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -24.9 | -174.4 | -103.3 | 176.3 | 137.1 | 129.9 | -7.3 | 115.6 | L614 C615 M619 | L614-R617 PolarHBondContact O-N 2.92Å; C615-R617 PolarHBondContact O-N 3.14Å; R617-M619 PolarHBondContact O-N 2.8Å |
| 618 | D | 40.3 | Very low | 47.6 | Very low | 126 Ų | 126 | 95.6 Ų | 95.6 | 67% | 0.674 | 53% | 0.526 | S | S | * | . | trans | -87.9 | 1.9 | -166.7 | -79.6 | -14.9 | 0 | 0 | 0 | 115.6 | K620 | D618-K620 PolarHBondContact O-N 3.18Š| ||
| 619 | M | 29.5 | Very low | 46.3 | Very low | 162 Ų | 162 | 96.6 Ų | 96.6 | 80% | 0.798 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | 8.6 | -179.2 | -83.6 | -68.8 | -178.8 | 0 | 0 | 116.1 | R617 | R617-M619 PolarHBondContact O-N 2.8Š|
| 620 | K | 32.8 | Very low | 45 | Very low | 193 Ų | 193 | 100.6 Ų | 100.6 | 84% | 0.839 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115 | -14.5 | 178.6 | -82.3 | -174.2 | 177 | 175.8 | 0 | 116.9 | D618 | D618-K620 PolarHBondContact O-N 3.18Š|
| 621 | N | 28.1 | Very low | 43.9 | Very low | 108 Ų | 108 | 101 Ų | 101 | 58% | 0.578 | 54% | 0.544 | S | S | * | . | trans | -163.5 | 84.8 | 174 | -91.3 | -39.4 | 0 | 0 | 0 | 112.8 | S623 | N621-S623 PolarHBondContact O-N 3.39Š| ||
| 622 | P | 29 | Very low | 43.4 | Very low | 128 Ų | 128 | 102.3 Ų | 102.3 | 83% | 0.831 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -11 | 176.2 | 29.6 | -35.6 | 0 | 0 | 0 | 114 | N624 | P622-N624 VanDerWaalsContact C-N 3.34Š|
| 623 | S | 31.1 | Very low | 43.2 | Very low | 96 Ų | 96 | 100.4 Ų | 100.4 | 67% | 0.671 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -14.9 | -179.9 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | N621 Q625 | N621-S623 PolarHBondContact O-N 3.39Å; S623-Q625 PolarHBondContact O-N 2.8Å |
| 624 | N | 30.8 | Very low | 43.3 | Very low | 115 Ų | 115 | 102.9 Ų | 102.9 | 62% | 0.615 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -92.7 | 87.4 | 179.4 | -79 | -4.9 | 0 | 0 | 0 | 110.5 | P622 | P622-N624 VanDerWaalsContact C-N 3.34Š|
| 625 | Q | 34.9 | Very low | 43.9 | Very low | 134 Ų | 134 | 101.4 Ų | 101.4 | 63% | 0.626 | 53% | 0.531 | S | S | * | . | trans | 30.6 | 97.5 | 148.2 | -168 | 172.6 | 13.4 | 0 | 0 | 115 | S623 N627 | S623-Q625 PolarHBondContact O-N 2.8Å; Q625-N627 PolarHBondContact O-N 2.71Å | ||
| 626 | S | 37.7 | Very low | 45.2 | Very low | 83 Ų | 83 | 98.4 Ų | 98.4 | 58% | 0.58 | 51% | 0.51 | S | S | * | . | trans | -34.7 | 100.7 | 179.6 | 54.7 | 0 | 0 | 0 | 0 | 113.8 | R628 | S626-R628 PolarHBondContact O-N 3.43Š| ||
| 627 | N | 37.7 | Very low | 47.1 | Very low | 106 Ų | 106 | 96.5 Ų | 96.5 | 57% | 0.567 | 49% | 0.486 | S | S | * | . | trans | -73.7 | 66.6 | 174.7 | -75.7 | -48 | 0 | 0 | 0 | 109.7 | Q625 L629 | Q625-N627 PolarHBondContact O-N 2.71Å; N627-L629 PolarHBondContact O-N 3.2Å | ||
| 628 | R | 42.5 | Very low | 49.3 | Very low | 103 Ų | 103 | 91.1 Ų | 91.1 | 39% | 0.389 | 47% | 0.466 | S | S | . | . | trans | -77.8 | 110.9 | 168.4 | -67.5 | -173.4 | -174.6 | 172.5 | 7 | 107.8 | S626 F630 D631 N811 | S626-R628 PolarHBondContact O-N 3.43Å; R628-F630 CarbonylContact O-C 3.59Å; R628-F630 PolarHBondContact O-N 3.16Å; R628-D631 PolarHBondContact O-N 2.7Å; R628-N811 PolarHBondContact NH1-OD1 2.91Å; R628-N811 PolarHBondContact NH2-OD1 2.78Å | ||
| 629 | L | 45.8 | Very low | 51.9 | Low | 81 Ų | 81 | 87.6 Ų | 87.6 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -44.2 | -36.4 | 175.2 | -156.6 | 160.9 | 0 | 0 | 0 | 111.8 | R269 E272 N627 | R269-L629 HydrophobicContact CG-CD1 3.83Å; E272-L629 WeakPolarHBondContact OE2-CD1 3.38Å; N627-L629 PolarHBondContact O-N 3.2Å |
| 630 | F | 47.6 | Very low | 54.9 | Low | 138 Ų | 138 | 80.4 Ų | 80.4 | 61% | 0.605 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -123.3 | 103.7 | 160 | -65.2 | -81.4 | 0 | 0 | 0 | 110.7 | R628 L632 | R628-F630 CarbonylContact O-C 3.59Å; R628-F630 PolarHBondContact O-N 3.16Å; F630-L632 HydrophobicContact CB-CG 4.48Å; F630-L632 PolarHBondContact O-N 3.19Å |
| 631 | D | 54 | Low | 57.9 | Low | 31 Ų | 31 | 71.5 Ų | 71.5 | 17% | 0.166 | 37% | 0.373 | C | S | . | . | trans | -76.3 | 82.2 | 161.9 | -170.5 | 6.8 | 0 | 0 | 0 | 108.3 | R628 N633 R634 | R628-D631 PolarHBondContact O-N 2.7Å; D631-N633 PolarHBondContact O-N 3.5Å; D631-N633 WeakPolarHBondContact OD1-CB 3.22Å; D631-R634 HydrophobicContact CB-CG 4.3Å; D631-R634 PolarHBondContact O-N 2.82Å; D631-R634 IonicContact OD2-CZ 2.86Å; D631-R634 IonicContact OD2-NE 3.89Å; D631-R634 PolarHBondContact OD2-NE 2.77Å; D631-R634 IonicContact OD2-NH2 2.71Å; D631-R634 PolarHBondContact OD2-NH2 3.38Å | ||
| 632 | L | 56.5 | Low | 61 | Low | 78 Ų | 78 | 68.6 Ų | 68.6 | 41% | 0.408 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -54.3 | -22.9 | -177.9 | -75.7 | 164.3 | 0 | 0 | 0 | 112.4 | F630 R634 Y635 Q752 | F630-L632 HydrophobicContact CB-CG 4.48Å; F630-L632 PolarHBondContact O-N 3.19Å; L632-R634 PolarHBondContact O-N 3.39Å; L632-Y635 PolarHBondContact O-N 3.35Å; L632-Y635 VanDerWaalsContact O-N 3.08Å; L632-Q752 VanDerWaalsContact C-NE2 3.32Å |
| 633 | N | 58.9 | Low | 64.2 | Low | 49 Ų | 49 | 65 Ų | 65 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -57.9 | -16.7 | 174.8 | -56.5 | 27.1 | 0 | 0 | 0 | 113.5 | D631 A682 Q752 I810 | D631-N633 PolarHBondContact O-N 3.5Å; D631-N633 WeakPolarHBondContact OD1-CB 3.22Å; N633-A682 WeakPolarHBondContact O-CB 3.37Å; N633-Q752 PolarHBondContact OD1-NE2 2.93Å; N633-I810 VanDerWaalsContact OD1-CD1 3.22Å; N633-I810 WeakPolarHBondContact OD1-CD1 3.46Å; N633-I810 WeakPolarHBondContact OD1-CG2 3.42Å |
| 634 | R | 62.9 | Low | 67.3 | Low | 90 Ų | 90 | 61 Ų | 61 | 34% | 0.34 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -98.2 | -13.5 | -179.7 | -54.3 | -174.9 | -163.8 | -179.3 | 8.8 | 113.9 | P577 C578 D631 L632 | P577-R634 CarbonylContact C-O 3.6Å; P577-R634 WeakPolarHBondContact CA-O 3.45Å; C578-R634 PolarHBondContact N-O 3.33Å; D631-R634 HydrophobicContact CB-CG 4.3Å; D631-R634 PolarHBondContact O-N 2.82Å; D631-R634 IonicContact OD2-CZ 2.86Å; D631-R634 IonicContact OD2-NE 3.89Å; D631-R634 PolarHBondContact OD2-NE 2.77Å; D631-R634 IonicContact OD2-NH2 2.71Å; D631-R634 PolarHBondContact OD2-NH2 3.38Å; L632-R634 PolarHBondContact O-N 3.39Å |
| 635 | Y | 75.3 | Confident | 70.3 | Confident | 37 Ų | 37 | 55.8 Ų | 55.8 | 15% | 0.145 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115 | -171.7 | -75.9 | -87 | 0 | 0 | 0 | 111.5 | N559 C578 L580 L632 V637 | N559-Y635 PolarHBondContact ND2-OH 3.37Å; N559-Y635 WeakPolarHBondContact OD1-CE1 3.45Å; N559-Y635 PolarHBondContact OD1-OH 3.37Å; C578-Y635 HydrophobicContact CB-CD1 3.52Å; C578-Y635 HydrophobicContact CB-CE1 3.24Å; C578-Y635 HydrophobicContact CB-CE2 4.3Å; C578-Y635 HydrophobicContact CB-CG 4.15Å; C578-Y635 WeakPolarHBondContact O-CA 3.22Å; L580-Y635 HydrophobicContact CB-CD1 4.33Å; L632-Y635 PolarHBondContact O-N 3.35Å; L632-Y635 VanDerWaalsContact O-N 3.08Å; Y635-V637 PolarHBondContact O-N 2.9Å |
| 636 | H | 80.4 | Confident | 73.1 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.046 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 122.1 | 154.3 | -58.6 | -79.6 | 0 | 0 | 0 | 107.2 | W428 I432 C578 S579 L580 A682 | W428-H636 HydrophobicContact CH2-CB 4.11Å; W428-H636 HydrophobicContact CZ2-CB 3.97Å; I432-H636 HydrophobicContact CD1-CB 3.92Å; C578-H636 PolarHBondContact O-N 3Å; S579-H636 WeakPolarHBondContact CA-O 3.41Å; L580-H636 PolarHBondContact N-O 3.49Å; H636-A682 PolarHBondContact CE1-O 3.32Å; H636-A682 VanDerWaalsContact CE1-O 3.3Å; H636-A682 PolarHBondContact ND1-N 3.17Å |
| 637 | V | 87.5 | Confident | 75.8 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 13% | 0.127 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.1 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | L580 Y635 Q679 S680 | L580-V637 HydrophobicContact CB-CG1 4.47Å; L580-V637 HydrophobicContact CB-CG2 4.28Å; L580-V637 HydrophobicContact CD2-CG1 4.06Å; L580-V637 HydrophobicContact CD2-CG2 4.27Å; L580-V637 HydrophobicContact CG-CG1 4.41Å; L580-V637 CarbonylContact O-C 3.49Å; L580-V637 WeakPolarHBondContact O-CA 3.5Å; Y635-V637 PolarHBondContact O-N 2.9Å; V637-Q679 CarbonylContact O-C 3.58Å; V637-Q679 VanDerWaalsContact O-CA 3.27Å; V637-Q679 WeakPolarHBondContact O-CA 3.4Å; V637-S680 PolarHBondContact N-O 2.59Å; V637-S680 PolarHBondContact O-N 2.99Å |
| 638 | R | 91.5 | Very high | 78.3 | Confident | 24 Ų | 24 | 43.9 Ų | 43.9 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 129.3 | 163.8 | 177.6 | 170.6 | 171.9 | 144.4 | -12.5 | 110.1 | W428 L580 F581 C582 E640 I677 V678 | W428-R638 HydrophobicContact CD2-CB 3.9Å; W428-R638 HydrophobicContact CD2-CG 4.46Å; W428-R638 VanDerWaalsContact CE2-CB 3.43Å; W428-R638 HydrophobicContact CE3-CB 4.39Å; W428-R638 HydrophobicContact CG-CB 4.41Å; W428-R638 HydrophobicContact CH2-CB 4.05Å; W428-R638 HydrophobicContact CZ2-CB 3.51Å; W428-R638 HydrophobicContact CZ3-CB 4.47Å; L580-R638 PolarHBondContact O-N 3.41Å; F581-R638 CarbonylContact C-O 3.59Å; F581-R638 WeakPolarHBondContact CA-O 3.49Å; F581-R638 HydrophobicContact CD2-CB 4.06Å; F581-R638 HydrophobicContact CD2-CG 4.17Å; F581-R638 HydrophobicContact CE2-CB 4.41Å; F581-R638 HydrophobicContact CE2-CG 4.01Å; C582-R638 PolarHBondContact N-O 3.31Å; R638-E640 HydrophobicContact CG-CG 4.28Å; R638-E640 IonicContact CZ-OE1 3.79Å; R638-E640 IonicContact NE-OE1 2.77Å; R638-E640 PolarHBondContact NE-OE1 2.87Å; R638-E640 IonicContact NH2-OE1 2.95Å; R638-E640 PolarHBondContact NH2-OE1 2.98Å; R638-I677 HydrophobicContact CG-CG2 4.34Å; R638-V678 CarbonylContact C-O 3.55Å; R638-V678 WeakPolarHBondContact CA-O 3.48Å |
| 639 | L | 94.3 | Very high | 80.2 | Confident | 52 Ų | 52 | 41.1 Ų | 41.1 | 27% | 0.272 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 128.2 | 174.7 | 176.4 | 156.4 | 0 | 0 | 0 | 108 | C582 I584 A641 I677 V678 | C582-L639 HydrophobicContact CB-CB 4.1Å; C582-L639 HydrophobicContact CB-CD1 4.43Å; C582-L639 HydrophobicContact CB-CG 4.18Å; C582-L639 CarbonylContact O-C 3.51Å; C582-L639 VanDerWaalsContact O-CA 3.3Å; C582-L639 WeakPolarHBondContact O-CA 3.48Å; I584-L639 HydrophobicContact CD1-CD1 4.03Å; I584-L639 HydrophobicContact CD1-CD2 4.25Å; I584-L639 HydrophobicContact CD1-CG 4.23Å; L639-A641 HydrophobicContact CD2-CB 4.31Å; L639-I677 CarbonylContact O-C 3.59Å; L639-I677 WeakPolarHBondContact O-CA 3.49Å; L639-V678 HydrophobicContact CB-CB 4.3Å; L639-V678 HydrophobicContact CD2-CB 4.46Å; L639-V678 HydrophobicContact CD2-CG2 4.22Å; L639-V678 PolarHBondContact N-O 3.43Å; L639-V678 PolarHBondContact O-N 2.72Å |
| 640 | E | 93.9 | Very high | 81.4 | Confident | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 112.1 | 176.1 | -65.6 | -173.9 | -176.8 | 0 | 0 | 109.1 | F581 C582 Q583 I584 R638 Q675 I676 | F581-E640 HydrophobicContact CE2-CG 4.39Å; F581-E640 HydrophobicContact CZ-CG 4.39Å; C582-E640 PolarHBondContact O-N 3.17Å; Q583-E640 CarbonylContact C-O 3.44Å; Q583-E640 WeakPolarHBondContact CA-O 3.46Å; I584-E640 PolarHBondContact N-O 2.85Å; R638-E640 HydrophobicContact CG-CG 4.28Å; R638-E640 IonicContact CZ-OE1 3.79Å; R638-E640 IonicContact NE-OE1 2.77Å; R638-E640 PolarHBondContact NE-OE1 2.87Å; R638-E640 IonicContact NH2-OE1 2.95Å; R638-E640 PolarHBondContact NH2-OE1 2.98Å; E640-Q675 PolarHBondContact OE2-NE2 2.98Å; E640-Q675 VanDerWaalsContact OE2-NE2 3.16Å; E640-I676 WeakPolarHBondContact CA-O 3.28Å |
| 641 | A | 95.5 | Very high | 81.5 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | I584 F587 L639 P644 Q675 I676 | I584-A641 HydrophobicContact CB-CB 4.31Å; I584-A641 WeakPolarHBondContact O-CA 3.23Å; F587-A641 HydrophobicContact CE1-CB 3.9Å; L639-A641 HydrophobicContact CD2-CB 4.31Å; A641-P644 HydrophobicContact CB-CG 4.29Å; A641-Q675 CarbonylContact O-C 3.43Å; A641-Q675 VanDerWaalsContact O-CA 3.23Å; A641-Q675 WeakPolarHBondContact O-CA 3.39Å; A641-I676 HydrophobicContact CB-CB 4.34Å; A641-I676 PolarHBondContact N-O 2.73Å; A641-I676 PolarHBondContact O-N 2.83Å |
| 642 | L | 93.9 | Very high | 81.1 | Confident | 47 Ų | 47 | 35.6 Ų | 35.6 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.3 | -179.4 | -57.4 | 179.1 | 0 | 0 | 0 | 110.5 | I584 P586 Q675 | I584-L642 PolarHBondContact O-N 3.48Å; P586-L642 WeakPolarHBondContact CA-O 3.39Å; L642-Q675 HydrophobicContact CD2-CB 4.43Å; L642-Q675 HydrophobicContact CD2-CG 4.01Å |
| 643 | M | 95 | Very high | 80.3 | Confident | 54 Ų | 54 | 36.3 Ų | 36.3 | 27% | 0.266 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 46.3 | 38.5 | -179.4 | -52.2 | -108.4 | 85.4 | 0 | 0 | 117 | H544 P586 S673 D674 W762 | H544-M643 PolarHBondContact CE1-SD 3.02Å; P586-M643 HydrophobicContact CB-CB 4.05Å; P586-M643 HydrophobicContact CG-CB 3.91Å; P586-M643 HydrophobicContact CG-CG 4.2Å; M643-S673 VanDerWaalsContact CA-O 3.28Å; M643-S673 WeakPolarHBondContact CA-O 3.24Å; M643-D674 HydrophobicContact CE-CB 4.17Å; M643-D674 PolarHBondContact N-O 2.83Å; M643-W762 HydrophobicContact CE-CH2 3.85Å |
| 644 | P | 96.4 | Very high | 79 | Confident | 10 Ų | 10 | 38.3 Ų | 38.3 | 7% | 0.065 | 21% | 0.206 | C | C | . | . | trans | -66.3 | 138.3 | -178.4 | 29 | -34.5 | 0 | 0 | 0 | 112.1 | F587 A641 Q672 S673 I676 | F587-P644 HydrophobicContact CD1-CB 4.2Å; F587-P644 HydrophobicContact CE1-CB 3.75Å; F587-P644 HydrophobicContact CZ-CB 3.96Å; F587-P644 WeakPolarHBondContact O-CA 3.3Å; A641-P644 HydrophobicContact CB-CG 4.29Å; P644-Q672 WeakPolarHBondContact O-CA 3.5Å; P644-S673 PolarHBondContact O-N 2.72Å; P644-I676 HydrophobicContact CB-CD1 4.33Å; P644-I676 HydrophobicContact CG-CB 4.41Å; P644-I676 HydrophobicContact CG-CD1 3.48Å; P644-I676 VanDerWaalsContact CG-CD1 3.48Å; P644-I676 HydrophobicContact CG-CG1 3.62Å | ||
| 645 | R | 94 | Very high | 77.3 | Confident | 6 Ų | 6 | 37.6 Ų | 37.6 | 2% | 0.023 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.7 | 178.3 | -54.6 | -165.5 | -62.2 | 151.3 | -2.7 | 111.7 | E528 D540 F587 Y588 I589 I647 I670 Q672 | E528-R645 PolarHBondContact O-NH1 3.32Å; D540-R645 VanDerWaalsContact CG-NH2 3.29Å; D540-R645 IonicContact OD1-CZ 3.39Å; D540-R645 IonicContact OD1-NE 3.8Å; D540-R645 IonicContact OD1-NH2 3.99Å; D540-R645 PolarHBondContact OD1-NH2 3.26Å; D540-R645 IonicContact OD2-CZ 2.76Å; D540-R645 IonicContact OD2-NE 3.74Å; D540-R645 PolarHBondContact OD2-NE 2.78Å; D540-R645 IonicContact OD2-NH2 4Å; D540-R645 PolarHBondContact OD2-NH2 3.25Å; F587-R645 PolarHBondContact O-N 3.31Å; Y588-R645 CarbonylContact C-O 3.52Å; Y588-R645 VanDerWaalsContact CA-O 3.29Å; Y588-R645 WeakPolarHBondContact CA-O 3.47Å; I589-R645 PolarHBondContact N-O 3.39Å; R645-I647 HydrophobicContact CB-CG1 4.33Å; R645-I670 HydrophobicContact CB-CG2 4.28Å; R645-Q672 HydrophobicContact CG-CB 4.43Å; R645-Q672 HydrophobicContact CG-CG 3.96Å |
| 646 | L | 94.7 | Very high | 75.2 | Confident | 49 Ų | 49 | 42.8 Ų | 42.8 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.3 | 165 | 175.7 | 64.6 | 0 | 0 | 0 | 108.3 | I589 F591 F648 I670 L671 | I589-L646 HydrophobicContact CB-CD1 4.04Å; I589-L646 HydrophobicContact CG2-CD1 4.07Å; F591-L646 HydrophobicContact CB-CD1 4.34Å; L646-F648 HydrophobicContact CD2-CE2 3.73Å; L646-F648 HydrophobicContact CD2-CZ 3.67Å; L646-F648 HydrophobicContact CG-CD2 4.49Å; L646-F648 HydrophobicContact CG-CE2 3.84Å; L646-F648 HydrophobicContact CG-CZ 4.06Å; L646-I670 WeakPolarHBondContact O-CA 3.49Å; L646-L671 HydrophobicContact CB-CB 4.32Å; L646-L671 HydrophobicContact CD2-CD2 4.32Å; L646-L671 PolarHBondContact N-O 3.16Å; L646-L671 PolarHBondContact O-N 2.96Å |
| 647 | I | 92.8 | Very high | 72.8 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 115.7 | -171.9 | -53.4 | -179.8 | 0 | 0 | 0 | 109 | Y588 I589 F591 R645 A668 I670 | Y588-I647 HydrophobicContact CG-CD1 4.38Å; I589-I647 PolarHBondContact O-N 3.34Å; F591-I647 PolarHBondContact N-O 2.93Å; R645-I647 HydrophobicContact CB-CG1 4.33Å; I647-A668 HydrophobicContact CG2-CB 4.13Å; I647-I670 HydrophobicContact CG1-CD1 4.4Å; I647-I670 HydrophobicContact CG1-CG1 4.25Å; I647-I670 HydrophobicContact CG2-CG1 4.45Å |
| 648 | F | 90.5 | Very high | 70.1 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 10% | 0.101 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 119.5 | 168.1 | -60.6 | -89 | 0 | 0 | 0 | 108.6 | F591 L646 A668 L669 I908 I912 | F591-F648 HydrophobicContact CB-CD1 3.69Å; F591-F648 HydrophobicContact CB-CE1 3.91Å; F591-F648 HydrophobicContact CB-CG 4.38Å; F591-F648 AromaticContact CD1-CD1 3.62Å; F591-F648 HydrophobicContact CD1-CD1 3.62Å; F591-F648 AromaticContact CD1-CE1 3.76Å; F591-F648 HydrophobicContact CD1-CE1 3.76Å; F591-F648 HydrophobicContact CD2-CE1 4.01Å; F591-F648 HydrophobicContact CE1-CD1 4.37Å; F591-F648 HydrophobicContact CE1-CE1 4.25Å; F591-F648 HydrophobicContact CE2-CE1 4.49Å; F591-F648 AromaticContact CG-CD1 3.7Å; F591-F648 HydrophobicContact CG-CD1 3.7Å; F591-F648 AromaticContact CG-CE1 3.61Å; F591-F648 HydrophobicContact CG-CE1 3.61Å; L646-F648 HydrophobicContact CD2-CE2 3.73Å; L646-F648 HydrophobicContact CD2-CZ 3.67Å; L646-F648 HydrophobicContact CG-CD2 4.49Å; L646-F648 HydrophobicContact CG-CE2 3.84Å; L646-F648 HydrophobicContact CG-CZ 4.06Å; F648-A668 CarbonylContact O-C 3.55Å; F648-A668 WeakPolarHBondContact O-CA 3.15Å; F648-L669 HydrophobicContact CB-CB 4.42Å; F648-L669 HydrophobicContact CD2-CD2 4.36Å; F648-L669 PolarHBondContact N-O 3.18Å; F648-L669 PolarHBondContact O-N 3.07Å; F648-I908 HydrophobicContact CB-CD1 3.44Å; F648-I908 VanDerWaalsContact CB-CD1 3.44Å; F648-I908 HydrophobicContact CB-CG1 3.93Å; F648-I908 HydrophobicContact CD1-CD1 4.36Å; F648-I908 HydrophobicContact CD1-CG1 4.4Å; F648-I908 HydrophobicContact CD1-CG2 3.95Å; F648-I908 HydrophobicContact CD2-CD1 4.38Å; F648-I908 HydrophobicContact CE1-CG2 4.19Å; F648-I908 HydrophobicContact CG-CD1 3.84Å; F648-I908 HydrophobicContact CG-CG1 4.32Å; F648-I908 HydrophobicContact CG-CG2 4.39Å; F648-I912 HydrophobicContact CE1-CD1 4.28Å |
| 649 | S | 83.6 | Confident | 67.2 | Low | 44 Ų | 44 | 58.7 Ų | 58.7 | 31% | 0.308 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 146.3 | 178.5 | 101.7 | 0 | 0 | 0 | 0 | 112 | ||
| 650 | L | 69.1 | Low | 64.5 | Low | 35 Ų | 35 | 58.1 Ų | 58.1 | 18% | 0.183 | 31% | 0.311 | C | S | . | . | trans | -90.4 | -8.3 | -179.1 | -169.1 | 57.1 | 0 | 0 | 0 | 113.5 | G652 W663 H667 F904 Y907 | L650-G652 PolarHBondContact O-N 3.43Å; L650-W663 HydrophobicContact CD2-CZ2 4.34Å; L650-H667 PolarHBondContact N-O 3Å; L650-F904 HydrophobicContact CB-CD2 4.16Å; L650-F904 HydrophobicContact CB-CE2 3.67Å; L650-F904 HydrophobicContact CD2-CD2 3.91Å; L650-F904 HydrophobicContact CD2-CE2 4.29Å; L650-Y907 HydrophobicContact CD1-CD1 4.35Å; L650-Y907 HydrophobicContact CD1-CD2 3.87Å; L650-Y907 HydrophobicContact CD1-CG 3.73Å; L650-Y907 HydrophobicContact CD2-CD2 3.81Å; L650-Y907 HydrophobicContact CD2-CE2 4.22Å | ||
| 651 | F | 50.5 | Low | 62 | Low | 61 Ų | 61 | 60.8 Ų | 60.8 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -87.1 | 92.7 | -177.8 | -67.5 | -84.2 | 0 | 0 | 0 | 112.9 | K533 H667 | K533-F651 HydrophobicContact CD-CB 4.34Å; F651-H667 HydrophobicContact CE2-CB 3.87Å; F651-H667 AromaticContact CE2-CD2 3.33Å; F651-H667 WeakPolarHBondContact CE2-CD2 3.48Å; F651-H667 AromaticContact CE2-CG 3.75Å; F651-H667 AromaticContact CZ-CD2 3.43Å; F651-H667 VanDerWaalsContact CZ-CD2 3.43Å; F651-H667 WeakPolarHBondContact CZ-CD2 3.42Å; F651-H667 AromaticContact CZ-NE2 3.75Å |
| 652 | G | 45.4 | Very low | 59.8 | Low | 39 Ų | 39 | 63.2 Ų | 63.2 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -171.2 | -53.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | L650 R656 | L650-G652 PolarHBondContact O-N 3.43Å; G652-R656 PolarHBondContact O-NE 2.99Å |
| 653 | Q | 39.4 | Very low | 58.1 | Low | 92 Ų | 92 | 64 Ų | 64 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -103.8 | -50.6 | -158.5 | -64.7 | -172.3 | -16.9 | 0 | 0 | 115 | D594 | D594-Q653 PolarHBondContact OD2-NE2 2.66Š|
| 654 | S | 31.9 | Very low | 56.6 | Low | 92 Ų | 92 | 63.8 Ų | 63.8 | 64% | 0.643 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -86 | -22.1 | -165.9 | 58.5 | 0 | 0 | 0 | 0 | 116 | ||
| 655 | N | 28.6 | Very low | 55.4 | Low | 75 Ų | 75 | 63.5 Ų | 63.5 | 40% | 0.401 | 34% | 0.341 | S | S | . | . | trans | -129.2 | 41.2 | -159.5 | -141.3 | 1.8 | 0 | 0 | 0 | 115.8 | H657 T658 S660 | N655-H657 VanDerWaalsContact C-N 3.28Å; N655-T658 PolarHBondContact ND2-OG1 3.43Å; N655-T658 WeakPolarHBondContact OD1-CB 3.47Å; N655-T658 WeakPolarHBondContact OD1-CG2 3.46Å; N655-T658 PolarHBondContact OD1-OG1 3.2Å; N655-S660 WeakPolarHBondContact ND2-CB 3.41Å | ||
| 656 | R | 29.8 | Very low | 54.9 | Low | 145 Ų | 145 | 63.2 Ų | 63.2 | 55% | 0.547 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -77.7 | -10 | 170.2 | -61.2 | -170.1 | -170 | -164.9 | 5.5 | 114 | G652 | G652-R656 PolarHBondContact O-NE 2.99Š|
| 657 | H | 30.9 | Very low | 54.2 | Low | 166 Ų | 166 | 61.3 Ų | 61.3 | 77% | 0.769 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -99.3 | -11.6 | -177.8 | -78.5 | -69.8 | 0 | 0 | 0 | 115 | N655 | N655-H657 VanDerWaalsContact C-N 3.28Š|
| 658 | T | 29.9 | Very low | 54 | Low | 66 Ų | 66 | 61.2 Ų | 61.2 | 41% | 0.405 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -106.4 | 146.1 | 164.6 | 74.3 | 0 | 0 | 0 | 0 | 108.8 | N655 S660 | N655-T658 PolarHBondContact ND2-OG1 3.43Å; N655-T658 WeakPolarHBondContact OD1-CB 3.47Å; N655-T658 WeakPolarHBondContact OD1-CG2 3.46Å; N655-T658 PolarHBondContact OD1-OG1 3.2Å; T658-S660 PolarHBondContact O-N 3.49Å |
| 659 | N | 31.9 | Very low | 54 | Low | 157 Ų | 157 | 60.7 Ų | 60.7 | 84% | 0.84 | 33% | 0.328 | S | S | * | . | trans | -70.2 | 75.8 | 165.9 | -71.9 | -34.3 | 0 | 0 | 0 | 107.7 | S661 | N659-S661 PolarHBondContact O-N 3.44Å; N659-S661 PolarHBondContact O-OG 3.21Å | ||
| 660 | S | 37.9 | Very low | 54.5 | Low | 40 Ų | 40 | 58.6 Ų | 58.6 | 28% | 0.28 | 31% | 0.313 | S | S | . | . | trans | -77.3 | 36.1 | -170.6 | 81.5 | 0 | 0 | 0 | 0 | 113.6 | N655 T658 N662 W663 | N655-S660 WeakPolarHBondContact ND2-CB 3.41Å; T658-S660 PolarHBondContact O-N 3.49Å; S660-N662 PolarHBondContact O-N 3.04Å; S660-W663 PolarHBondContact O-N 3.47Å | ||
| 661 | S | 41.4 | Very low | 55.6 | Low | 68 Ų | 68 | 60 Ų | 60 | 48% | 0.476 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 5.7 | 161.6 | 55.1 | 0 | 0 | 0 | 0 | 113.5 | N659 | N659-S661 PolarHBondContact O-N 3.44Å; N659-S661 PolarHBondContact O-OG 3.21Å |
| 662 | N | 49.1 | Very low | 57.8 | Low | 57 Ų | 57 | 58 Ų | 58 | 31% | 0.305 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 4.3 | -173.8 | -65.4 | 13.2 | 0 | 0 | 0 | 112.6 | S660 I664 | S660-N662 PolarHBondContact O-N 3.04Å; N662-I664 PolarHBondContact O-N 2.87Å |
| 663 | W | 57.4 | Low | 60.1 | Low | 64 Ų | 64 | 56.4 Ų | 56.4 | 24% | 0.242 | 30% | 0.295 | C | S | . | . | trans | -74.5 | 114.7 | 163.6 | -179.9 | -108.9 | 0 | 0 | 0 | 108.7 | L650 S660 G665 P666 D900 I903 | L650-W663 HydrophobicContact CD2-CZ2 4.34Å; S660-W663 PolarHBondContact O-N 3.47Å; W663-G665 PolarHBondContact NE1-O 2.82Å; W663-P666 PolarHBondContact NE1-O 2.87Å; W663-D900 HydrophobicContact CH2-CB 4.2Å; W663-D900 HydrophobicContact CZ2-CB 4.41Å; W663-I903 HydrophobicContact CH2-CB 4.38Å; W663-I903 HydrophobicContact CH2-CG2 3.79Å; W663-I903 HydrophobicContact CZ3-CG2 4.28Å | ||
| 664 | I | 62.6 | Low | 62.6 | Low | 49 Ų | 49 | 54.2 Ų | 54.2 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | trans | -101.7 | -11 | -173.3 | -63.5 | 157 | 0 | 0 | 0 | 111.5 | N662 K892 R894 | N662-I664 PolarHBondContact O-N 2.87Å; I664-K892 HydrophobicContact CD1-CB 3.75Å; I664-K892 HydrophobicContact CD1-CG 4.23Å; I664-R894 HydrophobicContact CG2-CB 4.11Å; I664-R894 HydrophobicContact CG2-CG 3.9Å | ||
| 665 | G | 72.6 | Confident | 65.5 | Low | 3 Ų | 3 | 51.8 Ų | 51.8 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -87.7 | -166.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | W663 H667 D900 | W663-G665 PolarHBondContact NE1-O 2.82Å; G665-H667 PolarHBondContact O-CE1 3.13Å; G665-H667 PolarHBondContact O-N 3.14Å; G665-H667 PolarHBondContact O-ND1 3.48Å; G665-D900 WeakPolarHBondContact CA-OD2 3.48Å |
| 666 | P | 82.2 | Confident | 68.6 | Low | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -58.1 | 140.6 | -177.2 | 22.7 | -33.4 | 0 | 0 | 0 | 112.5 | W663 F765 T767 D900 Q901 F904 | W663-P666 PolarHBondContact NE1-O 2.87Å; P666-F765 HydrophobicContact CB-CB 4.11Å; P666-F765 HydrophobicContact CB-CD1 4Å; P666-F765 HydrophobicContact CB-CG 4.4Å; P666-F765 HydrophobicContact CG-CD1 4.22Å; P666-T767 WeakPolarHBondContact CA-OG1 3.5Å; P666-D900 WeakPolarHBondContact CD-OD2 3.19Å; P666-Q901 HydrophobicContact CG-CG 4.17Å; P666-F904 HydrophobicContact CB-CD2 4.22Å; P666-F904 HydrophobicContact CB-CG 4.3Å; P666-F904 HydrophobicContact CG-CB 3.7Å; P666-F904 HydrophobicContact CG-CD1 4.39Å; P666-F904 HydrophobicContact CG-CD2 3.95Å; P666-F904 HydrophobicContact CG-CG 3.77Å; P666-F904 WeakPolarHBondContact O-CD2 3.43Å; P666-F904 VanDerWaalsContact O-CE2 3.26Å; P666-F904 WeakPolarHBondContact O-CE2 3.33Å | ||
| 667 | H | 80.2 | Confident | 71.5 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.046 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -97.9 | -35.2 | -174.7 | -74.1 | 47.3 | 0 | 0 | 0 | 111.3 | L650 F651 G665 L766 I768 | L650-H667 PolarHBondContact N-O 3Å; F651-H667 HydrophobicContact CE2-CB 3.87Å; F651-H667 AromaticContact CE2-CD2 3.33Å; F651-H667 WeakPolarHBondContact CE2-CD2 3.48Å; F651-H667 AromaticContact CE2-CG 3.75Å; F651-H667 AromaticContact CZ-CD2 3.43Å; F651-H667 VanDerWaalsContact CZ-CD2 3.43Å; F651-H667 WeakPolarHBondContact CZ-CD2 3.42Å; F651-H667 AromaticContact CZ-NE2 3.75Å; G665-H667 PolarHBondContact O-CE1 3.13Å; G665-H667 PolarHBondContact O-N 3.14Å; G665-H667 PolarHBondContact O-ND1 3.48Å; H667-L766 WeakPolarHBondContact CA-O 3.41Å; H667-L766 WeakPolarHBondContact CB-O 3.15Å; H667-L766 PolarHBondContact N-O 2.86Å; H667-I768 HydrophobicContact CB-CD1 4.46Å; H667-I768 HydrophobicContact CB-CG1 4.28Å; H667-I768 PolarHBondContact CE1-O 2.92Å; H667-I768 PolarHBondContact ND1-N 2.82Å |
| 668 | A | 88.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 153.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | I529 I647 F648 F765 L766 | I529-A668 HydrophobicContact CD1-CB 4.24Å; I647-A668 HydrophobicContact CG2-CB 4.13Å; F648-A668 CarbonylContact O-C 3.55Å; F648-A668 WeakPolarHBondContact O-CA 3.15Å; A668-F765 WeakPolarHBondContact O-CA 3.27Å; A668-L766 HydrophobicContact CB-CB 4.49Å; A668-L766 PolarHBondContact N-O 3.43Å; A668-L766 PolarHBondContact O-N 3.05Å |
| 669 | L | 91.8 | Very high | 77.1 | Confident | 11 Ų | 11 | 34.3 Ų | 34.3 | 6% | 0.058 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.9 | 159.4 | 174.6 | 77.1 | 0 | 0 | 0 | 107.4 | F648 S763 E764 F765 L796 F904 L905 I908 | F648-L669 HydrophobicContact CB-CB 4.42Å; F648-L669 HydrophobicContact CD2-CD2 4.36Å; F648-L669 PolarHBondContact N-O 3.18Å; F648-L669 PolarHBondContact O-N 3.07Å; L669-S763 WeakPolarHBondContact CD1-OG 3.31Å; L669-E764 WeakPolarHBondContact CA-O 3.35Å; L669-F765 HydrophobicContact CB-CD1 4.32Å; L669-F765 HydrophobicContact CD1-CD1 3.79Å; L669-F765 HydrophobicContact CD1-CE1 3.82Å; L669-F765 HydrophobicContact CD1-CG 4.19Å; L669-F765 HydrophobicContact CD1-CZ 4.25Å; L669-L796 HydrophobicContact CD1-CB 4.17Å; L669-L796 HydrophobicContact CD1-CD2 3.71Å; L669-L796 HydrophobicContact CD2-CD2 4.12Å; L669-F904 HydrophobicContact CB-CD1 4.48Å; L669-F904 HydrophobicContact CB-CE1 3.62Å; L669-F904 HydrophobicContact CB-CZ 4.41Å; L669-L905 HydrophobicContact CD2-CD2 4.09Å; L669-I908 HydrophobicContact CB-CD1 3.9Å; L669-I908 HydrophobicContact CD2-CD1 3.76Å; L669-I908 HydrophobicContact CG-CD1 4.49Å |
| 670 | I | 92.9 | Very high | 79.6 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.6 | 175.1 | -58.5 | -169.7 | 0 | 0 | 0 | 108.3 | R645 L646 I647 Q672 S763 E764 L766 | R645-I670 HydrophobicContact CB-CG2 4.28Å; L646-I670 WeakPolarHBondContact O-CA 3.49Å; I647-I670 HydrophobicContact CG1-CD1 4.4Å; I647-I670 HydrophobicContact CG1-CG1 4.25Å; I647-I670 HydrophobicContact CG2-CG1 4.45Å; I670-Q672 HydrophobicContact CG2-CB 4.13Å; I670-S763 CarbonylContact O-C 3.48Å; I670-S763 WeakPolarHBondContact O-CA 3.4Å; I670-S763 WeakPolarHBondContact O-CB 3.31Å; I670-S763 PolarHBondContact O-OG 3.43Å; I670-E764 HydrophobicContact CB-CG 4.19Å; I670-E764 PolarHBondContact N-O 3.01Å; I670-E764 PolarHBondContact O-N 2.87Å; I670-L766 HydrophobicContact CD1-CD1 3.47Å; I670-L766 VanDerWaalsContact CD1-CD1 3.47Å; I670-L766 HydrophobicContact CD1-CG 4.02Å; I670-L766 HydrophobicContact CG1-CD1 4.2Å; I670-L766 HydrophobicContact CG1-CG 4.3Å |
| 671 | L | 92.9 | Very high | 81.3 | Confident | 65 Ų | 65 | 25.5 Ų | 25.5 | 34% | 0.34 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.1 | 160.9 | 176.9 | 72 | 0 | 0 | 0 | 106.9 | L646 V761 | L646-L671 HydrophobicContact CB-CB 4.32Å; L646-L671 HydrophobicContact CD2-CD2 4.32Å; L646-L671 PolarHBondContact N-O 3.16Å; L646-L671 PolarHBondContact O-N 2.96Å; L671-V761 HydrophobicContact CD1-CG1 3.76Å |
| 672 | Q | 95.2 | Very high | 82.6 | Confident | 19 Ų | 19 | 22.3 Ų | 22.3 | 9% | 0.089 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 151.2 | -177.1 | -174.4 | 166.9 | 14.6 | 0 | 0 | 110.8 | P644 R645 I670 V761 W762 | P644-Q672 WeakPolarHBondContact O-CA 3.5Å; R645-Q672 HydrophobicContact CG-CB 4.43Å; R645-Q672 HydrophobicContact CG-CG 3.96Å; I670-Q672 HydrophobicContact CG2-CB 4.13Å; Q672-V761 WeakPolarHBondContact O-CA 3.5Å; Q672-W762 HydrophobicContact CB-CD2 4.42Å; Q672-W762 HydrophobicContact CB-CH2 4.36Å; Q672-W762 HydrophobicContact CB-CZ2 3.78Å; Q672-W762 VanDerWaalsContact CD-CZ2 3.45Å; Q672-W762 HydrophobicContact CG-CH2 3.78Å; Q672-W762 HydrophobicContact CG-CZ2 3.45Å; Q672-W762 VanDerWaalsContact CG-CZ2 3.45Å; Q672-W762 PolarHBondContact N-O 2.8Å; Q672-W762 PolarHBondContact O-N 2.83Å |
| 673 | S | 94.2 | Very high | 83 | Confident | 4 Ų | 4 | 21.9 Ų | 21.9 | 3% | 0.028 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 156.7 | 171.3 | -171 | 0 | 0 | 0 | 0 | 110.7 | M643 P644 Q675 N760 | M643-S673 VanDerWaalsContact CA-O 3.28Å; M643-S673 WeakPolarHBondContact CA-O 3.24Å; P644-S673 PolarHBondContact O-N 2.72Å; S673-Q675 PolarHBondContact OG-O 2.95Å; S673-N760 CarbonylContact C-O 3.59Å; S673-N760 WeakPolarHBondContact CA-O 3.49Å; S673-N760 WeakPolarHBondContact CB-O 3.23Å; S673-N760 PolarHBondContact OG-O 3.17Å |
| 674 | D | 93.1 | Very high | 82.8 | Confident | 46 Ų | 46 | 21.8 Ų | 21.8 | 25% | 0.246 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -72.1 | -46 | 171.2 | 63.5 | -19.7 | 0 | 0 | 0 | 112.1 | M643 N760 W762 | M643-D674 HydrophobicContact CE-CB 4.17Å; M643-D674 PolarHBondContact N-O 2.83Å; D674-N760 HydrophobicContact CB-CB 4.23Å; D674-N760 PolarHBondContact N-O 3.45Å; D674-N760 PolarHBondContact OD1-N 2.84Å; D674-N760 VanDerWaalsContact OD1-O 3.11Å; D674-N760 PolarHBondContact OD2-ND2 2.78Å; D674-W762 HydrophobicContact CB-CZ3 4.36Å |
| 675 | Q | 92.9 | Very high | 82.7 | Confident | 41 Ų | 41 | 20.1 Ų | 20.1 | 19% | 0.192 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 137.7 | 175.4 | -176.2 | 174.9 | 28.4 | 0 | 0 | 110 | E640 A641 L642 S673 I677 C758 P759 | E640-Q675 PolarHBondContact OE2-NE2 2.98Å; E640-Q675 VanDerWaalsContact OE2-NE2 3.16Å; A641-Q675 CarbonylContact O-C 3.43Å; A641-Q675 VanDerWaalsContact O-CA 3.23Å; A641-Q675 WeakPolarHBondContact O-CA 3.39Å; L642-Q675 HydrophobicContact CD2-CB 4.43Å; L642-Q675 HydrophobicContact CD2-CG 4.01Å; S673-Q675 PolarHBondContact OG-O 2.95Å; Q675-I677 HydrophobicContact CG-CG1 3.85Å; Q675-C758 WeakPolarHBondContact O-CA 3.41Å; Q675-P759 WeakPolarHBondContact O-CD 3.38Å |
| 676 | I | 92.7 | Very high | 82.1 | Confident | 47 Ų | 47 | 20.2 Ų | 20.2 | 24% | 0.241 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 117.7 | 165.8 | -57.2 | -179.8 | 0 | 0 | 0 | 108.2 | E640 A641 P644 V678 I756 | E640-I676 WeakPolarHBondContact CA-O 3.28Å; A641-I676 HydrophobicContact CB-CB 4.34Å; A641-I676 PolarHBondContact N-O 2.73Å; A641-I676 PolarHBondContact O-N 2.83Å; P644-I676 HydrophobicContact CB-CD1 4.33Å; P644-I676 HydrophobicContact CG-CB 4.41Å; P644-I676 HydrophobicContact CG-CD1 3.48Å; P644-I676 VanDerWaalsContact CG-CD1 3.48Å; P644-I676 HydrophobicContact CG-CG1 3.62Å; I676-V678 HydrophobicContact CG2-CG2 4.05Å; I676-I756 HydrophobicContact CG2-CG2 3.82Å |
| 677 | I | 91.4 | Very high | 81.2 | Confident | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 108.6 | 175.2 | -53 | -179.7 | 0 | 0 | 0 | 108.1 | R638 L639 Q675 I756 H757 I841 | R638-I677 HydrophobicContact CG-CG2 4.34Å; L639-I677 CarbonylContact O-C 3.59Å; L639-I677 WeakPolarHBondContact O-CA 3.49Å; Q675-I677 HydrophobicContact CG-CG1 3.85Å; I677-I756 CarbonylContact O-C 3.59Å; I677-I756 WeakPolarHBondContact O-CA 3.48Å; I677-H757 PolarHBondContact N-O 2.83Å; I677-H757 PolarHBondContact O-N 2.81Å; I677-I841 HydrophobicContact CD1-CG2 4.24Å |
| 678 | V | 91.4 | Very high | 80.4 | Confident | 30 Ų | 30 | 25.4 Ų | 25.4 | 18% | 0.182 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.1 | 170.2 | -174.6 | 0 | 0 | 0 | 0 | 108.2 | R638 L639 I676 W754 C755 I756 | R638-V678 CarbonylContact C-O 3.55Å; R638-V678 WeakPolarHBondContact CA-O 3.48Å; L639-V678 HydrophobicContact CB-CB 4.3Å; L639-V678 HydrophobicContact CD2-CB 4.46Å; L639-V678 HydrophobicContact CD2-CG2 4.22Å; L639-V678 PolarHBondContact N-O 3.43Å; L639-V678 PolarHBondContact O-N 2.72Å; I676-V678 HydrophobicContact CG2-CG2 4.05Å; V678-W754 HydrophobicContact CG1-CE3 3.9Å; V678-W754 HydrophobicContact CG1-CZ3 3.81Å; V678-C755 CarbonylContact C-O 3.58Å; V678-C755 WeakPolarHBondContact CA-O 3.45Å; V678-I756 HydrophobicContact CG1-CG1 4.22Å; V678-I756 HydrophobicContact CG2-CG1 4.2Å; V678-I756 HydrophobicContact CG2-CG2 4.27Å |
| 679 | Q | 86.8 | Confident | 79.3 | Confident | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.019 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.6 | 178.2 | 62.1 | -173.7 | -13.5 | 0 | 0 | 112 | V637 W754 C755 P842 | V637-Q679 CarbonylContact O-C 3.58Å; V637-Q679 VanDerWaalsContact O-CA 3.27Å; V637-Q679 WeakPolarHBondContact O-CA 3.4Å; Q679-W754 WeakPolarHBondContact O-CA 3.31Å; Q679-C755 HydrophobicContact CG-CB 3.64Å; Q679-C755 PolarHBondContact N-O 3.27Å; Q679-C755 PolarHBondContact O-N 2.78Å; Q679-P842 PolarHBondContact NE2-O 3.37Å |
| 680 | S | 83.5 | Confident | 78 | Confident | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 133.2 | 171.1 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | V637 F753 W754 | V637-S680 PolarHBondContact N-O 2.59Å; V637-S680 PolarHBondContact O-N 2.99Å; S680-F753 WeakPolarHBondContact CA-O 3.07Å; S680-W754 VanDerWaalsContact OG-CE2 3.31Å; S680-W754 PolarHBondContact OG-NE1 3.01Å |
| 681 | L | 73.7 | Confident | 76.7 | Confident | 11 Ų | 11 | 29.8 Ų | 29.8 | 6% | 0.058 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 116.6 | 179.6 | -63 | 177.6 | 0 | 0 | 0 | 110.4 | I432 I685 V689 F753 M843 | I432-L681 HydrophobicContact CD1-CD2 4.25Å; I432-L681 HydrophobicContact CG1-CD2 4.39Å; L681-I685 HydrophobicContact CB-CD1 4.42Å; L681-V689 HydrophobicContact CD1-CG1 3.92Å; L681-F753 HydrophobicContact CB-CD1 4.49Å; L681-F753 HydrophobicContact CD1-CD1 4.12Å; L681-F753 HydrophobicContact CD1-CE1 4.38Å; L681-F753 PolarHBondContact N-O 3.23Å; L681-M843 HydrophobicContact CD1-CE 3.64Å; L681-M843 HydrophobicContact CD1-SD 4.27Å; L681-M843 HydrophobicContact CD2-CE 4.14Å |
| 682 | A | 68.3 | Low | 75.3 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.008 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -65 | 156.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N633 H636 P684 | N633-A682 WeakPolarHBondContact O-CB 3.37Å; H636-A682 PolarHBondContact CE1-O 3.32Å; H636-A682 VanDerWaalsContact CE1-O 3.3Å; H636-A682 PolarHBondContact ND1-N 3.17Å; A682-P684 VanDerWaalsContact O-O 3.1Å |
| 683 | A | 57.9 | Low | 74 | Confident | 47 Ų | 47 | 26.8 Ų | 26.8 | 39% | 0.388 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -94.7 | 149.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111 | L742 | A683-L742 HydrophobicContact CB-CD1 3.62Å; A683-L742 HydrophobicContact CB-CD2 3.68Å; A683-L742 HydrophobicContact CB-CG 4.3Å |
| 684 | P | 53.5 | Low | 72.8 | Confident | 63 Ų | 63 | 32 Ų | 32 | 41% | 0.409 | 18% | 0.182 | S | C | . | . | S | Bend | cis | -69.7 | 171 | -5.9 | 25.6 | -27 | 0 | 0 | 0 | 111.9 | H436 A682 | H436-P684 PolarHBondContact CE1-O 2.92Å; H436-P684 PolarHBondContact NE2-O 2.58Å; A682-P684 VanDerWaalsContact O-O 3.1Å |
| 685 | I | 61.1 | Low | 71.5 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 7% | 0.067 | 19% | 0.193 | C | C | . | . | trans | -111.6 | 140.4 | 178.5 | -72.2 | 175.8 | 0 | 0 | 0 | 108.5 | L681 V689 A739 L742 | L681-I685 HydrophobicContact CB-CD1 4.42Å; I685-V689 HydrophobicContact CG2-CB 3.52Å; I685-V689 HydrophobicContact CG2-CG1 3.22Å; I685-A739 HydrophobicContact CD1-CB 3.91Å; I685-L742 HydrophobicContact CD1-CD1 4.05Å; I685-L742 HydrophobicContact CG1-CD1 4.17Å | ||
| 686 | S | 59.5 | Low | 70.1 | Confident | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | trans | -71.1 | 155.1 | -178.5 | 83.2 | 0 | 0 | 0 | 0 | 112.5 | I432 H688 V689 A690 | I432-S686 WeakPolarHBondContact O-CB 3.39Å; I432-S686 PolarHBondContact O-OG 2.66Å; S686-H688 PolarHBondContact O-N 3.34Å; S686-V689 WeakPolarHBondContact O-CB 3.41Å; S686-V689 PolarHBondContact O-N 3.14Å; S686-V689 WeakPolarHBondContact OG-CG2 3.35Å; S686-V689 PolarHBondContact OG-N 2.84Å; S686-A690 PolarHBondContact O-N 2.77Å | ||
| 687 | S | 62.7 | Low | 68.8 | Low | 62 Ų | 62 | 32.3 Ų | 32.3 | 43% | 0.434 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59 | -33.6 | -179.3 | 67.4 | 0 | 0 | 0 | 0 | 113.1 | A690 D691 | S687-A690 WeakPolarHBondContact O-CB 3.08Å; S687-A690 PolarHBondContact O-N 2.84Å; S687-D691 WeakPolarHBondContact O-CB 3.22Å; S687-D691 PolarHBondContact O-N 2.87Å |
| 688 | H | 64.5 | Low | 67.5 | Low | 57 Ų | 57 | 34.9 Ų | 34.9 | 26% | 0.264 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 176.3 | 176.4 | 65 | 0 | 0 | 0 | 111.9 | G431 N433 S686 D691 C692 | G431-H688 PolarHBondContact O-CD2 3.1Å; N433-H688 HydrophobicContact CB-CB 4.26Å; S686-H688 PolarHBondContact O-N 3.34Å; H688-D691 PolarHBondContact O-N 3.4Å; H688-C692 PolarHBondContact O-N 2.73Å; H688-C692 PolarHBondContact O-SG 2.85Å |
| 689 | V | 66.1 | Low | 66 | Low | 3 Ų | 3 | 36.8 Ų | 36.8 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.9 | -43.4 | 175.7 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | L681 I685 S686 D691 C692 L693 M843 | L681-V689 HydrophobicContact CD1-CG1 3.92Å; I685-V689 HydrophobicContact CG2-CB 3.52Å; I685-V689 HydrophobicContact CG2-CG1 3.22Å; S686-V689 WeakPolarHBondContact O-CB 3.41Å; S686-V689 PolarHBondContact O-N 3.14Å; S686-V689 WeakPolarHBondContact OG-CG2 3.35Å; S686-V689 PolarHBondContact OG-N 2.84Å; V689-D691 VanDerWaalsContact C-N 3.31Å; V689-D691 PolarHBondContact O-N 2.83Å; V689-C692 PolarHBondContact O-N 2.8Å; V689-C692 VanDerWaalsContact O-N 3.12Å; V689-L693 HydrophobicContact CG1-CD1 4.02Å; V689-L693 HydrophobicContact CG1-CG 4.27Å; V689-L693 WeakPolarHBondContact O-CG 3.48Å; V689-L693 PolarHBondContact O-N 3.34Å; V689-M843 HydrophobicContact CB-CE 3.95Å; V689-M843 HydrophobicContact CB-SD 4.23Å; V689-M843 HydrophobicContact CG1-CE 3.46Å; V689-M843 VanDerWaalsContact CG1-CE 3.46Å; V689-M843 HydrophobicContact CG1-SD 3.54Å; V689-M843 VanDerWaalsContact CG1-SD 3.54Å; V689-M843 HydrophobicContact CG2-CE 3.31Å; V689-M843 HydrophobicContact CG2-SD 4.11Å |
| 690 | A | 64.2 | Low | 64.6 | Low | 14 Ų | 14 | 37.9 Ų | 37.9 | 12% | 0.116 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -54.8 | -45.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S686 S687 L693 K694 T740 | S686-A690 PolarHBondContact O-N 2.77Å; S687-A690 WeakPolarHBondContact O-CB 3.08Å; S687-A690 PolarHBondContact O-N 2.84Å; A690-L693 PolarHBondContact O-N 2.87Å; A690-K694 VanDerWaalsContact O-CB 3.25Å; A690-K694 WeakPolarHBondContact O-CB 3.12Å; A690-K694 PolarHBondContact O-N 2.81Å; A690-T740 HydrophobicContact CB-CG2 3.62Å |
| 691 | D | 64.5 | Low | 63.5 | Low | 88 Ų | 88 | 41 Ų | 41 | 47% | 0.471 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.1 | -38 | 175.2 | -71.2 | -29.7 | 0 | 0 | 0 | 112.3 | S687 H688 V689 K695 | S687-D691 WeakPolarHBondContact O-CB 3.22Å; S687-D691 PolarHBondContact O-N 2.87Å; H688-D691 PolarHBondContact O-N 3.4Å; V689-D691 VanDerWaalsContact C-N 3.31Å; V689-D691 PolarHBondContact O-N 2.83Å; D691-K695 WeakPolarHBondContact O-CB 3.4Å; D691-K695 VanDerWaalsContact O-CG 3.23Å; D691-K695 WeakPolarHBondContact O-CG 3.16Å; D691-K695 PolarHBondContact O-N 2.86Å |
| 692 | C | 65.1 | Low | 62.6 | Low | 21 Ų | 21 | 46 Ų | 46 | 14% | 0.142 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.5 | -44.5 | 175 | -79.7 | 0 | 0 | 0 | 0 | 112.5 | H688 V689 K694 K695 L696 | H688-C692 PolarHBondContact O-N 2.73Å; H688-C692 PolarHBondContact O-SG 2.85Å; V689-C692 PolarHBondContact O-N 2.8Å; V689-C692 VanDerWaalsContact O-N 3.12Å; C692-K694 VanDerWaalsContact C-N 3.33Å; C692-K694 PolarHBondContact O-N 2.82Å; C692-K695 PolarHBondContact O-N 2.91Å; C692-L696 WeakPolarHBondContact O-CG 3.42Å; C692-L696 PolarHBondContact O-N 2.76Å |
| 693 | L | 67.8 | Low | 61.7 | Low | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -39.3 | 175 | -68.7 | 174.7 | 0 | 0 | 0 | 111.5 | V689 A690 L696 L697 V736 A739 F753 | V689-L693 HydrophobicContact CG1-CD1 4.02Å; V689-L693 HydrophobicContact CG1-CG 4.27Å; V689-L693 WeakPolarHBondContact O-CG 3.48Å; V689-L693 PolarHBondContact O-N 3.34Å; A690-L693 PolarHBondContact O-N 2.87Å; L693-L696 PolarHBondContact O-N 2.86Å; L693-L697 PolarHBondContact O-N 3.28Å; L693-V736 HydrophobicContact CB-CG1 4.13Å; L693-V736 HydrophobicContact CB-CG2 4.38Å; L693-A739 HydrophobicContact CD1-CB 4Å; L693-F753 HydrophobicContact CD1-CE1 4.25Å; L693-F753 HydrophobicContact CD2-CE1 3.64Å; L693-F753 HydrophobicContact CD2-CZ 3.73Å |
| 694 | K | 68 | Low | 61.2 | Low | 114 Ų | 114 | 47.3 Ų | 47.3 | 50% | 0.496 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.9 | -44.3 | 174 | -170.5 | 178.8 | 177.1 | -176.5 | 0 | 111.7 | A690 C692 L696 L697 D698 | A690-K694 VanDerWaalsContact O-CB 3.25Å; A690-K694 WeakPolarHBondContact O-CB 3.12Å; A690-K694 PolarHBondContact O-N 2.81Å; C692-K694 VanDerWaalsContact C-N 3.33Å; C692-K694 PolarHBondContact O-N 2.82Å; K694-L696 VanDerWaalsContact C-N 3.29Å; K694-L696 PolarHBondContact O-N 2.63Å; K694-L697 CarbonylContact O-C 3.59Å; K694-L697 WeakPolarHBondContact O-CB 3.4Å; K694-L697 PolarHBondContact O-N 3.3Å; K694-D698 WeakPolarHBondContact O-CB 3.35Å; K694-D698 PolarHBondContact O-N 2.84Å |
| 695 | K | 65.1 | Low | 60.8 | Low | 112 Ų | 112 | 47.4 Ų | 47.4 | 49% | 0.487 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.7 | -36.1 | 172.7 | -77.1 | 171.3 | -177.7 | 178.5 | 0 | 112.9 | D691 C692 D698 N699 | D691-K695 WeakPolarHBondContact O-CB 3.4Å; D691-K695 VanDerWaalsContact O-CG 3.23Å; D691-K695 WeakPolarHBondContact O-CG 3.16Å; D691-K695 PolarHBondContact O-N 2.86Å; C692-K695 PolarHBondContact O-N 2.91Å; K695-D698 PolarHBondContact O-N 3.34Å; K695-N699 VanDerWaalsContact O-CB 3.23Å; K695-N699 WeakPolarHBondContact O-CB 3.49Å; K695-N699 PolarHBondContact O-N 3.15Å; K695-N699 PolarHBondContact O-ND2 3.45Å |
| 696 | L | 63.6 | Low | 59.9 | Low | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.084 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.8 | -44.3 | 173.9 | -74.5 | 167.4 | 0 | 0 | 0 | 111.2 | C692 L693 K694 N699 L700 W805 L840 P842 | C692-L696 WeakPolarHBondContact O-CG 3.42Å; C692-L696 PolarHBondContact O-N 2.76Å; L693-L696 PolarHBondContact O-N 2.86Å; K694-L696 VanDerWaalsContact C-N 3.29Å; K694-L696 PolarHBondContact O-N 2.63Å; L696-N699 PolarHBondContact O-N 2.97Å; L696-L700 WeakPolarHBondContact O-CB 3.5Å; L696-L700 VanDerWaalsContact O-CG 3.31Å; L696-L700 WeakPolarHBondContact O-CG 3.46Å; L696-L700 PolarHBondContact O-N 3.39Å; L696-W805 HydrophobicContact CD1-CH2 4.46Å; L696-W805 HydrophobicContact CD1-CZ2 4.37Å; L696-L840 HydrophobicContact CD2-CB 4.29Å; L696-L840 HydrophobicContact CD2-CD1 3.92Å; L696-P842 HydrophobicContact CD1-CB 4.3Å |
| 697 | L | 66.7 | Low | 58.9 | Low | 12 Ų | 12 | 58.8 Ų | 58.8 | 6% | 0.063 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 171.4 | 176.8 | 67.9 | 0 | 0 | 0 | 111.5 | L693 K694 N699 L700 Q701 L729 F732 Q733 V736 | L693-L697 PolarHBondContact O-N 3.28Å; K694-L697 CarbonylContact O-C 3.59Å; K694-L697 WeakPolarHBondContact O-CB 3.4Å; K694-L697 PolarHBondContact O-N 3.3Å; L697-N699 PolarHBondContact O-N 2.8Å; L697-L700 PolarHBondContact O-N 3.14Å; L697-Q701 HydrophobicContact CD1-CG 4.45Å; L697-Q701 WeakPolarHBondContact O-CB 3.36Å; L697-Q701 VanDerWaalsContact O-CG 3.28Å; L697-Q701 WeakPolarHBondContact O-CG 3.38Å; L697-Q701 PolarHBondContact O-N 3.4Å; L697-L729 HydrophobicContact CD1-CD1 3.85Å; L697-F732 HydrophobicContact CB-CD1 4.44Å; L697-F732 HydrophobicContact CB-CE1 4.08Å; L697-F732 HydrophobicContact CD1-CD1 3.62Å; L697-F732 HydrophobicContact CD1-CE1 4.13Å; L697-Q733 HydrophobicContact CD1-CB 4.13Å; L697-Q733 HydrophobicContact CD2-CB 4.41Å; L697-Q733 HydrophobicContact CD2-CG 4.23Å; L697-V736 HydrophobicContact CB-CG1 4.35Å; L697-V736 HydrophobicContact CB-CG2 4.29Å; L697-V736 HydrophobicContact CD2-CB 4.16Å; L697-V736 HydrophobicContact CD2-CG1 4.05Å |
| 698 | D | 63.8 | Low | 57.4 | Low | 58 Ų | 58 | 61 Ų | 61 | 31% | 0.31 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 179.4 | -64.9 | -18 | 0 | 0 | 0 | 111 | K694 K695 Q701 L702 | K694-D698 WeakPolarHBondContact O-CB 3.35Å; K694-D698 PolarHBondContact O-N 2.84Å; K695-D698 PolarHBondContact O-N 3.34Å; D698-Q701 CarbonylContact O-C 3.53Å; D698-Q701 PolarHBondContact O-N 3.24Å; D698-L702 WeakPolarHBondContact O-CB 3.05Å; D698-L702 WeakPolarHBondContact O-CG 3.41Å; D698-L702 PolarHBondContact O-N 3.07Å |
| 699 | N | 60 | Low | 56.1 | Low | 69 Ų | 69 | 64 Ų | 64 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 176.5 | -77.3 | -14.5 | 0 | 0 | 0 | 112.5 | K695 L696 L697 S703 | K695-N699 VanDerWaalsContact O-CB 3.23Å; K695-N699 WeakPolarHBondContact O-CB 3.49Å; K695-N699 PolarHBondContact O-N 3.15Å; K695-N699 PolarHBondContact O-ND2 3.45Å; L696-N699 PolarHBondContact O-N 2.97Å; L697-N699 PolarHBondContact O-N 2.8Å; N699-S703 WeakPolarHBondContact O-CB 3.49Å; N699-S703 PolarHBondContact O-N 2.97Å; N699-S703 PolarHBondContact O-OG 3.5Å |
| 700 | L | 56.4 | Low | 54.8 | Low | 28 Ų | 28 | 67.8 Ų | 67.8 | 15% | 0.147 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.6 | -46.4 | 171.5 | -70.1 | 170.1 | 0 | 0 | 0 | 109.6 | L696 L697 L702 S703 Y704 F732 | L696-L700 WeakPolarHBondContact O-CB 3.5Å; L696-L700 VanDerWaalsContact O-CG 3.31Å; L696-L700 WeakPolarHBondContact O-CG 3.46Å; L696-L700 PolarHBondContact O-N 3.39Å; L697-L700 PolarHBondContact O-N 3.14Å; L700-L702 PolarHBondContact O-N 3.17Å; L700-S703 PolarHBondContact O-N 2.83Å; L700-Y704 HydrophobicContact CB-CE2 4.08Å; L700-Y704 WeakPolarHBondContact O-CD2 3.49Å; L700-Y704 WeakPolarHBondContact O-CE2 3.38Å; L700-Y704 PolarHBondContact O-N 2.87Å; L700-F732 HydrophobicContact CD1-CD1 3.96Å; L700-F732 HydrophobicContact CD1-CE1 3.67Å; L700-F732 HydrophobicContact CD1-CZ 4.26Å |
| 701 | Q | 61.1 | Low | 53.3 | Low | 68 Ų | 68 | 72.3 Ų | 72.3 | 32% | 0.318 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 175.4 | -75.2 | -175.1 | 1.5 | 0 | 0 | 113.9 | L697 D698 Y704 G705 L729 | L697-Q701 HydrophobicContact CD1-CG 4.45Å; L697-Q701 WeakPolarHBondContact O-CB 3.36Å; L697-Q701 VanDerWaalsContact O-CG 3.28Å; L697-Q701 WeakPolarHBondContact O-CG 3.38Å; L697-Q701 PolarHBondContact O-N 3.4Å; D698-Q701 CarbonylContact O-C 3.53Å; D698-Q701 PolarHBondContact O-N 3.24Å; Q701-Y704 PolarHBondContact O-N 2.86Å; Q701-G705 PolarHBondContact O-N 2.93Å; Q701-L729 HydrophobicContact CG-CD1 4.02Å; Q701-L729 HydrophobicContact CG-CD2 3.99Å |
| 702 | L | 54.4 | Low | 51.7 | Low | 114 Ų | 114 | 74 Ų | 74 | 60% | 0.597 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -68.7 | -36.9 | 176.4 | -73.9 | 167.6 | 0 | 0 | 0 | 111.7 | D698 L700 Y704 G705 Q706 | D698-L702 WeakPolarHBondContact O-CB 3.05Å; D698-L702 WeakPolarHBondContact O-CG 3.41Å; D698-L702 PolarHBondContact O-N 3.07Å; L700-L702 PolarHBondContact O-N 3.17Å; L702-Y704 VanDerWaalsContact C-N 3.31Å; L702-Y704 PolarHBondContact O-N 3.2Å; L702-G705 PolarHBondContact O-N 3.23Å; L702-Q706 PolarHBondContact O-N 2.75Å |
| 703 | S | 48.7 | Very low | 50.2 | Low | 25 Ų | 25 | 75.4 Ų | 75.4 | 18% | 0.175 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.9 | -36.3 | 172.3 | -56.8 | 0 | 0 | 0 | 0 | 111.4 | N699 L700 Y707 | N699-S703 WeakPolarHBondContact O-CB 3.49Å; N699-S703 PolarHBondContact O-N 2.97Å; N699-S703 PolarHBondContact O-OG 3.5Å; L700-S703 PolarHBondContact O-N 2.83Å; S703-Y707 WeakPolarHBondContact O-CD2 3.15Å; S703-Y707 WeakPolarHBondContact O-CE2 3.25Å |
| 704 | Y | 47.6 | Very low | 48.7 | Very low | 51 Ų | 51 | 82.1 Ų | 82.1 | 20% | 0.2 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -69.4 | -40.5 | 170.4 | -60.9 | -54.3 | 0 | 0 | 0 | 112.8 | L700 Q701 L702 Q706 Y707 H724 P727 L729 | L700-Y704 HydrophobicContact CB-CE2 4.08Å; L700-Y704 WeakPolarHBondContact O-CD2 3.49Å; L700-Y704 WeakPolarHBondContact O-CE2 3.38Å; L700-Y704 PolarHBondContact O-N 2.87Å; Q701-Y704 PolarHBondContact O-N 2.86Å; L702-Y704 VanDerWaalsContact C-N 3.31Å; L702-Y704 PolarHBondContact O-N 3.2Å; Y704-Q706 VanDerWaalsContact C-N 3.26Å; Y704-Q706 PolarHBondContact O-N 2.95Å; Y704-Y707 PolarHBondContact O-N 2.87Å; Y704-H724 AromaticContact CE1-CE1 3.77Å; Y704-P727 VanDerWaalsContact OH-CD 3.22Å; Y704-P727 WeakPolarHBondContact OH-CD 3.37Å; Y704-P727 WeakPolarHBondContact OH-CG 3.44Å; Y704-L729 HydrophobicContact CD2-CD2 4.22Å; Y704-L729 HydrophobicContact CE2-CD1 4.17Å |
| 705 | G | 46.4 | Very low | 46.9 | Very low | 65 Ų | 65 | 81 Ų | 81 | 67% | 0.67 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -69.1 | -15.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q701 L702 | Q701-G705 PolarHBondContact O-N 2.93Å; L702-G705 PolarHBondContact O-N 3.23Å |
| 706 | Q | 41.3 | Very low | 45.2 | Very low | 131 Ų | 131 | 79.5 Ų | 79.5 | 61% | 0.612 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -2.1 | 174.9 | -76.3 | -171.9 | -1.9 | 0 | 0 | 114.6 | L702 Y704 D708 | L702-Q706 PolarHBondContact O-N 2.75Å; Y704-Q706 VanDerWaalsContact C-N 3.26Å; Y704-Q706 PolarHBondContact O-N 2.95Å; Q706-D708 PolarHBondContact O-N 3.04Å |
| 707 | Y | 38.2 | Very low | 43.7 | Very low | 127 Ų | 127 | 87.4 Ų | 87.4 | 50% | 0.498 | 49% | 0.489 | S | S | . | . | trans | -76.2 | 66.7 | 169.6 | -72.3 | -80.6 | 0 | 0 | 0 | 110.7 | S703 Y704 T709 L958 | S703-Y707 WeakPolarHBondContact O-CD2 3.15Å; S703-Y707 WeakPolarHBondContact O-CE2 3.25Å; Y704-Y707 PolarHBondContact O-N 2.87Å; Y707-T709 PolarHBondContact O-N 3.16Å; Y707-L958 HydrophobicContact CE2-CD2 4.36Å | ||
| 708 | D | 31.9 | Very low | 42.1 | Very low | 107 Ų | 107 | 92 Ų | 92 | 57% | 0.572 | 51% | 0.513 | S | S | * | . | trans | -66.1 | 119.1 | 174.8 | -145.3 | -7 | 0 | 0 | 0 | 108.4 | Q706 S710 C711 | Q706-D708 PolarHBondContact O-N 3.04Å; D708-S710 PolarHBondContact O-N 2.96Å; D708-C711 PolarHBondContact O-N 3.42Å | ||
| 709 | T | 36.7 | Very low | 40.6 | Very low | 122 Ų | 122 | 92.6 Ų | 92.6 | 75% | 0.748 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -66.9 | -9.1 | -173.8 | 15.4 | 0 | 0 | 0 | 0 | 112.8 | Y707 C711 M712 | Y707-T709 PolarHBondContact O-N 3.16Å; T709-C711 PolarHBondContact O-N 3.31Å; T709-M712 WeakPolarHBondContact O-CB 3.48Å; T709-M712 PolarHBondContact O-N 2.79Å |
| 710 | S | 38.6 | Very low | 39.3 | Very low | 82 Ų | 82 | 97.9 Ų | 97.9 | 57% | 0.573 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -61.9 | -26.8 | 169.9 | 56.9 | 0 | 0 | 0 | 0 | 113.4 | D708 M712 G713 | D708-S710 PolarHBondContact O-N 2.96Å; S710-M712 PolarHBondContact O-N 3.5Å; S710-G713 PolarHBondContact O-N 3.17Å; S710-G713 VanDerWaalsContact O-N 3.13Å |
| 711 | C | 34.1 | Very low | 38 | Very low | 108 Ų | 108 | 99.5 Ų | 99.5 | 73% | 0.73 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -68.1 | -12.7 | 175.9 | -59.6 | 0 | 0 | 0 | 0 | 113.9 | D708 T709 G713 | D708-C711 PolarHBondContact O-N 3.42Å; T709-C711 PolarHBondContact O-N 3.31Å; C711-G713 PolarHBondContact O-N 3.09Å |
| 712 | M | 29.7 | Very low | 36.5 | Very low | 125 Ų | 125 | 102.5 Ų | 102.5 | 62% | 0.616 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -76.8 | 0.9 | 172.3 | -65.2 | -67.6 | -72 | 0 | 0 | 113 | T709 S710 N714 | T709-M712 WeakPolarHBondContact O-CB 3.48Å; T709-M712 PolarHBondContact O-N 2.79Å; S710-M712 PolarHBondContact O-N 3.5Å; M712-N714 PolarHBondContact O-N 3.1Å |
| 713 | G | 35.1 | Very low | 35.5 | Very low | 49 Ų | 49 | 102.4 Ų | 102.4 | 51% | 0.505 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -68.7 | 112.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S710 C711 | S710-G713 PolarHBondContact O-N 3.17Å; S710-G713 VanDerWaalsContact O-N 3.13Å; C711-G713 PolarHBondContact O-N 3.09Å |
| 714 | N | 35.8 | Very low | 34.7 | Very low | 142 Ų | 142 | 103.5 Ų | 103.5 | 76% | 0.759 | 59% | 0.592 | S | S | * | * | S | Bend | trans | 87.5 | -3.3 | 152 | -54.6 | -3.1 | 0 | 0 | 0 | 120.5 | M712 P716 | M712-N714 PolarHBondContact O-N 3.1Å; N714-P716 WeakPolarHBondContact O-CD 3.17Å |
| 715 | N | 30.1 | Very low | 34.2 | Very low | 90 Ų | 90 | 110.3 Ų | 110.3 | 48% | 0.481 | 62% | 0.623 | S | S | . | * | trans | -112.3 | 91.4 | 173.3 | -143.9 | -28.9 | 0 | 0 | 0 | 113.4 | F717 I718 | N715-F717 PolarHBondContact O-N 3.47Å; N715-F717 VanDerWaalsContact O-N 3.14Å; N715-I718 PolarHBondContact O-N 3.33Å | ||
| 716 | P | 29.5 | Very low | 34 | Very low | 80 Ų | 80 | 110.1 Ų | 110.1 | 52% | 0.519 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.9 | -21.3 | -171.5 | 25.5 | -34.2 | 0 | 0 | 0 | 113.8 | N714 I718 S719 | N714-P716 WeakPolarHBondContact O-CD 3.17Å; P716-I718 VanDerWaalsContact C-N 3.26Å; P716-I718 PolarHBondContact O-N 3.31Å; P716-S719 WeakPolarHBondContact O-CB 3.49Å; P716-S719 PolarHBondContact O-N 3.49Å; P716-S719 PolarHBondContact O-OG 2.86Å |
| 717 | F | 31.2 | Very low | 34.4 | Very low | 182 Ų | 182 | 104.9 Ų | 104.9 | 80% | 0.798 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -15.8 | 178.1 | -71.9 | -76 | 0 | 0 | 0 | 114.4 | N715 | N715-F717 PolarHBondContact O-N 3.47Å; N715-F717 VanDerWaalsContact O-N 3.14Å |
| 718 | I | 33.5 | Very low | 35 | Very low | 110 Ų | 110 | 102.3 Ų | 102.3 | 56% | 0.564 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -15.5 | 173.4 | -56.6 | 178.4 | 0 | 0 | 0 | 111.1 | N715 P716 Q720 A721 | N715-I718 PolarHBondContact O-N 3.33Å; P716-I718 VanDerWaalsContact C-N 3.26Å; P716-I718 PolarHBondContact O-N 3.31Å; I718-Q720 PolarHBondContact O-N 2.85Å; I718-A721 WeakPolarHBondContact O-CB 3.4Å; I718-A721 PolarHBondContact O-N 3.44Å |
| 719 | S | 32.2 | Very low | 35.9 | Very low | 70 Ų | 70 | 99.5 Ų | 99.5 | 49% | 0.49 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.3 | -12.1 | -171.8 | 72.3 | 0 | 0 | 0 | 0 | 116.4 | P716 | P716-S719 WeakPolarHBondContact O-CB 3.49Å; P716-S719 PolarHBondContact O-N 3.49Å; P716-S719 PolarHBondContact O-OG 2.86Å |
| 720 | Q | 32.2 | Very low | 36.8 | Very low | 180 Ų | 180 | 96.3 Ų | 96.3 | 84% | 0.841 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -6.6 | 174.8 | -71.5 | -170.8 | -11.6 | 0 | 0 | 114.2 | I718 V722 | I718-Q720 PolarHBondContact O-N 2.85Å; Q720-V722 PolarHBondContact O-N 3.02Å |
| 721 | A | 31.1 | Very low | 37.5 | Very low | 62 Ų | 62 | 96.2 Ų | 96.2 | 51% | 0.512 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -68.8 | 97.9 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | I718 P723 | I718-A721 WeakPolarHBondContact O-CB 3.4Å; I718-A721 PolarHBondContact O-N 3.44Å; A721-P723 VanDerWaalsContact O-N 3.12Å |
| 722 | V | 28 | Very low | 38.5 | Very low | 130 Ų | 130 | 91.4 Ų | 91.4 | 79% | 0.788 | 51% | 0.506 | S | S | * | . | trans | -51.9 | 120.2 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 108 | Q720 H724 | Q720-V722 PolarHBondContact O-N 3.02Å; V722-H724 PolarHBondContact O-N 3.38Å | ||
| 723 | P | 33.1 | Very low | 40 | Very low | 112 Ų | 112 | 88.7 Ų | 88.7 | 73% | 0.727 | 49% | 0.492 | S | S | * | . | trans | -59 | 130.7 | -174.2 | 21.2 | -32.1 | 0 | 0 | 0 | 110 | A721 K725 | A721-P723 VanDerWaalsContact O-N 3.12Å; P723-K725 PolarHBondContact O-N 3.13Å | ||
| 724 | H | 33.5 | Very low | 40.9 | Very low | 49 Ų | 49 | 92.3 Ų | 92.3 | 23% | 0.227 | 49% | 0.494 | C | S | . | . | trans | -32.9 | 103.7 | -177.1 | -178.8 | -68.4 | 0 | 0 | 0 | 112.9 | Y704 V722 S726 S956 T957 | Y704-H724 AromaticContact CE1-CE1 3.77Å; V722-H724 PolarHBondContact O-N 3.38Å; H724-S726 WeakPolarHBondContact ND1-CA 3.32Å; H724-S726 PolarHBondContact O-N 2.88Å; H724-S956 VanDerWaalsContact CE1-CB 3.49Å; H724-S956 WeakPolarHBondContact CE1-CB 3.26Å; H724-T957 PolarHBondContact CD2-O 2.98Å | ||
| 725 | K | 36.9 | Very low | 41.8 | Very low | 194 Ų | 194 | 86 Ų | 86 | 84% | 0.843 | 46% | 0.461 | S | S | * | . | trans | -71.6 | 96.7 | 172.7 | -168.6 | 175.4 | -175.3 | 178.7 | 0 | 107.7 | P723 | P723-K725 PolarHBondContact O-N 3.13Š| ||
| 726 | S | 41.5 | Very low | 43.3 | Very low | 61 Ų | 61 | 81.9 Ų | 81.9 | 43% | 0.427 | 44% | 0.439 | S | S | . | . | trans | -53 | 145.9 | -173.8 | 42.9 | 0 | 0 | 0 | 0 | 112.2 | H724 | H724-S726 WeakPolarHBondContact ND1-CA 3.32Å; H724-S726 PolarHBondContact O-N 2.88Å | ||
| 727 | P | 48.9 | Very low | 44.8 | Very low | 20 Ų | 20 | 81.5 Ų | 81.5 | 13% | 0.13 | 43% | 0.43 | C | S | . | . | trans | -55.1 | 148.7 | 161.9 | 29.4 | -33.4 | 0 | 0 | 0 | 106.8 | Y704 L729 I833 S956 | Y704-P727 VanDerWaalsContact OH-CD 3.22Å; Y704-P727 WeakPolarHBondContact OH-CD 3.37Å; Y704-P727 WeakPolarHBondContact OH-CG 3.44Å; P727-L729 VanDerWaalsContact C-N 3.28Å; P727-L729 PolarHBondContact O-N 2.96Å; P727-I833 HydrophobicContact CB-CG1 4.44Å; P727-I833 HydrophobicContact CB-CG2 3.77Å; P727-I833 HydrophobicContact CG-CG2 4.3Å; P727-S956 WeakPolarHBondContact CD-OG 3.42Å | ||
| 728 | D | 51.1 | Low | 45.9 | Very low | 73 Ų | 73 | 74.2 Ų | 74.2 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | trans | -60.9 | 93 | -174.7 | -174.1 | -14.9 | 0 | 0 | 0 | 109.6 | S730 K731 F732 | D728-S730 PolarHBondContact O-N 2.85Å; D728-S730 VanDerWaalsContact O-N 3.14Å; D728-S730 VanDerWaalsContact OD1-CB 3.3Å; D728-S730 WeakPolarHBondContact OD1-CB 3.35Å; D728-S730 PolarHBondContact OD1-N 2.81Å; D728-S730 VanDerWaalsContact OD1-N 3.17Å; D728-S730 PolarHBondContact OD1-OG 2.85Å; D728-K731 HydrophobicContact CB-CB 4.14Å; D728-K731 HydrophobicContact CB-CD 3.93Å; D728-K731 HydrophobicContact CB-CG 3.99Å; D728-K731 WeakPolarHBondContact O-CA 3.34Å; D728-K731 WeakPolarHBondContact O-CB 3.46Å; D728-K731 PolarHBondContact O-N 2.76Å; D728-K731 PolarHBondContact OD1-N 2.78Å; D728-K731 VanDerWaalsContact OD2-CE 3.23Å; D728-K731 WeakPolarHBondContact OD2-CE 3.22Å; D728-K731 WeakPolarHBondContact OD2-CG 3.5Å; D728-F732 PolarHBondContact O-N 2.93Å | ||
| 729 | L | 51.8 | Low | 46.9 | Very low | 48 Ų | 48 | 69.4 Ų | 69.4 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.7 | -26.6 | -175 | 179.9 | 65.4 | 0 | 0 | 0 | 109.7 | L697 Q701 Y704 P727 K731 F732 Q733 | L697-L729 HydrophobicContact CD1-CD1 3.85Å; Q701-L729 HydrophobicContact CG-CD1 4.02Å; Q701-L729 HydrophobicContact CG-CD2 3.99Å; Y704-L729 HydrophobicContact CD2-CD2 4.22Å; Y704-L729 HydrophobicContact CE2-CD1 4.17Å; P727-L729 VanDerWaalsContact C-N 3.28Å; P727-L729 PolarHBondContact O-N 2.96Å; L729-K731 VanDerWaalsContact C-N 3.33Å; L729-F732 PolarHBondContact O-N 3.13Å; L729-Q733 WeakPolarHBondContact O-CA 3.42Å; L729-Q733 WeakPolarHBondContact O-CB 2.95Å; L729-Q733 PolarHBondContact O-N 3.27Å |
| 730 | S | 55.2 | Low | 48 | Very low | 56 Ų | 56 | 68.3 Ų | 68.3 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67 | -32.8 | 172.2 | 88.7 | 0 | 0 | 0 | 0 | 112.2 | D728 K734 | D728-S730 PolarHBondContact O-N 2.85Å; D728-S730 VanDerWaalsContact O-N 3.14Å; D728-S730 VanDerWaalsContact OD1-CB 3.3Å; D728-S730 WeakPolarHBondContact OD1-CB 3.35Å; D728-S730 PolarHBondContact OD1-N 2.81Å; D728-S730 VanDerWaalsContact OD1-N 3.17Å; D728-S730 PolarHBondContact OD1-OG 2.85Å; S730-K734 WeakPolarHBondContact O-CB 3.28Å; S730-K734 WeakPolarHBondContact O-CD 3.38Å; S730-K734 WeakPolarHBondContact O-CG 3.44Å; S730-K734 PolarHBondContact O-N 3.2Å |
| 731 | K | 52.3 | Low | 48.8 | Very low | 79 Ų | 79 | 65.4 Ų | 65.4 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -73.6 | -45.6 | 171.4 | -70.5 | 179.7 | -169.8 | -177.6 | 0 | 112.1 | D728 L729 Q733 K734 L735 | D728-K731 HydrophobicContact CB-CB 4.14Å; D728-K731 HydrophobicContact CB-CD 3.93Å; D728-K731 HydrophobicContact CB-CG 3.99Å; D728-K731 WeakPolarHBondContact O-CA 3.34Å; D728-K731 WeakPolarHBondContact O-CB 3.46Å; D728-K731 PolarHBondContact O-N 2.76Å; D728-K731 PolarHBondContact OD1-N 2.78Å; D728-K731 VanDerWaalsContact OD2-CE 3.23Å; D728-K731 WeakPolarHBondContact OD2-CE 3.22Å; D728-K731 WeakPolarHBondContact OD2-CG 3.5Å; L729-K731 VanDerWaalsContact C-N 3.33Å; K731-Q733 VanDerWaalsContact C-N 3.35Å; K731-K734 CarbonylContact O-C 3.53Å; K731-K734 PolarHBondContact O-N 3.45Å; K731-L735 VanDerWaalsContact O-CB 3.22Å; K731-L735 WeakPolarHBondContact O-CB 3.04Å; K731-L735 PolarHBondContact O-N 2.97Å |
| 732 | F | 56.7 | Low | 49.4 | Very low | 7 Ų | 7 | 64.2 Ų | 64.2 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 178 | -168.3 | -110.4 | 0 | 0 | 0 | 111.4 | L697 L700 D728 L729 L735 V736 W805 I833 | L697-F732 HydrophobicContact CB-CD1 4.44Å; L697-F732 HydrophobicContact CB-CE1 4.08Å; L697-F732 HydrophobicContact CD1-CD1 3.62Å; L697-F732 HydrophobicContact CD1-CE1 4.13Å; L700-F732 HydrophobicContact CD1-CD1 3.96Å; L700-F732 HydrophobicContact CD1-CE1 3.67Å; L700-F732 HydrophobicContact CD1-CZ 4.26Å; D728-F732 PolarHBondContact O-N 2.93Å; L729-F732 PolarHBondContact O-N 3.13Å; F732-L735 HydrophobicContact CD2-CD2 3.87Å; F732-L735 HydrophobicContact CE2-CD2 3.78Å; F732-L735 WeakPolarHBondContact O-CB 3.4Å; F732-L735 PolarHBondContact O-N 2.8Å; F732-V736 HydrophobicContact CD1-CG2 4.21Å; F732-V736 HydrophobicContact CE1-CG2 3.75Å; F732-V736 HydrophobicContact CE2-CG2 4.33Å; F732-V736 HydrophobicContact CZ-CG2 3.83Å; F732-V736 WeakPolarHBondContact O-CG2 3.2Å; F732-V736 PolarHBondContact O-N 2.9Å; F732-W805 HydrophobicContact CE2-CD2 4.5Å; F732-W805 HydrophobicContact CE2-CG 4.34Å; F732-I833 HydrophobicContact CB-CD1 3.86Å; F732-I833 HydrophobicContact CD2-CD1 3.99Å; F732-I833 HydrophobicContact CG-CD1 4.36Å |
| 733 | Q | 61.1 | Low | 50.2 | Low | 69 Ų | 69 | 64.9 Ų | 64.9 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 171.3 | -179 | 176.9 | -13.3 | 0 | 0 | 111.2 | L697 L729 K731 L735 V736 Q737 | L697-Q733 HydrophobicContact CD1-CB 4.13Å; L697-Q733 HydrophobicContact CD2-CB 4.41Å; L697-Q733 HydrophobicContact CD2-CG 4.23Å; L729-Q733 WeakPolarHBondContact O-CA 3.42Å; L729-Q733 WeakPolarHBondContact O-CB 2.95Å; L729-Q733 PolarHBondContact O-N 3.27Å; K731-Q733 VanDerWaalsContact C-N 3.35Å; Q733-L735 PolarHBondContact O-N 3.07Å; Q733-V736 PolarHBondContact O-N 2.86Å; Q733-Q737 HydrophobicContact CG-CG 4.18Å; Q733-Q737 WeakPolarHBondContact O-CA 3.26Å; Q733-Q737 WeakPolarHBondContact O-CB 3.19Å; Q733-Q737 WeakPolarHBondContact O-CG 3.34Å; Q733-Q737 PolarHBondContact O-N 3.47Å |
| 734 | K | 54.2 | Low | 50.6 | Low | 125 Ų | 125 | 63.7 Ų | 63.7 | 54% | 0.543 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59 | -35.2 | 172.5 | -82.6 | 167.7 | -176.7 | 170.3 | 0 | 112.4 | S730 K731 S738 | S730-K734 WeakPolarHBondContact O-CB 3.28Å; S730-K734 WeakPolarHBondContact O-CD 3.38Å; S730-K734 WeakPolarHBondContact O-CG 3.44Å; S730-K734 PolarHBondContact O-N 3.2Å; K731-K734 CarbonylContact O-C 3.53Å; K731-K734 PolarHBondContact O-N 3.45Å; K734-S738 VanDerWaalsContact O-CB 3.28Å; K734-S738 WeakPolarHBondContact O-CB 3.16Å; K734-S738 PolarHBondContact O-N 3.1Å; K734-S738 PolarHBondContact O-OG 2.82Å |
| 735 | L | 54.3 | Low | 50.8 | Low | 10 Ų | 10 | 68.4 Ų | 68.4 | 5% | 0.052 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.9 | -43.9 | 179.1 | 165.3 | 154.5 | 0 | 0 | 0 | 111.7 | K731 F732 Q733 S738 A739 F753 L807 | K731-L735 VanDerWaalsContact O-CB 3.22Å; K731-L735 WeakPolarHBondContact O-CB 3.04Å; K731-L735 PolarHBondContact O-N 2.97Å; F732-L735 HydrophobicContact CD2-CD2 3.87Å; F732-L735 HydrophobicContact CE2-CD2 3.78Å; F732-L735 WeakPolarHBondContact O-CB 3.4Å; F732-L735 PolarHBondContact O-N 2.8Å; Q733-L735 PolarHBondContact O-N 3.07Å; L735-S738 PolarHBondContact O-N 2.79Å; L735-A739 VanDerWaalsContact O-CB 3.28Å; L735-A739 WeakPolarHBondContact O-CB 3.28Å; L735-A739 PolarHBondContact O-N 2.93Å; L735-F753 HydrophobicContact CD1-CD2 3.82Å; L735-F753 HydrophobicContact CD1-CE2 3.82Å; L735-F753 HydrophobicContact CD2-CD2 3.81Å; L735-F753 HydrophobicContact CD2-CE2 3.28Å; L735-F753 HydrophobicContact CD2-CZ 4.05Å; L735-F753 HydrophobicContact CG-CD2 3.93Å; L735-F753 HydrophobicContact CG-CE2 3.89Å; L735-L807 HydrophobicContact CB-CD2 4.48Å; L735-L807 HydrophobicContact CD1-CB 4.03Å; L735-L807 HydrophobicContact CD1-CD1 4.13Å; L735-L807 HydrophobicContact CD1-CD2 4.37Å; L735-L807 HydrophobicContact CD1-CG 4.42Å; L735-L807 HydrophobicContact CG-CD1 4.47Å |
| 736 | V | 61.5 | Low | 50.8 | Low | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.7 | -36.7 | 174.4 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | L693 L697 F732 Q733 A739 T740 | L693-V736 HydrophobicContact CB-CG1 4.13Å; L693-V736 HydrophobicContact CB-CG2 4.38Å; L697-V736 HydrophobicContact CB-CG1 4.35Å; L697-V736 HydrophobicContact CB-CG2 4.29Å; L697-V736 HydrophobicContact CD2-CB 4.16Å; L697-V736 HydrophobicContact CD2-CG1 4.05Å; F732-V736 HydrophobicContact CD1-CG2 4.21Å; F732-V736 HydrophobicContact CE1-CG2 3.75Å; F732-V736 HydrophobicContact CE2-CG2 4.33Å; F732-V736 HydrophobicContact CZ-CG2 3.83Å; F732-V736 WeakPolarHBondContact O-CG2 3.2Å; F732-V736 PolarHBondContact O-N 2.9Å; Q733-V736 PolarHBondContact O-N 2.86Å; V736-A739 PolarHBondContact O-N 3.36Å; V736-T740 WeakPolarHBondContact O-CB 3.29Å; V736-T740 WeakPolarHBondContact O-CG2 2.98Å; V736-T740 PolarHBondContact O-N 2.86Å; V736-T740 PolarHBondContact O-OG1 2.73Å |
| 737 | Q | 61.4 | Low | 50.8 | Low | 72 Ų | 72 | 65.6 Ų | 65.6 | 34% | 0.336 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 170.3 | -77.8 | 176.4 | -37.1 | 0 | 0 | 110.5 | Q733 A739 T740 E741 | Q733-Q737 HydrophobicContact CG-CG 4.18Å; Q733-Q737 WeakPolarHBondContact O-CA 3.26Å; Q733-Q737 WeakPolarHBondContact O-CB 3.19Å; Q733-Q737 WeakPolarHBondContact O-CG 3.34Å; Q733-Q737 PolarHBondContact O-N 3.47Å; Q737-A739 VanDerWaalsContact C-N 3.33Å; Q737-A739 PolarHBondContact O-N 3.24Å; Q737-T740 WeakPolarHBondContact CA-OG1 3.45Å; Q737-T740 CarbonylContact O-C 3.54Å; Q737-T740 PolarHBondContact O-N 3.08Å; Q737-T740 PolarHBondContact O-OG1 3.23Å; Q737-E741 WeakPolarHBondContact O-CA 3.35Å; Q737-E741 WeakPolarHBondContact O-CB 3.49Å; Q737-E741 WeakPolarHBondContact O-CG 2.94Å; Q737-E741 PolarHBondContact O-N 2.89Å |
| 738 | S | 52.3 | Low | 50.6 | Low | 28 Ų | 28 | 71.1 Ų | 71.1 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -55.4 | -48.4 | 173.7 | -68.1 | 0 | 0 | 0 | 0 | 111.1 | K734 L735 T740 E741 L742 F749 | K734-S738 VanDerWaalsContact O-CB 3.28Å; K734-S738 WeakPolarHBondContact O-CB 3.16Å; K734-S738 PolarHBondContact O-N 3.1Å; K734-S738 PolarHBondContact O-OG 2.82Å; L735-S738 PolarHBondContact O-N 2.79Å; S738-T740 PolarHBondContact O-N 2.88Å; S738-E741 PolarHBondContact O-N 3.05Å; S738-L742 VanDerWaalsContact O-CG 3.3Å; S738-L742 WeakPolarHBondContact O-CG 3.31Å; S738-L742 PolarHBondContact O-N 2.9Å; S738-F749 VanDerWaalsContact OG-CZ 3.32Å; S738-F749 WeakPolarHBondContact OG-CZ 3.24Å |
| 739 | A | 54.5 | Low | 50.3 | Low | 10 Ų | 10 | 70.8 Ų | 70.8 | 8% | 0.083 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.5 | -25.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | I685 L693 L735 V736 Q737 | I685-A739 HydrophobicContact CD1-CB 3.91Å; L693-A739 HydrophobicContact CD1-CB 4Å; L735-A739 VanDerWaalsContact O-CB 3.28Å; L735-A739 WeakPolarHBondContact O-CB 3.28Å; L735-A739 PolarHBondContact O-N 2.93Å; V736-A739 PolarHBondContact O-N 3.36Å; Q737-A739 VanDerWaalsContact C-N 3.33Å; Q737-A739 PolarHBondContact O-N 3.24Å |
| 740 | T | 56.8 | Low | 50.4 | Low | 46 Ų | 46 | 73.1 Ų | 73.1 | 28% | 0.282 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -99.4 | -27 | 177.4 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | A690 V736 Q737 S738 H743 | A690-T740 HydrophobicContact CB-CG2 3.62Å; V736-T740 WeakPolarHBondContact O-CB 3.29Å; V736-T740 WeakPolarHBondContact O-CG2 2.98Å; V736-T740 PolarHBondContact O-N 2.86Å; V736-T740 PolarHBondContact O-OG1 2.73Å; Q737-T740 WeakPolarHBondContact CA-OG1 3.45Å; Q737-T740 CarbonylContact O-C 3.54Å; Q737-T740 PolarHBondContact O-N 3.08Å; Q737-T740 PolarHBondContact O-OG1 3.23Å; S738-T740 PolarHBondContact O-N 2.88Å; T740-H743 WeakPolarHBondContact O-CB 3.42Å |
| 741 | E | 49.2 | Very low | 50.4 | Low | 119 Ų | 119 | 73.5 Ų | 73.5 | 56% | 0.556 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -86.6 | -12.8 | 177.4 | -69.6 | -176.6 | 179.9 | 0 | 0 | 112.6 | Q737 S738 H743 S744 | Q737-E741 WeakPolarHBondContact O-CA 3.35Å; Q737-E741 WeakPolarHBondContact O-CB 3.49Å; Q737-E741 WeakPolarHBondContact O-CG 2.94Å; Q737-E741 PolarHBondContact O-N 2.89Å; S738-E741 PolarHBondContact O-N 3.05Å; E741-H743 PolarHBondContact O-N 3.28Å; E741-S744 PolarHBondContact O-N 2.98Å; E741-S744 VanDerWaalsContact O-N 3.09Å; E741-S744 PolarHBondContact O-OG 3.23Å |
| 742 | L | 42.6 | Very low | 50.9 | Low | 37 Ų | 37 | 70.4 Ų | 70.4 | 19% | 0.194 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -39 | -26.5 | 157.4 | -92.6 | 178.3 | 0 | 0 | 0 | 112.7 | A683 I685 S738 S744 F749 | A683-L742 HydrophobicContact CB-CD1 3.62Å; A683-L742 HydrophobicContact CB-CD2 3.68Å; A683-L742 HydrophobicContact CB-CG 4.3Å; I685-L742 HydrophobicContact CD1-CD1 4.05Å; I685-L742 HydrophobicContact CG1-CD1 4.17Å; S738-L742 VanDerWaalsContact O-CG 3.3Å; S738-L742 WeakPolarHBondContact O-CG 3.31Å; S738-L742 PolarHBondContact O-N 2.9Å; L742-S744 PolarHBondContact O-N 3.48Å; L742-F749 HydrophobicContact CD2-CB 3.83Å; L742-F749 HydrophobicContact CD2-CD2 4.35Å; L742-F749 HydrophobicContact CD2-CG 4.14Å |
| 743 | H | 45.1 | Very low | 51.4 | Low | 144 Ų | 144 | 70.8 Ų | 70.8 | 67% | 0.667 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -16.9 | -177.3 | -129.5 | -61.4 | 0 | 0 | 0 | 116.7 | T740 E741 | T740-H743 WeakPolarHBondContact O-CB 3.42Å; E741-H743 PolarHBondContact O-N 3.28Å |
| 744 | S | 42.5 | Very low | 52.1 | Low | 88 Ų | 88 | 70.4 Ų | 70.4 | 62% | 0.615 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -44.8 | -164.8 | 70.5 | 0 | 0 | 0 | 0 | 117.7 | E741 L742 | E741-S744 PolarHBondContact O-N 2.98Å; E741-S744 VanDerWaalsContact O-N 3.09Å; E741-S744 PolarHBondContact O-OG 3.23Å; L742-S744 PolarHBondContact O-N 3.48Å |
| 745 | L | 35.8 | Very low | 53.4 | Low | 148 Ų | 148 | 64.5 Ų | 64.5 | 78% | 0.775 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -138.6 | -23.4 | -161.7 | -83.4 | 159.5 | 0 | 0 | 0 | 117.2 | P747 | L745-P747 WeakPolarHBondContact O-CD 3.37Š|
| 746 | C | 37.5 | Very low | 54.9 | Low | 68 Ų | 68 | 67.2 Ų | 67.2 | 46% | 0.459 | 36% | 0.356 | S | S | . | . | trans | -125.3 | 89.4 | -165.2 | -70 | 0 | 0 | 0 | 0 | 113.9 | N748 F749 | C746-N748 PolarHBondContact O-N 3.24Å; C746-F749 HydrophobicContact CB-CD2 4.06Å | ||
| 747 | P | 42 | Very low | 56.2 | Low | 127 Ų | 127 | 67.1 Ų | 67.1 | 83% | 0.825 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -9.9 | 166.8 | 28.6 | -35.1 | 0 | 0 | 0 | 113.5 | L745 | L745-P747 WeakPolarHBondContact O-CD 3.37Š|
| 748 | N | 43.7 | Very low | 57.5 | Low | 136 Ų | 136 | 64.1 Ų | 64.1 | 73% | 0.727 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 34.5 | -179.7 | -63 | 2.1 | 0 | 0 | 0 | 112.5 | C746 E750 | C746-N748 PolarHBondContact O-N 3.24Å; N748-E750 WeakPolarHBondContact O-CG 3.38Å; N748-E750 PolarHBondContact O-N 3.27Å |
| 749 | F | 46.2 | Very low | 59.1 | Low | 67 Ų | 67 | 63.8 Ų | 63.8 | 29% | 0.294 | 34% | 0.34 | S | S | . | . | trans | -73.8 | 117.8 | 174.2 | -126.9 | -83.2 | 0 | 0 | 0 | 109.9 | S738 L742 C746 E751 | S738-F749 VanDerWaalsContact OG-CZ 3.32Å; S738-F749 WeakPolarHBondContact OG-CZ 3.24Å; L742-F749 HydrophobicContact CD2-CB 3.83Å; L742-F749 HydrophobicContact CD2-CD2 4.35Å; L742-F749 HydrophobicContact CD2-CG 4.14Å; C746-F749 HydrophobicContact CB-CD2 4.06Å; F749-E751 HydrophobicContact CD1-CB 4.38Å | ||
| 750 | E | 53.1 | Low | 60.8 | Low | 97 Ų | 97 | 66.2 Ų | 66.2 | 45% | 0.453 | 35% | 0.351 | S | S | . | . | trans | -98.6 | 21.8 | -171.6 | -51.6 | -166.2 | 155.3 | 0 | 0 | 113.4 | N748 P809 I810 N811 | N748-E750 WeakPolarHBondContact O-CG 3.38Å; N748-E750 PolarHBondContact O-N 3.27Å; E750-P809 CarbonylContact O-C 3.46Å; E750-P809 WeakPolarHBondContact O-CA 3.46Å; E750-I810 VanDerWaalsContact C-CD1 3.49Å; E750-I810 WeakPolarHBondContact O-CB 3.28Å; E750-I810 VanDerWaalsContact O-CG1 3.26Å; E750-I810 WeakPolarHBondContact O-CG1 3.21Å; E750-I810 PolarHBondContact O-N 3.49Å; E750-N811 HydrophobicContact CB-CB 4.38Å; E750-N811 PolarHBondContact OE1-ND2 2.98Å; E750-N811 WeakPolarHBondContact OE2-CB 3.14Å; E750-N811 VanDerWaalsContact OE2-CG 3.32Å; E750-N811 PolarHBondContact OE2-ND2 2.82Å | ||
| 751 | E | 55.9 | Low | 62.4 | Low | 64 Ų | 64 | 64.9 Ų | 64.9 | 30% | 0.299 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 137.4 | -176.6 | -63.4 | -177.7 | 145 | 0 | 0 | 111.4 | F749 L807 I808 | F749-E751 HydrophobicContact CD1-CB 4.38Å; E751-L807 HydrophobicContact CB-CD1 3.89Å; E751-L807 HydrophobicContact CB-CG 4.15Å; E751-L807 HydrophobicContact CG-CG 4.49Å; E751-L807 WeakPolarHBondContact OE2-CD2 3.45Å; E751-I808 WeakPolarHBondContact CA-O 3.41Å |
| 752 | Q | 62.6 | Low | 64.4 | Low | 13 Ų | 13 | 62 Ų | 62 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 138.8 | 175.4 | -96.3 | 163.9 | 41.6 | 0 | 0 | 111.1 | L632 N633 I808 I810 | L632-Q752 VanDerWaalsContact C-NE2 3.32Å; N633-Q752 PolarHBondContact OD1-NE2 2.93Å; Q752-I808 PolarHBondContact N-O 2.82Å; Q752-I808 PolarHBondContact O-N 2.85Å; Q752-I808 VanDerWaalsContact O-N 3.12Å; Q752-I810 HydrophobicContact CB-CD1 4.26Å; Q752-I810 HydrophobicContact CB-CG1 4.02Å; Q752-I810 HydrophobicContact CG-CD1 3.69Å; Q752-I810 HydrophobicContact CG-CG1 3.84Å |
| 753 | F | 67.3 | Low | 66.8 | Low | 15 Ų | 15 | 60.5 Ų | 60.5 | 7% | 0.066 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 111.9 | 179.3 | -179.8 | -119.4 | 0 | 0 | 0 | 110.6 | S680 L681 L693 L735 W805 | S680-F753 WeakPolarHBondContact CA-O 3.07Å; L681-F753 HydrophobicContact CB-CD1 4.49Å; L681-F753 HydrophobicContact CD1-CD1 4.12Å; L681-F753 HydrophobicContact CD1-CE1 4.38Å; L681-F753 PolarHBondContact N-O 3.23Å; L693-F753 HydrophobicContact CD1-CE1 4.25Å; L693-F753 HydrophobicContact CD2-CE1 3.64Å; L693-F753 HydrophobicContact CD2-CZ 3.73Å; L735-F753 HydrophobicContact CD1-CD2 3.82Å; L735-F753 HydrophobicContact CD1-CE2 3.82Å; L735-F753 HydrophobicContact CD2-CD2 3.81Å; L735-F753 HydrophobicContact CD2-CE2 3.28Å; L735-F753 HydrophobicContact CD2-CZ 4.05Å; L735-F753 HydrophobicContact CG-CD2 3.93Å; L735-F753 HydrophobicContact CG-CE2 3.89Å; F753-W805 AromaticContact CE1-CE3 3.97Å; F753-W805 HydrophobicContact CE1-CE3 3.97Å; F753-W805 HydrophobicContact CE1-CH2 4.46Å; F753-W805 AromaticContact CE1-CZ3 3.48Å; F753-W805 HydrophobicContact CE1-CZ3 3.48Å; F753-W805 VanDerWaalsContact CE1-CZ3 3.48Å; F753-W805 HydrophobicContact CE2-CD2 4.46Å; F753-W805 AromaticContact CE2-CE3 3.53Å; F753-W805 HydrophobicContact CE2-CE3 3.53Å; F753-W805 AromaticContact CE2-CZ3 3.92Å; F753-W805 HydrophobicContact CE2-CZ3 3.92Å; F753-W805 HydrophobicContact CZ-CD2 4.26Å; F753-W805 AromaticContact CZ-CE3 3.18Å; F753-W805 HydrophobicContact CZ-CE3 3.18Å; F753-W805 HydrophobicContact CZ-CH2 4.07Å; F753-W805 AromaticContact CZ-CZ3 3.06Å; F753-W805 HydrophobicContact CZ-CZ3 3.06Å |
| 754 | W | 76.2 | Confident | 69.1 | Low | 62 Ų | 62 | 54.7 Ų | 54.7 | 24% | 0.235 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 143.6 | -179 | -75.1 | 82.6 | 0 | 0 | 0 | 111.4 | V678 Q679 S680 S806 I808 | V678-W754 HydrophobicContact CG1-CE3 3.9Å; V678-W754 HydrophobicContact CG1-CZ3 3.81Å; Q679-W754 WeakPolarHBondContact O-CA 3.31Å; S680-W754 VanDerWaalsContact OG-CE2 3.31Å; S680-W754 PolarHBondContact OG-NE1 3.01Å; W754-S806 PolarHBondContact N-O 2.8Å; W754-S806 PolarHBondContact O-N 3.03Å; W754-I808 HydrophobicContact CG-CD1 4.14Å |
| 755 | C | 80.5 | Confident | 71.4 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 132.5 | 176.3 | 177.2 | 0 | 0 | 0 | 0 | 109.5 | V678 Q679 I804 W805 | V678-C755 CarbonylContact C-O 3.58Å; V678-C755 WeakPolarHBondContact CA-O 3.45Å; Q679-C755 HydrophobicContact CG-CB 3.64Å; Q679-C755 PolarHBondContact N-O 3.27Å; Q679-C755 PolarHBondContact O-N 2.78Å; C755-I804 CarbonylContact C-O 3.53Å; C755-I804 WeakPolarHBondContact CA-O 3.35Å; C755-W805 HydrophobicContact CB-CD2 4.32Å; C755-W805 HydrophobicContact CB-CE3 3.47Å; C755-W805 VanDerWaalsContact CB-CE3 3.47Å; C755-W805 HydrophobicContact CB-CH2 4.1Å; C755-W805 HydrophobicContact CB-CZ3 3.33Å; C755-W805 WeakPolarHBondContact SG-CZ3 3.45Å |
| 756 | I | 86.1 | Confident | 73.8 | Confident | 66 Ų | 66 | 43.4 Ų | 43.4 | 34% | 0.338 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 121.6 | 166.4 | -54.6 | 175.8 | 0 | 0 | 0 | 106 | I676 I677 V678 T803 I804 | I676-I756 HydrophobicContact CG2-CG2 3.82Å; I677-I756 CarbonylContact O-C 3.59Å; I677-I756 WeakPolarHBondContact O-CA 3.48Å; V678-I756 HydrophobicContact CG1-CG1 4.22Å; V678-I756 HydrophobicContact CG2-CG1 4.2Å; V678-I756 HydrophobicContact CG2-CG2 4.27Å; I756-T803 CarbonylContact O-C 3.41Å; I756-T803 WeakPolarHBondContact O-CA 3.37Å; I756-I804 HydrophobicContact CB-CB 4.27Å; I756-I804 PolarHBondContact N-O 3.01Å; I756-I804 PolarHBondContact O-N 2.97Å |
| 757 | H | 87.9 | Confident | 75.9 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 130.3 | 179.9 | 177.1 | 72.7 | 0 | 0 | 0 | 110.2 | I677 T803 P842 | I677-H757 PolarHBondContact N-O 2.83Å; I677-H757 PolarHBondContact O-N 2.81Å; H757-T803 HydrophobicContact CB-CG2 4.34Å; H757-T803 PolarHBondContact ND1-OG1 2.98Å; H757-P842 HydrophobicContact CB-CG 4.41Å |
| 758 | C | 88.8 | Confident | 77.4 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 5% | 0.054 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 104 | 178.5 | -45 | 0 | 0 | 0 | 0 | 107.6 | Q675 N760 V761 P801 L802 | Q675-C758 WeakPolarHBondContact O-CA 3.41Å; C758-N760 VanDerWaalsContact C-N 3.3Å; C758-N760 PolarHBondContact O-N 3.01Å; C758-V761 HydrophobicContact CB-CG2 3.45Å; C758-V761 VanDerWaalsContact CB-CG2 3.45Å; C758-P801 WeakPolarHBondContact O-CA 3.29Å; C758-L802 HydrophobicContact CB-CB 4.3Å; C758-L802 PolarHBondContact N-O 3.09Å; C758-L802 PolarHBondContact O-N 2.57Å |
| 759 | P | 86.9 | Confident | 78.5 | Confident | 22 Ų | 22 | 30.8 Ų | 30.8 | 14% | 0.143 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | -37.1 | -175.2 | -23.4 | 33.8 | 0 | 0 | 0 | 113.1 | Q675 P801 | Q675-P759 WeakPolarHBondContact O-CD 3.38Å; P759-P801 VanDerWaalsContact O-CA 3.31Å; P759-P801 WeakPolarHBondContact O-CA 3.46Å; P759-P801 VanDerWaalsContact O-CB 3.31Å; P759-P801 WeakPolarHBondContact O-CB 3.39Å |
| 760 | N | 89.6 | Confident | 79.2 | Confident | 60 Ų | 60 | 29.2 Ų | 29.2 | 32% | 0.321 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 128.5 | 171 | -63.9 | -78.6 | 0 | 0 | 0 | 110.2 | S673 D674 C758 W762 S799 L800 | S673-N760 CarbonylContact C-O 3.59Å; S673-N760 WeakPolarHBondContact CA-O 3.49Å; S673-N760 WeakPolarHBondContact CB-O 3.23Å; S673-N760 PolarHBondContact OG-O 3.17Å; D674-N760 HydrophobicContact CB-CB 4.23Å; D674-N760 PolarHBondContact N-O 3.45Å; D674-N760 PolarHBondContact OD1-N 2.84Å; D674-N760 VanDerWaalsContact OD1-O 3.11Å; D674-N760 PolarHBondContact OD2-ND2 2.78Å; C758-N760 VanDerWaalsContact C-N 3.3Å; C758-N760 PolarHBondContact O-N 3.01Å; N760-W762 HydrophobicContact CB-CZ3 4.46Å; N760-S799 WeakPolarHBondContact CB-OG 3.39Å; N760-S799 PolarHBondContact OD1-OG 2.82Å; N760-S799 VanDerWaalsContact OD1-OG 3.08Å; N760-L800 CarbonylContact C-O 3.53Å |
| 761 | V | 90.1 | Very high | 79.1 | Confident | 18 Ų | 18 | 30.1 Ų | 30.1 | 11% | 0.109 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.8 | 170.3 | 165.8 | 0 | 0 | 0 | 0 | 108 | L671 Q672 C758 S799 L800 L802 | L671-V761 HydrophobicContact CD1-CG1 3.76Å; Q672-V761 WeakPolarHBondContact O-CA 3.5Å; C758-V761 HydrophobicContact CB-CG2 3.45Å; C758-V761 VanDerWaalsContact CB-CG2 3.45Å; V761-S799 WeakPolarHBondContact O-CA 3.45Å; V761-L800 PolarHBondContact N-O 3.38Å; V761-L800 PolarHBondContact O-N 3.4Å; V761-L802 HydrophobicContact CG2-CB 4.46Å |
| 762 | W | 92.2 | Very high | 78.7 | Confident | 60 Ų | 60 | 30.2 Ų | 30.2 | 23% | 0.227 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 167.3 | 173.1 | 67.1 | 95.5 | 0 | 0 | 0 | 110 | M643 Q672 D674 N760 I797 | M643-W762 HydrophobicContact CE-CH2 3.85Å; Q672-W762 HydrophobicContact CB-CD2 4.42Å; Q672-W762 HydrophobicContact CB-CH2 4.36Å; Q672-W762 HydrophobicContact CB-CZ2 3.78Å; Q672-W762 VanDerWaalsContact CD-CZ2 3.45Å; Q672-W762 HydrophobicContact CG-CH2 3.78Å; Q672-W762 HydrophobicContact CG-CZ2 3.45Å; Q672-W762 VanDerWaalsContact CG-CZ2 3.45Å; Q672-W762 PolarHBondContact N-O 2.8Å; Q672-W762 PolarHBondContact O-N 2.83Å; D674-W762 HydrophobicContact CB-CZ3 4.36Å; N760-W762 HydrophobicContact CB-CZ3 4.46Å; W762-I797 WeakPolarHBondContact CA-O 3.47Å; W762-I797 WeakPolarHBondContact CB-O 3.38Å |
| 763 | S | 93.4 | Very high | 77.7 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.028 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 141.9 | 174 | -167.5 | 0 | 0 | 0 | 0 | 111.4 | L669 I670 L796 I797 | L669-S763 WeakPolarHBondContact CD1-OG 3.31Å; I670-S763 CarbonylContact O-C 3.48Å; I670-S763 WeakPolarHBondContact O-CA 3.4Å; I670-S763 WeakPolarHBondContact O-CB 3.31Å; I670-S763 PolarHBondContact O-OG 3.43Å; S763-L796 PolarHBondContact O-N 3.41Å; S763-I797 PolarHBondContact N-O 2.77Å; S763-I797 PolarHBondContact O-N 3.38Å; S763-I797 VanDerWaalsContact O-N 3.12Å |
| 764 | E | 93 | Very high | 76.3 | Confident | 22 Ų | 22 | 42 Ų | 42 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 141.9 | -175.4 | 62.4 | -179.7 | 162.7 | 0 | 0 | 112.2 | L669 I670 L766 R793 Q794 | L669-E764 WeakPolarHBondContact CA-O 3.35Å; I670-E764 HydrophobicContact CB-CG 4.19Å; I670-E764 PolarHBondContact N-O 3.01Å; I670-E764 PolarHBondContact O-N 2.87Å; E764-L766 HydrophobicContact CG-CD2 4.34Å; E764-R793 IonicContact OE1-CZ 3.67Å; E764-R793 IonicContact OE1-NH1 3.57Å; E764-R793 PolarHBondContact OE1-NH1 3.22Å; E764-R793 IonicContact OE2-CZ 2.88Å; E764-R793 IonicContact OE2-NE 3.79Å; E764-R793 IonicContact OE2-NH1 3.82Å; E764-R793 PolarHBondContact OE2-NH1 3.3Å; E764-Q794 CarbonylContact C-O 3.54Å; E764-Q794 VanDerWaalsContact CA-O 3.3Å; E764-Q794 WeakPolarHBondContact CA-O 3.3Å |
| 765 | F | 90.1 | Very high | 74.2 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 135 | 165.6 | -60.6 | -78.3 | 0 | 0 | 0 | 110.1 | P666 A668 L669 R793 Q794 L796 L866 Q901 F904 L905 | P666-F765 HydrophobicContact CB-CB 4.11Å; P666-F765 HydrophobicContact CB-CD1 4Å; P666-F765 HydrophobicContact CB-CG 4.4Å; P666-F765 HydrophobicContact CG-CD1 4.22Å; A668-F765 WeakPolarHBondContact O-CA 3.27Å; L669-F765 HydrophobicContact CB-CD1 4.32Å; L669-F765 HydrophobicContact CD1-CD1 3.79Å; L669-F765 HydrophobicContact CD1-CE1 3.82Å; L669-F765 HydrophobicContact CD1-CG 4.19Å; L669-F765 HydrophobicContact CD1-CZ 4.25Å; F765-R793 WeakPolarHBondContact O-CA 3.38Å; F765-Q794 HydrophobicContact CB-CB 4.42Å; F765-Q794 HydrophobicContact CD2-CB 4.45Å; F765-Q794 PolarHBondContact N-O 2.89Å; F765-Q794 PolarHBondContact O-N 3.38Å; F765-L796 HydrophobicContact CD2-CB 4.19Å; F765-L796 HydrophobicContact CE2-CB 3.73Å; F765-L796 HydrophobicContact CE2-CD1 3.79Å; F765-L796 HydrophobicContact CE2-CD2 4.44Å; F765-L796 HydrophobicContact CE2-CG 4.16Å; F765-L796 HydrophobicContact CZ-CB 4.28Å; F765-L796 HydrophobicContact CZ-CD1 3.93Å; F765-L796 HydrophobicContact CZ-CD2 4.15Å; F765-L796 HydrophobicContact CZ-CG 4.33Å; F765-L866 HydrophobicContact CE2-CD2 4.21Å; F765-L866 HydrophobicContact CZ-CD2 4.32Å; F765-Q901 HydrophobicContact CD1-CG 4.28Å; F765-Q901 HydrophobicContact CD2-CG 3.89Å; F765-Q901 HydrophobicContact CE1-CB 4.21Å; F765-Q901 HydrophobicContact CE1-CG 4.17Å; F765-Q901 HydrophobicContact CE2-CB 4.11Å; F765-Q901 VanDerWaalsContact CE2-CD 3.46Å; F765-Q901 HydrophobicContact CE2-CG 3.76Å; F765-Q901 HydrophobicContact CG-CG 4.13Å; F765-Q901 HydrophobicContact CZ-CB 3.84Å; F765-Q901 HydrophobicContact CZ-CG 3.91Å; F765-F904 HydrophobicContact CD1-CD1 4.24Å; F765-F904 HydrophobicContact CE1-CD1 4.03Å; F765-L905 HydrophobicContact CE1-CD2 4.21Å; F765-L905 HydrophobicContact CE1-CG 4.16Å; F765-L905 HydrophobicContact CZ-CD1 4.06Å; F765-L905 HydrophobicContact CZ-CD2 4.18Å; F765-L905 HydrophobicContact CZ-CG 4Å |
| 766 | L | 87.1 | Confident | 71.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 123 | 167.2 | -57.4 | -168.9 | 0 | 0 | 0 | 109.8 | I529 H667 A668 I670 E764 I791 R793 | I529-L766 HydrophobicContact CD1-CB 4.35Å; I529-L766 HydrophobicContact CD1-CD1 3.99Å; I529-L766 HydrophobicContact CG1-CD1 3.9Å; H667-L766 WeakPolarHBondContact CA-O 3.41Å; H667-L766 WeakPolarHBondContact CB-O 3.15Å; H667-L766 PolarHBondContact N-O 2.86Å; A668-L766 HydrophobicContact CB-CB 4.49Å; A668-L766 PolarHBondContact N-O 3.43Å; A668-L766 PolarHBondContact O-N 3.05Å; I670-L766 HydrophobicContact CD1-CD1 3.47Å; I670-L766 VanDerWaalsContact CD1-CD1 3.47Å; I670-L766 HydrophobicContact CD1-CG 4.02Å; I670-L766 HydrophobicContact CG1-CD1 4.2Å; I670-L766 HydrophobicContact CG1-CG 4.3Å; E764-L766 HydrophobicContact CG-CD2 4.34Å; L766-I791 HydrophobicContact CB-CG2 4.3Å; L766-I791 HydrophobicContact CD2-CG2 4.23Å; L766-R793 HydrophobicContact CD2-CG 3.67Å |
| 767 | T | 80.5 | Confident | 69.2 | Low | 5 Ų | 5 | 55.6 Ų | 55.6 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 122.3 | 174.5 | -58.2 | 0 | 0 | 0 | 0 | 108.9 | P666 V769 Y792 | P666-T767 WeakPolarHBondContact CA-OG1 3.5Å; T767-V769 HydrophobicContact CG2-CG2 4.1Å; T767-Y792 PolarHBondContact N-O 3.44Å; T767-Y792 PolarHBondContact O-N 3.32Å |
| 768 | I | 75 | Confident | 66.5 | Low | 10 Ų | 10 | 63.9 Ų | 63.9 | 5% | 0.051 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129.3 | 176.5 | -53.1 | 175.3 | 0 | 0 | 0 | 108.1 | F517 I525 I529 H667 C789 | F517-I768 HydrophobicContact CE1-CD1 3.61Å; F517-I768 HydrophobicContact CZ-CD1 3.59Å; I525-I768 HydrophobicContact CD1-CG2 4.43Å; I525-I768 HydrophobicContact CG2-CD1 3.9Å; I529-I768 HydrophobicContact CD1-CD1 3.96Å; I529-I768 HydrophobicContact CD1-CG1 4.41Å; H667-I768 HydrophobicContact CB-CD1 4.46Å; H667-I768 HydrophobicContact CB-CG1 4.28Å; H667-I768 PolarHBondContact CE1-O 2.92Å; H667-I768 PolarHBondContact ND1-N 2.82Å; I768-C789 HydrophobicContact CG2-CB 4.37Å |
| 769 | V | 66.8 | Low | 63.8 | Low | 51 Ų | 51 | 70.7 Ų | 70.7 | 31% | 0.309 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 115.7 | -177.3 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | T767 C789 V790 | T767-V769 HydrophobicContact CG2-CG2 4.1Å; V769-C789 WeakPolarHBondContact O-CA 3.29Å; V769-V790 PolarHBondContact N-O 3.31Å; V769-V790 PolarHBondContact O-N 3.28Å |
| 770 | D | 59.4 | Low | 61.3 | Low | 34 Ų | 34 | 76.2 Ų | 76.2 | 18% | 0.182 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 120.8 | 171.8 | -65.1 | 2.1 | 0 | 0 | 0 | 110.1 | F516 T772 C789 | F516-D770 WeakPolarHBondContact CE1-OD1 3.39Å; F516-D770 WeakPolarHBondContact CZ-OD1 3.46Å; F516-D770 WeakPolarHBondContact CZ-OD2 3.31Å; D770-T772 PolarHBondContact O-N 3.5Å; D770-C789 PolarHBondContact OD1-SG 3.39Å |
| 771 | M | 51.3 | Low | 58.8 | Low | 115 Ų | 115 | 78.7 Ų | 78.7 | 57% | 0.567 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -76.7 | -6.2 | 176.5 | -65.9 | -66 | -69.4 | 0 | 0 | 113.2 | T773 D788 V790 | M771-T773 PolarHBondContact O-N 3.43Å; M771-D788 VanDerWaalsContact CB-O 3.32Å; M771-D788 WeakPolarHBondContact CB-O 3.35Å; M771-D788 PolarHBondContact N-O 3.5Å; M771-V790 HydrophobicContact CG-CG2 3.89Å; M771-V790 HydrophobicContact SD-CG2 4.41Å |
| 772 | T | 48.6 | Very low | 56.1 | Low | 66 Ų | 66 | 85.9 Ų | 85.9 | 41% | 0.405 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -73.1 | -6.5 | -173.5 | 58.3 | 0 | 0 | 0 | 0 | 114.8 | D770 Y774 N787 | D770-T772 PolarHBondContact O-N 3.5Å; T772-Y774 VanDerWaalsContact C-N 3.28Å; T772-Y774 PolarHBondContact O-N 3.13Å; T772-N787 HydrophobicContact CG2-CB 4.01Å |
| 773 | T | 41.4 | Very low | 53.5 | Low | 72 Ų | 72 | 88.7 Ų | 88.7 | 44% | 0.442 | 47% | 0.47 | S | S | . | . | G | 310 helix | trans | -74.4 | -7.1 | -177.7 | 42.5 | 0 | 0 | 0 | 0 | 115.3 | M771 K892 | M771-T773 PolarHBondContact O-N 3.43Å; T773-K892 HydrophobicContact CG2-CD 4.38Å |
| 774 | Y | 37.3 | Very low | 50.9 | Low | 205 Ų | 205 | 97 Ų | 97 | 80% | 0.804 | 51% | 0.508 | S | S | * | . | G | 310 helix | trans | -104 | -2.3 | -172.7 | -89.1 | -77.3 | 0 | 0 | 0 | 117.3 | T772 | T772-Y774 VanDerWaalsContact C-N 3.28Å; T772-Y774 PolarHBondContact O-N 3.13Å |
| 775 | H | 32.6 | Very low | 48.2 | Very low | 182 Ų | 182 | 106.8 Ų | 106.8 | 84% | 0.843 | 54% | 0.544 | S | S | * | . | trans | -125.1 | 80.1 | 175 | -85.1 | -75.6 | 0 | 0 | 0 | 112.8 | ||||
| 776 | S | 28.8 | Very low | 45.9 | Very low | 113 Ų | 113 | 111.8 Ų | 111.8 | 79% | 0.79 | 57% | 0.569 | S | S | * | * | trans | -120.8 | 38 | 170.2 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 777 | V | 33.4 | Very low | 43.8 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 72% | 0.715 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -136.1 | 119.3 | 168 | -175.4 | 0 | 0 | 0 | 0 | 108.5 | ||
| 778 | H | 30.8 | Very low | 42.5 | Very low | 176 Ų | 176 | 118.8 Ų | 118.8 | 82% | 0.815 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 49.2 | 84.4 | 171.3 | -81.4 | -88.7 | 0 | 0 | 0 | 118 | ||
| 779 | L | 31.2 | Very low | 41.8 | Very low | 152 Ų | 152 | 120 Ų | 120 | 80% | 0.796 | 62% | 0.616 | S | S | * | * | trans | -153 | 113.3 | 130.9 | -139.8 | 70.7 | 0 | 0 | 0 | 111.8 | N781 | L779-N781 PolarHBondContact O-N 3.02Š| ||
| 780 | T | 34.8 | Very low | 41.9 | Very low | 138 Ų | 138 | 121.3 Ų | 121.3 | 85% | 0.847 | 62% | 0.623 | S | S | * | * | trans | -88.5 | 79.3 | 172.8 | 50.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 781 | N | 36.3 | Very low | 42.8 | Very low | 112 Ų | 112 | 121 Ų | 121 | 60% | 0.599 | 62% | 0.622 | S | S | * | * | trans | -140.6 | 141.3 | 166.1 | -100.8 | -0.7 | 0 | 0 | 0 | 109.6 | L779 D783 | L779-N781 PolarHBondContact O-N 3.02Å; N781-D783 WeakPolarHBondContact CB-OD2 3.25Å; N781-D783 PolarHBondContact O-N 3.29Å; N781-D783 VanDerWaalsContact O-N 3.08Å | ||
| 782 | N | 34.3 | Very low | 44.1 | Very low | 168 Ų | 168 | 120.4 Ų | 120.4 | 90% | 0.898 | 61% | 0.614 | S | S | * | * | trans | -79.6 | 24.4 | -178.5 | -76.3 | -24.3 | 0 | 0 | 0 | 113.1 | H784 | N782-H784 PolarHBondContact O-N 3.21Š| ||
| 783 | D | 37.6 | Very low | 45.8 | Very low | 119 Ų | 119 | 122 Ų | 122 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | trans | -67.1 | 126.7 | 177.2 | -64 | -46.1 | 0 | 0 | 0 | 108.9 | N781 R785 | N781-D783 WeakPolarHBondContact CB-OD2 3.25Å; N781-D783 PolarHBondContact O-N 3.29Å; N781-D783 VanDerWaalsContact O-N 3.08Å; D783-R785 PolarHBondContact O-N 3.25Å | ||
| 784 | H | 38.2 | Very low | 47.9 | Very low | 179 Ų | 179 | 119.6 Ų | 119.6 | 83% | 0.829 | 60% | 0.596 | S | S | * | * | trans | -49.6 | 113.2 | -174.6 | -63.6 | -68.1 | 0 | 0 | 0 | 110.6 | N782 I786 | N782-H784 PolarHBondContact O-N 3.21Å; H784-I786 PolarHBondContact O-N 2.91Å | ||
| 785 | R | 36.9 | Very low | 50.2 | Low | 228 Ų | 228 | 112.2 Ų | 112.2 | 86% | 0.86 | 57% | 0.574 | S | S | * | * | trans | -62.4 | 102.3 | 177.3 | -66.6 | -173.9 | -172.1 | 178.7 | 3.1 | 108.8 | D783 N787 | D783-R785 PolarHBondContact O-N 3.25Å; R785-N787 VanDerWaalsContact C-N 3.33Å; R785-N787 PolarHBondContact O-N 3.23Å; R785-N787 PolarHBondContact O-OD1 3.01Å | ||
| 786 | I | 41.5 | Very low | 52.8 | Low | 105 Ų | 105 | 104.4 Ų | 104.4 | 54% | 0.538 | 54% | 0.539 | S | S | . | . | trans | -69.8 | 96.8 | 169.6 | -60 | 178.5 | 0 | 0 | 0 | 105.5 | H784 D788 | H784-I786 PolarHBondContact O-N 2.91Å; I786-D788 VanDerWaalsContact CG2-OD1 3.3Å; I786-D788 WeakPolarHBondContact CG2-OD1 3.28Å; I786-D788 PolarHBondContact O-N 2.78Å | ||
| 787 | N | 44.3 | Very low | 55.4 | Low | 51 Ų | 51 | 100.5 Ų | 100.5 | 27% | 0.273 | 51% | 0.509 | S | S | . | . | trans | -73.1 | 79.2 | 173.8 | -75.1 | 21.7 | 0 | 0 | 0 | 109 | N519 T772 R785 C789 | N519-N787 PolarHBondContact ND2-ND2 3.37Å; N519-N787 VanDerWaalsContact ND2-ND2 3.19Å; T772-N787 HydrophobicContact CG2-CB 4.01Å; R785-N787 VanDerWaalsContact C-N 3.33Å; R785-N787 PolarHBondContact O-N 3.23Å; R785-N787 PolarHBondContact O-OD1 3.01Å; N787-C789 PolarHBondContact O-N 3.21Å; N787-C789 PolarHBondContact O-SG 2.75Å; N787-C789 VanDerWaalsContact O-SG 3.33Å | ||
| 788 | D | 52.5 | Low | 57.8 | Low | 101 Ų | 101 | 99.9 Ų | 99.9 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | trans | -66.1 | 117.6 | 171.7 | -77.3 | -26.8 | 0 | 0 | 0 | 109.5 | M771 I786 | M771-D788 VanDerWaalsContact CB-O 3.32Å; M771-D788 WeakPolarHBondContact CB-O 3.35Å; M771-D788 PolarHBondContact N-O 3.5Å; I786-D788 VanDerWaalsContact CG2-OD1 3.3Å; I786-D788 WeakPolarHBondContact CG2-OD1 3.28Å; I786-D788 PolarHBondContact O-N 2.78Å | ||
| 789 | C | 60.3 | Low | 60.4 | Low | 36 Ų | 36 | 94.8 Ų | 94.8 | 24% | 0.243 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 129.3 | 178.8 | -59 | 0 | 0 | 0 | 0 | 107.7 | I525 I768 V769 D770 N787 | I525-C789 HydrophobicContact CD1-CB 3.43Å; I525-C789 VanDerWaalsContact CD1-CB 3.43Å; I768-C789 HydrophobicContact CG2-CB 4.37Å; V769-C789 WeakPolarHBondContact O-CA 3.29Å; D770-C789 PolarHBondContact OD1-SG 3.39Å; N787-C789 PolarHBondContact O-N 3.21Å; N787-C789 PolarHBondContact O-SG 2.75Å; N787-C789 VanDerWaalsContact O-SG 3.33Å |
| 790 | V | 68.6 | Low | 62.9 | Low | 77 Ų | 77 | 88.5 Ų | 88.5 | 47% | 0.467 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 138 | -176.8 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | V769 M771 | V769-V790 PolarHBondContact N-O 3.31Å; V769-V790 PolarHBondContact O-N 3.28Å; M771-V790 HydrophobicContact CG-CG2 3.89Å; M771-V790 HydrophobicContact SD-CG2 4.41Å |
| 791 | I | 77.5 | Confident | 65.2 | Low | 29 Ų | 29 | 82.3 Ų | 82.3 | 15% | 0.149 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.3 | 174.1 | -53.6 | 166.1 | 0 | 0 | 0 | 107.8 | I525 E528 L766 R793 | I525-I791 HydrophobicContact CB-CD1 4.25Å; I525-I791 HydrophobicContact CG1-CD1 3.69Å; I525-I791 HydrophobicContact CG1-CG1 3.77Å; E528-I791 HydrophobicContact CB-CD1 3.88Å; E528-I791 HydrophobicContact CG-CD1 4.01Å; E528-I791 WeakPolarHBondContact OE2-CD1 3.38Å; L766-I791 HydrophobicContact CB-CG2 4.3Å; L766-I791 HydrophobicContact CD2-CG2 4.23Å; I791-R793 HydrophobicContact CG2-CG 4.32Å |
| 792 | Y | 78.9 | Confident | 67.3 | Low | 102 Ų | 102 | 78.9 Ų | 78.9 | 40% | 0.4 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 138.2 | 171 | 180 | -126.6 | 0 | 0 | 0 | 109.4 | T767 Q794 | T767-Y792 PolarHBondContact N-O 3.44Å; T767-Y792 PolarHBondContact O-N 3.32Å; Y792-Q794 HydrophobicContact CD1-CG 4.25Å; Y792-Q794 HydrophobicContact CE1-CG 3.53Å; Y792-Q794 HydrophobicContact CE2-CG 4.43Å; Y792-Q794 PolarHBondContact OH-NE2 2.97Å; Y792-Q794 VanDerWaalsContact OH-NE2 3.08Å |
| 793 | R | 85.3 | Confident | 69.4 | Low | 99 Ų | 99 | 70.9 Ų | 70.9 | 37% | 0.374 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.4 | -172.5 | -63.6 | -174.1 | 158.4 | -122.3 | -4.8 | 109.8 | E528 E764 F765 L766 I791 | E528-R793 IonicContact OE2-CZ 3.09Å; E528-R793 IonicContact OE2-NE 2.78Å; E528-R793 PolarHBondContact OE2-NE 3.39Å; E528-R793 IonicContact OE2-NH2 2.73Å; E528-R793 PolarHBondContact OE2-NH2 3.44Å; E764-R793 IonicContact OE1-CZ 3.67Å; E764-R793 IonicContact OE1-NH1 3.57Å; E764-R793 PolarHBondContact OE1-NH1 3.22Å; E764-R793 IonicContact OE2-CZ 2.88Å; E764-R793 IonicContact OE2-NE 3.79Å; E764-R793 IonicContact OE2-NH1 3.82Å; E764-R793 PolarHBondContact OE2-NH1 3.3Å; F765-R793 WeakPolarHBondContact O-CA 3.38Å; L766-R793 HydrophobicContact CD2-CG 3.67Å; I791-R793 HydrophobicContact CG2-CG 4.32Å |
| 794 | Q | 85.1 | Confident | 71.3 | Confident | 22 Ų | 22 | 67 Ų | 67 | 10% | 0.103 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 124.8 | 176.4 | -70.6 | 172.1 | -49.9 | 0 | 0 | 109 | E764 F765 Y792 D897 Q901 | E764-Q794 CarbonylContact C-O 3.54Å; E764-Q794 VanDerWaalsContact CA-O 3.3Å; E764-Q794 WeakPolarHBondContact CA-O 3.3Å; F765-Q794 HydrophobicContact CB-CB 4.42Å; F765-Q794 HydrophobicContact CD2-CB 4.45Å; F765-Q794 PolarHBondContact N-O 2.89Å; F765-Q794 PolarHBondContact O-N 3.38Å; Y792-Q794 HydrophobicContact CD1-CG 4.25Å; Y792-Q794 HydrophobicContact CE1-CG 3.53Å; Y792-Q794 HydrophobicContact CE2-CG 4.43Å; Y792-Q794 PolarHBondContact OH-NE2 2.97Å; Y792-Q794 VanDerWaalsContact OH-NE2 3.08Å; Q794-D897 PolarHBondContact NE2-OD2 3.26Å; Q794-Q901 VanDerWaalsContact CD-NE2 3.29Å |
| 795 | S | 86.1 | Confident | 73 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 138.3 | 173.7 | -172.6 | 0 | 0 | 0 | 0 | 109.9 | S865 | S795-S865 VanDerWaalsContact C-OG 3.28Å; S795-S865 VanDerWaalsContact O-O 3.07Å; S795-S865 PolarHBondContact O-OG 3Å |
| 796 | L | 85.6 | Confident | 74.6 | Confident | 17 Ų | 17 | 48.3 Ų | 48.3 | 9% | 0.089 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -42.6 | 162.1 | 176.8 | 64.2 | 0 | 0 | 0 | 110.6 | L669 S763 F765 F864 S865 L866 L905 | L669-L796 HydrophobicContact CD1-CB 4.17Å; L669-L796 HydrophobicContact CD1-CD2 3.71Å; L669-L796 HydrophobicContact CD2-CD2 4.12Å; S763-L796 PolarHBondContact O-N 3.41Å; F765-L796 HydrophobicContact CD2-CB 4.19Å; F765-L796 HydrophobicContact CE2-CB 3.73Å; F765-L796 HydrophobicContact CE2-CD1 3.79Å; F765-L796 HydrophobicContact CE2-CD2 4.44Å; F765-L796 HydrophobicContact CE2-CG 4.16Å; F765-L796 HydrophobicContact CZ-CB 4.28Å; F765-L796 HydrophobicContact CZ-CD1 3.93Å; F765-L796 HydrophobicContact CZ-CD2 4.15Å; F765-L796 HydrophobicContact CZ-CG 4.33Å; L796-F864 CarbonylContact O-C 3.6Å; L796-F864 VanDerWaalsContact O-CA 3.22Å; L796-F864 WeakPolarHBondContact O-CA 3.46Å; L796-S865 WeakPolarHBondContact CA-O 3.09Å; L796-S865 PolarHBondContact O-N 2.86Å; L796-L866 HydrophobicContact CD1-CD2 3.75Å; L796-L905 HydrophobicContact CD1-CD1 4.37Å; L796-L905 HydrophobicContact CD2-CD2 4.07Å |
| 797 | I | 83.3 | Confident | 75.5 | Confident | 32 Ų | 32 | 44.9 Ų | 44.9 | 16% | 0.164 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 122.1 | -178.9 | -50.9 | -178.5 | 0 | 0 | 0 | 108 | W762 S763 L800 F864 | W762-I797 WeakPolarHBondContact CA-O 3.47Å; W762-I797 WeakPolarHBondContact CB-O 3.38Å; S763-I797 PolarHBondContact N-O 2.77Å; S763-I797 PolarHBondContact O-N 3.38Å; S763-I797 VanDerWaalsContact O-N 3.12Å; I797-L800 HydrophobicContact CG2-CD2 3.88Å; I797-F864 HydrophobicContact CD1-CD1 4.25Å; I797-F864 HydrophobicContact CD1-CE1 3.58Å; I797-F864 HydrophobicContact CD1-CZ 4.2Å; I797-F864 HydrophobicContact CG1-CD1 3.86Å; I797-F864 HydrophobicContact CG1-CE1 3.69Å; I797-F864 HydrophobicContact CG1-CZ 4.47Å |
| 798 | E | 84 | Confident | 76.3 | Confident | 105 Ų | 105 | 45 Ų | 45 | 49% | 0.491 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 156.4 | 173.4 | -65.5 | -169.5 | 164.2 | 0 | 0 | 112.5 | L800 K863 | E798-L800 PolarHBondContact O-N 2.81Å; E798-K863 HydrophobicContact CG-CB 4.33Å |
| 799 | S | 86.9 | Confident | 76.5 | Confident | 68 Ų | 68 | 41.3 Ų | 41.3 | 48% | 0.476 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 117.6 | -174.6 | -172 | 0 | 0 | 0 | 0 | 113.3 | N760 V761 | N760-S799 WeakPolarHBondContact CB-OG 3.39Å; N760-S799 PolarHBondContact OD1-OG 2.82Å; N760-S799 VanDerWaalsContact OD1-OG 3.08Å; V761-S799 WeakPolarHBondContact O-CA 3.45Å |
| 800 | L | 82.7 | Confident | 76.1 | Confident | 21 Ų | 21 | 41.3 Ų | 41.3 | 11% | 0.11 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 153.4 | 179.7 | 64.1 | 82.8 | 0 | 0 | 0 | 112.8 | N760 V761 I797 E798 I836 I862 | N760-L800 CarbonylContact C-O 3.53Å; V761-L800 PolarHBondContact N-O 3.38Å; V761-L800 PolarHBondContact O-N 3.4Å; I797-L800 HydrophobicContact CG2-CD2 3.88Å; E798-L800 PolarHBondContact O-N 2.81Å; L800-I836 HydrophobicContact CD1-CG2 3.77Å; L800-I862 HydrophobicContact CD2-CG1 4.29Å; L800-I862 HydrophobicContact CD2-CG2 3.6Å |
| 801 | P | 83.5 | Confident | 74.9 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 5% | 0.045 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 139.2 | 174.4 | 33 | -34 | 0 | 0 | 0 | 111.6 | C758 P759 D837 K839 | C758-P801 WeakPolarHBondContact O-CA 3.29Å; P759-P801 VanDerWaalsContact O-CA 3.31Å; P759-P801 WeakPolarHBondContact O-CA 3.46Å; P759-P801 VanDerWaalsContact O-CB 3.31Å; P759-P801 WeakPolarHBondContact O-CB 3.39Å; P801-D837 PolarHBondContact O-N 2.82Å; P801-D837 VanDerWaalsContact O-N 3.16Å; P801-K839 HydrophobicContact CG-CG 4Å |
| 802 | L | 80 | Confident | 73.2 | Confident | 40 Ų | 40 | 42.3 Ų | 42.3 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.8 | 179.6 | 175 | 64.7 | 0 | 0 | 0 | 110.1 | C758 V761 I804 I834 I836 | C758-L802 HydrophobicContact CB-CB 4.3Å; C758-L802 PolarHBondContact N-O 3.09Å; C758-L802 PolarHBondContact O-N 2.57Å; V761-L802 HydrophobicContact CG2-CB 4.46Å; L802-I804 HydrophobicContact CD1-CG1 4.43Å; L802-I804 HydrophobicContact CG-CG1 4.44Å; L802-I834 HydrophobicContact CD1-CG2 3.69Å; L802-I836 HydrophobicContact CD1-CD1 4.46Å; L802-I836 HydrophobicContact CD1-CG1 4.06Å |
| 803 | T | 79.5 | Confident | 70.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.7 | 173.5 | -49.4 | 0 | 0 | 0 | 0 | 110.7 | I756 H757 W805 D835 P842 | I756-T803 CarbonylContact O-C 3.41Å; I756-T803 WeakPolarHBondContact O-CA 3.37Å; H757-T803 HydrophobicContact CB-CG2 4.34Å; H757-T803 PolarHBondContact ND1-OG1 2.98Å; T803-W805 HydrophobicContact CG2-CD2 4.5Å; T803-W805 HydrophobicContact CG2-CZ2 4.17Å; T803-D835 PolarHBondContact N-O 2.95Å; T803-D835 PolarHBondContact O-N 3.31Å; T803-D835 VanDerWaalsContact O-O 3.14Å; T803-P842 HydrophobicContact CG2-CG 4.31Å |
| 804 | I | 76.5 | Confident | 68.5 | Low | 37 Ų | 37 | 42.7 Ų | 42.7 | 19% | 0.19 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 117.2 | 178.4 | -52.2 | 179.2 | 0 | 0 | 0 | 108.2 | C755 I756 L802 L832 I833 I834 | C755-I804 CarbonylContact C-O 3.53Å; C755-I804 WeakPolarHBondContact CA-O 3.35Å; I756-I804 HydrophobicContact CB-CB 4.27Å; I756-I804 PolarHBondContact N-O 3.01Å; I756-I804 PolarHBondContact O-N 2.97Å; L802-I804 HydrophobicContact CD1-CG1 4.43Å; L802-I804 HydrophobicContact CG-CG1 4.44Å; I804-L832 HydrophobicContact CG2-CD2 4.01Å; I804-I833 WeakPolarHBondContact CA-O 3.46Å; I804-I834 HydrophobicContact CD1-CD1 4.35Å; I804-I834 HydrophobicContact CD1-CG1 4.46Å; I804-I834 HydrophobicContact CG1-CD1 4.47Å; I804-I834 HydrophobicContact CG1-CG1 4.07Å; I804-I834 HydrophobicContact CG1-CG2 4.34Å; I804-I834 HydrophobicContact CG2-CG1 4.11Å |
| 805 | W | 73.6 | Confident | 65.8 | Low | 5 Ų | 5 | 45.3 Ų | 45.3 | 2% | 0.019 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 138.7 | 173.4 | -59.9 | 98.5 | 0 | 0 | 0 | 110 | L696 F732 F753 C755 T803 L832 I833 P842 | L696-W805 HydrophobicContact CD1-CH2 4.46Å; L696-W805 HydrophobicContact CD1-CZ2 4.37Å; F732-W805 HydrophobicContact CE2-CD2 4.5Å; F732-W805 HydrophobicContact CE2-CG 4.34Å; F753-W805 AromaticContact CE1-CE3 3.97Å; F753-W805 HydrophobicContact CE1-CE3 3.97Å; F753-W805 HydrophobicContact CE1-CH2 4.46Å; F753-W805 AromaticContact CE1-CZ3 3.48Å; F753-W805 HydrophobicContact CE1-CZ3 3.48Å; F753-W805 VanDerWaalsContact CE1-CZ3 3.48Å; F753-W805 HydrophobicContact CE2-CD2 4.46Å; F753-W805 AromaticContact CE2-CE3 3.53Å; F753-W805 HydrophobicContact CE2-CE3 3.53Å; F753-W805 AromaticContact CE2-CZ3 3.92Å; F753-W805 HydrophobicContact CE2-CZ3 3.92Å; F753-W805 HydrophobicContact CZ-CD2 4.26Å; F753-W805 AromaticContact CZ-CE3 3.18Å; F753-W805 HydrophobicContact CZ-CE3 3.18Å; F753-W805 HydrophobicContact CZ-CH2 4.07Å; F753-W805 AromaticContact CZ-CZ3 3.06Å; F753-W805 HydrophobicContact CZ-CZ3 3.06Å; C755-W805 HydrophobicContact CB-CD2 4.32Å; C755-W805 HydrophobicContact CB-CE3 3.47Å; C755-W805 VanDerWaalsContact CB-CE3 3.47Å; C755-W805 HydrophobicContact CB-CH2 4.1Å; C755-W805 HydrophobicContact CB-CZ3 3.33Å; C755-W805 WeakPolarHBondContact SG-CZ3 3.45Å; T803-W805 HydrophobicContact CG2-CD2 4.5Å; T803-W805 HydrophobicContact CG2-CZ2 4.17Å; W805-L832 WeakPolarHBondContact O-CA 3.41Å; W805-I833 HydrophobicContact CB-CB 4.38Å; W805-I833 PolarHBondContact N-O 3.01Å; W805-I833 PolarHBondContact O-N 2.96Å; W805-P842 HydrophobicContact CH2-CB 3.5Å; W805-P842 VanDerWaalsContact CH2-CB 3.5Å; W805-P842 HydrophobicContact CH2-CG 3.92Å; W805-P842 HydrophobicContact CZ2-CB 3.74Å; W805-P842 HydrophobicContact CZ2-CG 3.7Å |
| 806 | S | 70.6 | Confident | 63 | Low | 11 Ų | 11 | 46.7 Ų | 46.7 | 8% | 0.077 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 135.3 | 179.9 | -168.9 | 0 | 0 | 0 | 0 | 111.3 | W754 I808 I830 L832 | W754-S806 PolarHBondContact N-O 2.8Å; W754-S806 PolarHBondContact O-N 3.03Å; S806-I808 WeakPolarHBondContact OG-CG1 3.4Å; S806-I830 WeakPolarHBondContact OG-CG2 2.98Å; S806-L832 VanDerWaalsContact CB-CD2 3.44Å; S806-L832 WeakPolarHBondContact OG-CD2 3.16Å |
| 807 | L | 60.3 | Low | 60.1 | Low | 33 Ų | 33 | 50.2 Ų | 50.2 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 112.2 | 165 | -160.6 | 58.2 | 0 | 0 | 0 | 108.3 | L735 E751 S831 | L735-L807 HydrophobicContact CB-CD2 4.48Å; L735-L807 HydrophobicContact CD1-CB 4.03Å; L735-L807 HydrophobicContact CD1-CD1 4.13Å; L735-L807 HydrophobicContact CD1-CD2 4.37Å; L735-L807 HydrophobicContact CD1-CG 4.42Å; L735-L807 HydrophobicContact CG-CD1 4.47Å; E751-L807 HydrophobicContact CB-CD1 3.89Å; E751-L807 HydrophobicContact CB-CG 4.15Å; E751-L807 HydrophobicContact CG-CG 4.49Å; E751-L807 WeakPolarHBondContact OE2-CD2 3.45Å; L807-S831 PolarHBondContact N-O 3.37Å |
| 808 | I | 61.3 | Low | 57.5 | Low | 53 Ų | 53 | 56.3 Ų | 56.3 | 27% | 0.272 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 117.9 | -178.1 | -55.6 | -178.3 | 0 | 0 | 0 | 108.6 | E751 Q752 W754 S806 I810 I830 | E751-I808 WeakPolarHBondContact CA-O 3.41Å; Q752-I808 PolarHBondContact N-O 2.82Å; Q752-I808 PolarHBondContact O-N 2.85Å; Q752-I808 VanDerWaalsContact O-N 3.12Å; W754-I808 HydrophobicContact CG-CD1 4.14Å; S806-I808 WeakPolarHBondContact OG-CG1 3.4Å; I808-I810 PolarHBondContact O-N 2.83Å; I808-I830 HydrophobicContact CG1-CG2 4.23Å |
| 809 | P | 56.2 | Low | 55 | Low | 23 Ų | 23 | 56.9 Ų | 56.9 | 15% | 0.149 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 121.4 | 169.1 | 28 | -32.6 | 0 | 0 | 0 | 109.4 | E750 N811 | E750-P809 CarbonylContact O-C 3.46Å; E750-P809 WeakPolarHBondContact O-CA 3.46Å; P809-N811 VanDerWaalsContact C-N 3.31Å |
| 810 | I | 53.1 | Low | 52.4 | Low | 36 Ų | 36 | 60.3 Ų | 60.3 | 19% | 0.185 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -71.2 | -33.7 | -176.9 | -48.8 | 162.8 | 0 | 0 | 0 | 109.8 | N633 E750 Q752 I808 I812 | N633-I810 VanDerWaalsContact OD1-CD1 3.22Å; N633-I810 WeakPolarHBondContact OD1-CD1 3.46Å; N633-I810 WeakPolarHBondContact OD1-CG2 3.42Å; E750-I810 VanDerWaalsContact C-CD1 3.49Å; E750-I810 WeakPolarHBondContact O-CB 3.28Å; E750-I810 VanDerWaalsContact O-CG1 3.26Å; E750-I810 WeakPolarHBondContact O-CG1 3.21Å; E750-I810 PolarHBondContact O-N 3.49Å; Q752-I810 HydrophobicContact CB-CD1 4.26Å; Q752-I810 HydrophobicContact CB-CG1 4.02Å; Q752-I810 HydrophobicContact CG-CD1 3.69Å; Q752-I810 HydrophobicContact CG-CG1 3.84Å; I808-I810 PolarHBondContact O-N 2.83Å; I810-I812 PolarHBondContact O-N 2.83Å |
| 811 | N | 43.9 | Very low | 49.9 | Very low | 40 Ų | 40 | 66.9 Ų | 66.9 | 21% | 0.214 | 38% | 0.379 | C | S | . | . | trans | -90 | 72 | 175.7 | -75.6 | 6.4 | 0 | 0 | 0 | 111.3 | R628 E750 P809 S813 | R628-N811 PolarHBondContact NH1-OD1 2.91Å; R628-N811 PolarHBondContact NH2-OD1 2.78Å; E750-N811 HydrophobicContact CB-CB 4.38Å; E750-N811 PolarHBondContact OE1-ND2 2.98Å; E750-N811 WeakPolarHBondContact OE2-CB 3.14Å; E750-N811 VanDerWaalsContact OE2-CG 3.32Å; E750-N811 PolarHBondContact OE2-ND2 2.82Å; P809-N811 VanDerWaalsContact C-N 3.31Å; N811-S813 PolarHBondContact O-N 3.01Å | ||
| 812 | I | 41.1 | Very low | 47.3 | Very low | 87 Ų | 87 | 72.9 Ų | 72.9 | 45% | 0.446 | 41% | 0.411 | S | S | . | . | trans | -75.8 | 72.5 | 151.8 | -50.6 | 177.4 | 0 | 0 | 0 | 107 | I810 M814 | I810-I812 PolarHBondContact O-N 2.83Å; I812-M814 PolarHBondContact O-N 3.33Å; I812-M814 VanDerWaalsContact O-N 3.11Å | ||
| 813 | S | 31.5 | Very low | 44.6 | Very low | 81 Ų | 81 | 79 Ų | 79 | 57% | 0.566 | 44% | 0.438 | S | S | * | . | trans | -68.1 | 103.7 | 169 | 38.5 | 0 | 0 | 0 | 0 | 108.5 | N811 | N811-S813 PolarHBondContact O-N 3.01Š| ||
| 814 | M | 34.3 | Very low | 42.1 | Very low | 128 Ų | 128 | 84.7 Ų | 84.7 | 63% | 0.631 | 48% | 0.475 | S | S | * | . | trans | -60.4 | 143.7 | 169.9 | -83.9 | -69.1 | 175.8 | 0 | 0 | 110.2 | I812 S816 | I812-M814 PolarHBondContact O-N 3.33Å; I812-M814 VanDerWaalsContact O-N 3.11Å; M814-S816 PolarHBondContact O-N 3.3Å | ||
| 815 | P | 28.1 | Very low | 39.7 | Very low | 77 Ų | 77 | 88 Ų | 88 | 50% | 0.5 | 49% | 0.493 | S | S | . | . | trans | -65.9 | 105.7 | -174.6 | 24.2 | -32.4 | 0 | 0 | 0 | 111.7 | T817 L825 | P815-T817 PolarHBondContact O-N 3Å; P815-L825 HydrophobicContact CB-CD2 3.92Å; P815-L825 HydrophobicContact CG-CD2 4.25Å | ||
| 816 | S | 27.4 | Very low | 37.5 | Very low | 80 Ų | 80 | 94.7 Ų | 94.7 | 56% | 0.559 | 53% | 0.529 | S | S | * | . | trans | -85.3 | 15.4 | 176.7 | 55.8 | 0 | 0 | 0 | 0 | 113.8 | M814 | M814-S816 PolarHBondContact O-N 3.3Š| ||
| 817 | T | 24.8 | Very low | 35.9 | Very low | 90 Ų | 90 | 98.5 Ų | 98.5 | 55% | 0.552 | 55% | 0.545 | S | S | * | . | trans | -128.6 | 116.9 | -173.7 | 56.8 | 0 | 0 | 0 | 0 | 113 | P815 I819 | P815-T817 PolarHBondContact O-N 3Å; T817-I819 VanDerWaalsContact C-N 3.26Å; T817-I819 HydrophobicContact CG2-CD1 4.22Å; T817-I819 PolarHBondContact O-N 2.76Å | ||
| 818 | V | 28.9 | Very low | 34.8 | Very low | 160 Ų | 160 | 100.4 Ų | 100.4 | 97% | 0.97 | 56% | 0.561 | S | S | * | * | trans | -72.6 | 81.7 | 164 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 819 | I | 31 | Very low | 33.8 | Very low | 118 Ų | 118 | 101.4 Ų | 101.4 | 61% | 0.605 | 57% | 0.571 | S | S | * | * | trans | -139.1 | 117 | 179.9 | -62.9 | 177.4 | 0 | 0 | 0 | 110.2 | T817 | T817-I819 VanDerWaalsContact C-N 3.26Å; T817-I819 HydrophobicContact CG2-CD1 4.22Å; T817-I819 PolarHBondContact O-N 2.76Å | ||
| 820 | N | 31.1 | Very low | 33.4 | Very low | 139 Ų | 139 | 102 Ų | 102 | 74% | 0.743 | 57% | 0.572 | S | S | * | * | trans | 32.1 | 117.8 | 158.2 | -63.5 | -23.6 | 0 | 0 | 0 | 118.6 | N822 | N820-N822 PolarHBondContact O-N 3.18Š| ||
| 821 | D | 30.8 | Very low | 33.3 | Very low | 160 Ų | 160 | 101.6 Ų | 101.6 | 86% | 0.856 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | 12 | -178.4 | -60.8 | -65.3 | 0 | 0 | 0 | 118.5 | ||
| 822 | N | 28.8 | Very low | 33.8 | Very low | 132 Ų | 132 | 101.7 Ų | 101.7 | 71% | 0.706 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | 18.4 | -167.9 | -72.5 | -50 | 0 | 0 | 0 | 115.7 | N820 | N820-N822 PolarHBondContact O-N 3.18Š|
| 823 | Q | 24.8 | Very low | 34.6 | Very low | 170 Ų | 170 | 98.4 Ų | 98.4 | 79% | 0.794 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -118.9 | 115.4 | 164.6 | -81.9 | -170.7 | -21.7 | 0 | 0 | 111.6 | L825 | Q823-L825 PolarHBondContact O-N 3.11Š|
| 824 | P | 25.8 | Very low | 35.8 | Very low | 119 Ų | 119 | 95.9 Ų | 95.9 | 77% | 0.773 | 54% | 0.537 | S | S | * | . | trans | -72.1 | 125.2 | -178.7 | 28.2 | -33.4 | 0 | 0 | 0 | 111.3 | N826 | P824-N826 PolarHBondContact O-N 2.7Š| ||
| 825 | L | 27.2 | Very low | 37.3 | Very low | 106 Ų | 106 | 90.4 Ų | 90.4 | 56% | 0.555 | 51% | 0.51 | S | S | * | . | trans | -71.5 | 110.7 | 175.7 | -80 | 96.5 | 0 | 0 | 0 | 111.4 | P815 Q823 H827 | P815-L825 HydrophobicContact CB-CD2 3.92Å; P815-L825 HydrophobicContact CG-CD2 4.25Å; Q823-L825 PolarHBondContact O-N 3.11Å; L825-H827 PolarHBondContact O-N 3.4Å | ||
| 826 | N | 27.3 | Very low | 38.7 | Very low | 146 Ų | 146 | 88 Ų | 88 | 78% | 0.781 | 49% | 0.493 | S | S | * | . | trans | -78.8 | 93.2 | 167.7 | -83.1 | -30.6 | 0 | 0 | 0 | 110.3 | P824 | P824-N826 PolarHBondContact O-N 2.7Š| ||
| 827 | H | 36.1 | Very low | 40.1 | Very low | 91 Ų | 91 | 85.3 Ų | 85.3 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -86.7 | 130.9 | 152.6 | -69.9 | -64 | 0 | 0 | 0 | 109 | L825 | L825-H827 PolarHBondContact O-N 3.4Š|
| 828 | S | 36.5 | Very low | 41.8 | Very low | 72 Ų | 72 | 82 Ų | 82 | 50% | 0.503 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 125.6 | 171 | -59.3 | 0 | 0 | 0 | 0 | 109.4 | I830 | S828-I830 PolarHBondContact O-N 3.39Š|
| 829 | P | 42 | Very low | 43.2 | Very low | 75 Ų | 75 | 81.4 Ų | 81.4 | 49% | 0.487 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 135.8 | 175.6 | 27.2 | -33.5 | 0 | 0 | 0 | 109.7 | S831 L950 | P829-S831 PolarHBondContact O-N 3.37Å; P829-S831 PolarHBondContact O-OG 3.21Å; P829-L950 WeakPolarHBondContact CB-O 3.5Å |
| 830 | I | 46.1 | Very low | 44.4 | Very low | 34 Ų | 34 | 77.6 Ų | 77.6 | 17% | 0.174 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 117 | 171.6 | -60.7 | 174 | 0 | 0 | 0 | 107.1 | S806 I808 S828 L832 L949 C951 | S806-I830 WeakPolarHBondContact OG-CG2 2.98Å; I808-I830 HydrophobicContact CG1-CG2 4.23Å; S828-I830 PolarHBondContact O-N 3.39Å; I830-L832 HydrophobicContact CG2-CD2 4.44Å; I830-L832 HydrophobicContact CG2-CG 4.25Å; I830-L832 PolarHBondContact O-N 3.16Å; I830-L949 HydrophobicContact CD1-CD2 3.97Å; I830-C951 PolarHBondContact O-SG 2.81Å; I830-C951 VanDerWaalsContact O-SG 3.37Å |
| 831 | S | 51 | Low | 45.7 | Very low | 29 Ų | 29 | 73.6 Ų | 73.6 | 20% | 0.203 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 101.7 | -178.8 | -71.7 | 0 | 0 | 0 | 0 | 108.4 | L807 P829 | L807-S831 PolarHBondContact N-O 3.37Å; P829-S831 PolarHBondContact O-N 3.37Å; P829-S831 PolarHBondContact O-OG 3.21Å |
| 832 | L | 54.2 | Low | 47 | Very low | 42 Ų | 42 | 66.2 Ų | 66.2 | 22% | 0.22 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 132.1 | 173.3 | -72.3 | 178.4 | 0 | 0 | 0 | 110.6 | I804 W805 S806 I830 C951 V953 | I804-L832 HydrophobicContact CG2-CD2 4.01Å; W805-L832 WeakPolarHBondContact O-CA 3.41Å; S806-L832 VanDerWaalsContact CB-CD2 3.44Å; S806-L832 WeakPolarHBondContact OG-CD2 3.16Å; I830-L832 HydrophobicContact CG2-CD2 4.44Å; I830-L832 HydrophobicContact CG2-CG 4.25Å; I830-L832 PolarHBondContact O-N 3.16Å; L832-C951 WeakPolarHBondContact CD1-SG 3.36Å; L832-V953 HydrophobicContact CB-CG1 4.45Å; L832-V953 HydrophobicContact CD1-CG2 3.93Å |
| 833 | I | 58.3 | Low | 48.3 | Very low | 18 Ų | 18 | 60.6 Ų | 60.6 | 9% | 0.092 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 113.7 | 170.9 | -65.6 | 167.7 | 0 | 0 | 0 | 106.7 | P727 F732 I804 W805 | P727-I833 HydrophobicContact CB-CG1 4.44Å; P727-I833 HydrophobicContact CB-CG2 3.77Å; P727-I833 HydrophobicContact CG-CG2 4.3Å; F732-I833 HydrophobicContact CB-CD1 3.86Å; F732-I833 HydrophobicContact CD2-CD1 3.99Å; F732-I833 HydrophobicContact CG-CD1 4.36Å; I804-I833 WeakPolarHBondContact CA-O 3.46Å; W805-I833 HydrophobicContact CB-CB 4.38Å; W805-I833 PolarHBondContact N-O 3.01Å; W805-I833 PolarHBondContact O-N 2.96Å |
| 834 | I | 58 | Low | 49.7 | Very low | 28 Ų | 28 | 54.8 Ų | 54.8 | 14% | 0.144 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 117.1 | 173.1 | -56.9 | -173.8 | 0 | 0 | 0 | 108.5 | L802 I804 I836 V953 G954 F955 S956 | L802-I834 HydrophobicContact CD1-CG2 3.69Å; I804-I834 HydrophobicContact CD1-CD1 4.35Å; I804-I834 HydrophobicContact CD1-CG1 4.46Å; I804-I834 HydrophobicContact CG1-CD1 4.47Å; I804-I834 HydrophobicContact CG1-CG1 4.07Å; I804-I834 HydrophobicContact CG1-CG2 4.34Å; I804-I834 HydrophobicContact CG2-CG1 4.11Å; I834-I836 HydrophobicContact CG2-CD1 4.43Å; I834-I836 HydrophobicContact CG2-CG1 3.98Å; I834-V953 HydrophobicContact CD1-CG1 3.36Å; I834-V953 HydrophobicContact CG1-CG1 3.89Å; I834-G954 PolarHBondContact N-O 3.46Å; I834-F955 HydrophobicContact CB-CB 3.66Å; I834-F955 HydrophobicContact CD1-CB 4.48Å; I834-F955 HydrophobicContact CG1-CB 4.49Å; I834-F955 HydrophobicContact CG2-CB 3.95Å; I834-F955 WeakPolarHBondContact O-CA 3.41Å; I834-S956 PolarHBondContact O-N 3.47Å; I834-S956 VanDerWaalsContact O-N 3.07Å |
| 835 | D | 64.2 | Low | 50.6 | Low | 12 Ų | 12 | 51.3 Ų | 51.3 | 6% | 0.064 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 104.3 | -179.8 | 179.7 | 12 | 0 | 0 | 0 | 107.9 | T803 N838 | T803-D835 PolarHBondContact N-O 2.95Å; T803-D835 PolarHBondContact O-N 3.31Å; T803-D835 VanDerWaalsContact O-O 3.14Å; D835-N838 VanDerWaalsContact OD2-CB 3.28Å; D835-N838 WeakPolarHBondContact OD2-CB 3.49Å; D835-N838 PolarHBondContact OD2-ND2 3.08Å |
| 836 | I | 58.3 | Low | 51.5 | Low | 28 Ų | 28 | 53.4 Ų | 53.4 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 140.9 | 175.4 | -45.2 | -167.6 | 0 | 0 | 0 | 107.2 | L800 L802 I834 I862 S956 T957 | L800-I836 HydrophobicContact CD1-CG2 3.77Å; L802-I836 HydrophobicContact CD1-CD1 4.46Å; L802-I836 HydrophobicContact CD1-CG1 4.06Å; I834-I836 HydrophobicContact CG2-CD1 4.43Å; I834-I836 HydrophobicContact CG2-CG1 3.98Å; I836-I862 HydrophobicContact CG2-CD1 3.86Å; I836-S956 PolarHBondContact N-O 3.38Å; I836-T957 HydrophobicContact CB-CG2 3.95Å; I836-T957 HydrophobicContact CD1-CG2 3.78Å; I836-T957 HydrophobicContact CG1-CG2 4.05Å |
| 837 | D | 57.2 | Low | 52.3 | Low | 22 Ų | 22 | 48.7 Ų | 48.7 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 91.4 | -5.1 | -177.1 | -51.4 | -46.9 | 0 | 0 | 0 | 116.8 | P801 K839 L958 R959 | P801-D837 PolarHBondContact O-N 2.82Å; P801-D837 VanDerWaalsContact O-N 3.16Å; D837-K839 PolarHBondContact O-N 2.81Å; D837-L958 PolarHBondContact OD2-N 3.23Å; D837-R959 VanDerWaalsContact OD1-CD 3.25Å; D837-R959 WeakPolarHBondContact OD1-CD 3.45Å; D837-R959 IonicContact OD1-CZ 3.4Å; D837-R959 IonicContact OD1-NE 3.27Å; D837-R959 IonicContact OD1-NH1 2.7Å; D837-R959 PolarHBondContact OD1-NH1 2.82Å; D837-R959 WeakPolarHBondContact OD2-CD 3.42Å; D837-R959 WeakPolarHBondContact OD2-CG 3.47Å; D837-R959 PolarHBondContact OD2-N 3.44Å |
| 838 | N | 60.1 | Low | 52.4 | Low | 22 Ų | 22 | 47.4 Ų | 47.4 | 12% | 0.118 | 26% | 0.262 | C | S | . | . | trans | -75.5 | 96 | 179.7 | -163.5 | -13.8 | 0 | 0 | 0 | 113.2 | D835 L840 | D835-N838 VanDerWaalsContact OD2-CB 3.28Å; D835-N838 WeakPolarHBondContact OD2-CB 3.49Å; D835-N838 PolarHBondContact OD2-ND2 3.08Å; N838-L840 VanDerWaalsContact C-N 3.27Å; N838-L840 PolarHBondContact O-N 2.8Å; N838-L840 WeakPolarHBondContact OD1-CB 3.43Å; N838-L840 PolarHBondContact OD1-N 3.06Å; N838-L840 VanDerWaalsContact OD1-N 3.14Å | ||
| 839 | K | 58.1 | Low | 52.3 | Low | 146 Ų | 146 | 47.4 Ų | 47.4 | 64% | 0.635 | 26% | 0.261 | S | S | * | . | trans | -73.5 | -7.6 | 176.5 | -68.4 | -177.3 | 178 | 178.1 | 0 | 114.7 | P801 D837 I841 | P801-K839 HydrophobicContact CG-CG 4Å; D837-K839 PolarHBondContact O-N 2.81Å; K839-I841 PolarHBondContact O-N 2.68Å | ||
| 840 | L | 55.9 | Low | 51.9 | Low | 39 Ų | 39 | 49.4 Ų | 49.4 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -78.2 | 107.2 | 176.9 | -67.7 | 166.2 | 0 | 0 | 0 | 108.8 | L696 N838 P842 I853 | L696-L840 HydrophobicContact CD2-CB 4.29Å; L696-L840 HydrophobicContact CD2-CD1 3.92Å; N838-L840 VanDerWaalsContact C-N 3.27Å; N838-L840 PolarHBondContact O-N 2.8Å; N838-L840 WeakPolarHBondContact OD1-CB 3.43Å; N838-L840 PolarHBondContact OD1-N 3.06Å; N838-L840 VanDerWaalsContact OD1-N 3.14Å; L840-P842 WeakPolarHBondContact O-CD 3.16Å; L840-I853 HydrophobicContact CD1-CD1 4.49Å; L840-I853 HydrophobicContact CG-CD1 4.44Å |
| 841 | I | 58.3 | Low | 51.2 | Low | 55 Ų | 55 | 55.5 Ų | 55.5 | 28% | 0.282 | 31% | 0.305 | S | S | . | . | trans | -55.3 | 111.1 | 167 | -57.7 | 174.6 | 0 | 0 | 0 | 106.9 | I677 K839 M843 D844 S847 | I677-I841 HydrophobicContact CD1-CG2 4.24Å; K839-I841 PolarHBondContact O-N 2.68Å; I841-M843 PolarHBondContact O-N 3.29Å; I841-D844 HydrophobicContact CB-CB 4.27Å; I841-D844 HydrophobicContact CG2-CB 4.03Å; I841-D844 PolarHBondContact O-N 3.23Å; I841-S847 PolarHBondContact O-OG 3.06Å | ||
| 842 | P | 58.4 | Low | 50.1 | Low | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 136.1 | -173.5 | -15.5 | 29.2 | 0 | 0 | 0 | 108.5 | Q679 L696 H757 T803 W805 L840 D844 | Q679-P842 PolarHBondContact NE2-O 3.37Å; L696-P842 HydrophobicContact CD1-CB 4.3Å; H757-P842 HydrophobicContact CB-CG 4.41Å; T803-P842 HydrophobicContact CG2-CG 4.31Å; W805-P842 HydrophobicContact CH2-CB 3.5Å; W805-P842 VanDerWaalsContact CH2-CB 3.5Å; W805-P842 HydrophobicContact CH2-CG 3.92Å; W805-P842 HydrophobicContact CZ2-CB 3.74Å; W805-P842 HydrophobicContact CZ2-CG 3.7Å; L840-P842 WeakPolarHBondContact O-CD 3.16Å; P842-D844 VanDerWaalsContact C-N 3.31Å; P842-D844 PolarHBondContact O-N 3.33Å |
| 843 | M | 55.5 | Low | 49.2 | Very low | 15 Ų | 15 | 65 Ų | 65 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 7.4 | 175.2 | -54.6 | -82 | -67.1 | 0 | 0 | 116.7 | L681 V689 I841 S845 | L681-M843 HydrophobicContact CD1-CE 3.64Å; L681-M843 HydrophobicContact CD1-SD 4.27Å; L681-M843 HydrophobicContact CD2-CE 4.14Å; V689-M843 HydrophobicContact CB-CE 3.95Å; V689-M843 HydrophobicContact CB-SD 4.23Å; V689-M843 HydrophobicContact CG1-CE 3.46Å; V689-M843 VanDerWaalsContact CG1-CE 3.46Å; V689-M843 HydrophobicContact CG1-SD 3.54Å; V689-M843 VanDerWaalsContact CG1-SD 3.54Å; V689-M843 HydrophobicContact CG2-CE 3.31Å; V689-M843 HydrophobicContact CG2-SD 4.11Å; I841-M843 PolarHBondContact O-N 3.29Å; M843-S845 PolarHBondContact O-N 3.1Å |
| 844 | D | 55.4 | Low | 48 | Very low | 47 Ų | 47 | 69.6 Ų | 69.6 | 25% | 0.251 | 37% | 0.374 | S | S | . | . | trans | -77.5 | 119.4 | 169.3 | -170 | -8.6 | 0 | 0 | 0 | 111.1 | I841 P842 K846 S847 | I841-D844 HydrophobicContact CB-CB 4.27Å; I841-D844 HydrophobicContact CG2-CB 4.03Å; I841-D844 PolarHBondContact O-N 3.23Å; P842-D844 VanDerWaalsContact C-N 3.31Å; P842-D844 PolarHBondContact O-N 3.33Å; D844-K846 PolarHBondContact O-N 3.47Å; D844-K846 PolarHBondContact OD1-N 2.96Å; D844-S847 PolarHBondContact O-N 3.36Å; D844-S847 PolarHBondContact O-OG 2.88Å | ||
| 845 | S | 45.3 | Very low | 47.1 | Very low | 47 Ų | 47 | 72.7 Ų | 72.7 | 33% | 0.329 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.8 | -30.3 | 172.4 | 61.7 | 0 | 0 | 0 | 0 | 114.5 | M843 S848 | M843-S845 PolarHBondContact O-N 3.1Å; S845-S848 PolarHBondContact O-OG 2.86Å; S845-S848 VanDerWaalsContact O-OG 3.05Å |
| 846 | K | 46.1 | Very low | 46 | Very low | 149 Ų | 149 | 77.3 Ų | 77.3 | 65% | 0.648 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -27 | -179.5 | -65.8 | 176.7 | -178.3 | 172.4 | 0 | 113.1 | D844 S848 | D844-K846 PolarHBondContact O-N 3.47Å; D844-K846 PolarHBondContact OD1-N 2.96Å; K846-S848 PolarHBondContact O-N 3.46Å |
| 847 | S | 43.9 | Very low | 45.2 | Very low | 47 Ų | 47 | 80.6 Ų | 80.6 | 33% | 0.329 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -10.9 | 178.3 | 73.5 | 0 | 0 | 0 | 0 | 112.6 | I841 D844 S849 | I841-S847 PolarHBondContact O-OG 3.06Å; D844-S847 PolarHBondContact O-N 3.36Å; D844-S847 PolarHBondContact O-OG 2.88Å; S847-S849 PolarHBondContact O-N 2.8Å |
| 848 | S | 36.9 | Very low | 44.8 | Very low | 65 Ų | 65 | 83 Ų | 83 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -5.3 | 177.4 | 81.3 | 0 | 0 | 0 | 0 | 114.6 | S845 K846 S850 | S845-S848 PolarHBondContact O-OG 2.86Å; S845-S848 VanDerWaalsContact O-OG 3.05Å; K846-S848 PolarHBondContact O-N 3.46Å; S848-S850 PolarHBondContact O-N 3.02Å |
| 849 | S | 34.8 | Very low | 44.3 | Very low | 71 Ų | 71 | 89.4 Ų | 89.4 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -63.4 | 128.4 | 169.5 | 74.3 | 0 | 0 | 0 | 0 | 109.2 | S847 H851 | S847-S849 PolarHBondContact O-N 2.8Å; S849-H851 PolarHBondContact O-N 2.88Å |
| 850 | S | 33.2 | Very low | 44.4 | Very low | 117 Ų | 117 | 89.6 Ų | 89.6 | 82% | 0.818 | 48% | 0.482 | S | S | * | . | trans | -75.8 | 54.3 | -179 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | S848 M852 | S848-S850 PolarHBondContact O-N 3.02Å; S850-M852 PolarHBondContact O-N 2.85Å | ||
| 851 | H | 31.2 | Very low | 44.8 | Very low | 163 Ų | 163 | 89 Ų | 89 | 76% | 0.755 | 48% | 0.481 | S | S | * | . | trans | -59.3 | 97.8 | 154.5 | -97.1 | -74.5 | 0 | 0 | 0 | 106.2 | S849 I853 | S849-H851 PolarHBondContact O-N 2.88Å; H851-I853 PolarHBondContact O-N 3.5Å | ||
| 852 | M | 27.9 | Very low | 45.2 | Very low | 160 Ų | 160 | 87 Ų | 87 | 79% | 0.788 | 47% | 0.47 | S | S | * | . | trans | -50 | 112.4 | 162.9 | -67.3 | -173 | 68.6 | 0 | 0 | 105.8 | S850 N854 | S850-M852 PolarHBondContact O-N 2.85Å; M852-N854 PolarHBondContact O-N 3.36Å | ||
| 853 | I | 35.8 | Very low | 45.6 | Very low | 109 Ų | 109 | 89.1 Ų | 89.1 | 56% | 0.559 | 48% | 0.479 | S | S | * | . | trans | -65.2 | 94.3 | 168.5 | -59.4 | 174.3 | 0 | 0 | 0 | 103.5 | L840 H851 Q855 | L840-I853 HydrophobicContact CD1-CD1 4.49Å; L840-I853 HydrophobicContact CG-CD1 4.44Å; H851-I853 PolarHBondContact O-N 3.5Å; I853-Q855 HydrophobicContact CG2-CG 4.24Å; I853-Q855 PolarHBondContact O-N 2.89Å | ||
| 854 | N | 34 | Very low | 46.4 | Very low | 115 Ų | 115 | 91.4 Ų | 91.4 | 62% | 0.615 | 49% | 0.489 | S | S | * | . | trans | -63.3 | 95.6 | 170.5 | -92.2 | -18.2 | 0 | 0 | 0 | 105.7 | M852 S856 V857 | M852-N854 PolarHBondContact O-N 3.36Å; N854-S856 PolarHBondContact O-N 2.75Å; N854-V857 PolarHBondContact O-N 3.24Å | ||
| 855 | Q | 38.8 | Very low | 47.4 | Very low | 93 Ų | 93 | 90.4 Ų | 90.4 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 11.4 | -172.5 | -80.5 | 163.4 | -59.3 | 0 | 0 | 114.2 | I853 | I853-Q855 HydrophobicContact CG2-CG 4.24Å; I853-Q855 PolarHBondContact O-N 2.89Å |
| 856 | S | 40.6 | Very low | 48.8 | Very low | 110 Ų | 110 | 89 Ų | 89 | 77% | 0.769 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 3.5 | 175.9 | 67.1 | 0 | 0 | 0 | 0 | 114 | N854 | N854-S856 PolarHBondContact O-N 2.75Š|
| 857 | V | 40.9 | Very low | 49.8 | Very low | 96 Ų | 96 | 82.2 Ų | 82.2 | 58% | 0.582 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -110 | 110 | -177.8 | -173.9 | 0 | 0 | 0 | 0 | 109.7 | N854 | N854-V857 PolarHBondContact O-N 3.24Š|
| 858 | D | 48.6 | Very low | 50.8 | Low | 74 Ų | 74 | 80.9 Ų | 80.9 | 40% | 0.396 | 44% | 0.437 | S | S | . | . | trans | 70.3 | 58.6 | 163.2 | -52.1 | -15.8 | 0 | 0 | 0 | 117.3 | Y860 R959 | D858-Y860 HydrophobicContact CB-CD2 3.66Å; D858-Y860 HydrophobicContact CB-CE2 3.84Å; D858-Y860 PolarHBondContact O-N 3.06Å; D858-Y860 WeakPolarHBondContact OD1-CE2 3.38Å; D858-R959 PolarHBondContact O-NE 2.94Å; D858-R959 PolarHBondContact O-NH2 3.43Å | ||
| 859 | Q | 51.6 | Low | 51.4 | Low | 156 Ų | 156 | 80 Ų | 80 | 73% | 0.729 | 43% | 0.429 | S | S | * | . | trans | -71.6 | 39.4 | 154.8 | -69.5 | -175.2 | -15.7 | 0 | 0 | 112.3 | ||||
| 860 | Y | 58.9 | Low | 52.2 | Low | 150 Ų | 150 | 79 Ų | 79 | 59% | 0.588 | 42% | 0.418 | S | S | * | . | trans | -64.5 | 143.4 | 170 | -67 | -60.9 | 0 | 0 | 0 | 109.7 | D858 R959 | D858-Y860 HydrophobicContact CB-CD2 3.66Å; D858-Y860 HydrophobicContact CB-CE2 3.84Å; D858-Y860 PolarHBondContact O-N 3.06Å; D858-Y860 WeakPolarHBondContact OD1-CE2 3.38Å; Y860-R959 WeakPolarHBondContact O-CB 3.12Å; Y860-R959 WeakPolarHBondContact O-CD 3.41Å; Y860-R959 WeakPolarHBondContact O-CG 3.24Å; Y860-R959 PolarHBondContact O-NE 2.94Å | ||
| 861 | P | 64.4 | Low | 52.7 | Low | 27 Ų | 27 | 81.1 Ų | 81.1 | 18% | 0.175 | 42% | 0.415 | C | S | . | . | trans | -60.8 | 157.4 | 171.6 | 26.9 | -35.1 | 0 | 0 | 0 | 111.6 | K863 S960 E962 | P861-K863 PolarHBondContact O-N 2.81Å; P861-K863 VanDerWaalsContact O-N 3.16Å; P861-S960 CarbonylContact C-O 3.57Å; P861-S960 WeakPolarHBondContact CA-O 3.43Å; P861-S960 WeakPolarHBondContact CB-O 3.38Å; P861-E962 HydrophobicContact CB-CB 3.53Å; P861-E962 HydrophobicContact CG-CB 3.49Å; P861-E962 VanDerWaalsContact CG-CB 3.49Å; P861-E962 HydrophobicContact CG-CG 4.24Å; P861-E962 WeakPolarHBondContact CG-OE2 3.49Å | ||
| 862 | I | 67.2 | Low | 53.1 | Low | 11 Ų | 11 | 76.9 Ų | 76.9 | 6% | 0.056 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 108.2 | 163.9 | -63 | 167.8 | 0 | 0 | 0 | 107.1 | L800 I836 F864 T957 R959 S960 I961 E962 | L800-I862 HydrophobicContact CD2-CG1 4.29Å; L800-I862 HydrophobicContact CD2-CG2 3.6Å; I836-I862 HydrophobicContact CG2-CD1 3.86Å; I862-F864 HydrophobicContact CG2-CD2 4.29Å; I862-F864 HydrophobicContact CG2-CE2 3.75Å; I862-F864 HydrophobicContact CG2-CZ 4.5Å; I862-T957 HydrophobicContact CD1-CG2 3.84Å; I862-R959 HydrophobicContact CG1-CB 4.25Å; I862-S960 PolarHBondContact N-O 3.42Å; I862-I961 HydrophobicContact CB-CG1 4.37Å; I862-E962 PolarHBondContact O-N 3.37Å |
| 863 | K | 67.5 | Low | 53.5 | Low | 49 Ų | 49 | 74 Ų | 74 | 21% | 0.213 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.8 | -178.7 | -73.6 | 178.7 | 168.6 | -68.8 | 0 | 111.7 | E798 P861 E962 D964 | E798-K863 HydrophobicContact CG-CB 4.33Å; P861-K863 PolarHBondContact O-N 2.81Å; P861-K863 VanDerWaalsContact O-N 3.16Å; K863-E962 WeakPolarHBondContact CE-OE2 3.31Å; K863-E962 IonicContact NZ-OE2 3.98Å; K863-E962 PolarHBondContact NZ-OE2 2.85Å; K863-D964 IonicContact NZ-OD1 2.74Å; K863-D964 IonicContact NZ-OD2 3.35Å; K863-D964 PolarHBondContact NZ-OD2 3.41Å |
| 864 | F | 72.5 | Confident | 53.5 | Low | 63 Ų | 63 | 72.2 Ų | 72.2 | 28% | 0.276 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 113.9 | 162.3 | -71.8 | -98.6 | 0 | 0 | 0 | 108.4 | L796 I797 I862 I961 E962 L963 D964 | L796-F864 CarbonylContact O-C 3.6Å; L796-F864 VanDerWaalsContact O-CA 3.22Å; L796-F864 WeakPolarHBondContact O-CA 3.46Å; I797-F864 HydrophobicContact CD1-CD1 4.25Å; I797-F864 HydrophobicContact CD1-CE1 3.58Å; I797-F864 HydrophobicContact CD1-CZ 4.2Å; I797-F864 HydrophobicContact CG1-CD1 3.86Å; I797-F864 HydrophobicContact CG1-CE1 3.69Å; I797-F864 HydrophobicContact CG1-CZ 4.47Å; I862-F864 HydrophobicContact CG2-CD2 4.29Å; I862-F864 HydrophobicContact CG2-CE2 3.75Å; I862-F864 HydrophobicContact CG2-CZ 4.5Å; F864-I961 HydrophobicContact CD2-CG2 3.58Å; F864-I961 HydrophobicContact CE2-CG2 3.61Å; F864-E962 PolarHBondContact N-O 2.9Å; F864-L963 HydrophobicContact CB-CD1 3.73Å; F864-L963 CarbonylContact O-C 3.59Å; F864-L963 WeakPolarHBondContact O-CA 3.42Å; F864-D964 PolarHBondContact O-N 3.21Å |
| 865 | S | 76 | Confident | 53.4 | Low | 26 Ų | 26 | 69.5 Ų | 69.5 | 18% | 0.182 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 131.2 | -179.8 | 48.8 | 0 | 0 | 0 | 0 | 111.4 | S795 L796 D964 | S795-S865 VanDerWaalsContact C-OG 3.28Å; S795-S865 VanDerWaalsContact O-O 3.07Å; S795-S865 PolarHBondContact O-OG 3Å; L796-S865 WeakPolarHBondContact CA-O 3.09Å; L796-S865 PolarHBondContact O-N 2.86Å; S865-D964 WeakPolarHBondContact CA-O 3.22Å |
| 866 | L | 73.8 | Confident | 53.2 | Low | 18 Ų | 18 | 72.3 Ų | 72.3 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 159.6 | 168.1 | -62.8 | 172.5 | 0 | 0 | 0 | 110.2 | F765 L796 T898 Q901 I902 L905 L963 D964 V965 | F765-L866 HydrophobicContact CE2-CD2 4.21Å; F765-L866 HydrophobicContact CZ-CD2 4.32Å; L796-L866 HydrophobicContact CD1-CD2 3.75Å; L866-T898 HydrophobicContact CB-CG2 3.69Å; L866-T898 HydrophobicContact CD1-CG2 4.16Å; L866-Q901 HydrophobicContact CD2-CB 4.31Å; L866-I902 HydrophobicContact CD1-CD1 4.23Å; L866-I902 HydrophobicContact CD1-CG1 4.07Å; L866-L905 HydrophobicContact CD2-CD1 4.1Å; L866-L963 HydrophobicContact CD1-CD1 4.18Å; L866-L963 HydrophobicContact CG-CD1 4.44Å; L866-D964 PolarHBondContact N-O 3.18Å; L866-V965 HydrophobicContact CB-CG2 4.35Å; L866-V965 HydrophobicContact CD1-CG2 4.21Å |
| 867 | G | 67.5 | Low | 53.3 | Low | 6 Ų | 6 | 72.1 Ų | 72.1 | 6% | 0.062 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | -169.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | D897 T898 | G867-D897 WeakPolarHBondContact CA-O 3.21Å; G867-T898 VanDerWaalsContact C-OG1 3.23Å; G867-T898 PolarHBondContact O-OG1 3.13Å |
| 868 | S | 64.9 | Low | 53.1 | Low | 20 Ų | 20 | 70.5 Ų | 70.5 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 135.3 | -178.1 | -176.7 | 0 | 0 | 0 | 0 | 114.1 | D870 P896 D897 T898 N966 C968 | S868-D870 VanDerWaalsContact C-N 3.32Å; S868-D870 WeakPolarHBondContact CB-OD2 3.22Å; S868-D870 PolarHBondContact O-N 3.23Å; S868-D870 PolarHBondContact OG-N 2.76Å; S868-D870 PolarHBondContact OG-OD2 3.24Å; S868-P896 CarbonylContact O-C 2.85Å; S868-P896 VanDerWaalsContact O-CB 3.23Å; S868-P896 WeakPolarHBondContact O-CB 3.44Å; S868-D897 PolarHBondContact O-N 3.36Å; S868-D897 VanDerWaalsContact O-N 3.09Å; S868-T898 PolarHBondContact O-N 3.26Å; S868-T898 VanDerWaalsContact O-N 3.13Å; S868-T898 PolarHBondContact O-OG1 2.96Å; S868-T898 VanDerWaalsContact O-OG1 3.14Å; S868-N966 CarbonylContact C-O 3.08Å; S868-N966 VanDerWaalsContact CA-O 3.23Å; S868-N966 WeakPolarHBondContact CA-O 2.94Å; S868-C968 VanDerWaalsContact OG-CB 3.27Å; S868-C968 WeakPolarHBondContact OG-CB 3.5Å; S868-C968 PolarHBondContact OG-SG 3.48Å |
| 869 | T | 50.4 | Low | 52.7 | Low | 47 Ų | 47 | 70.3 Ų | 70.3 | 29% | 0.288 | 34% | 0.344 | S | S | . | . | trans | -89.1 | 52.3 | 168.8 | 68.4 | 0 | 0 | 0 | 0 | 112.9 | T898 V965 N966 V967 | T869-T898 HydrophobicContact CG2-CG2 4.04Å; T869-T898 WeakPolarHBondContact CG2-OG1 3.44Å; T869-T898 PolarHBondContact N-OG1 2.97Å; T869-V965 HydrophobicContact CG2-CG1 3.83Å; T869-N966 PolarHBondContact N-O 3.49Å; T869-V967 WeakPolarHBondContact OG1-CA 3.3Å | ||
| 870 | D | 50.7 | Low | 52.2 | Low | 50 Ų | 50 | 66.7 Ų | 66.7 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 146.9 | 174.4 | -83.4 | -64.9 | 0 | 0 | 0 | 113.1 | S868 L872 P896 C968 H970 | S868-D870 VanDerWaalsContact C-N 3.32Å; S868-D870 WeakPolarHBondContact CB-OD2 3.22Å; S868-D870 PolarHBondContact O-N 3.23Å; S868-D870 PolarHBondContact OG-N 2.76Å; S868-D870 PolarHBondContact OG-OD2 3.24Å; D870-L872 PolarHBondContact O-N 2.66Å; D870-P896 VanDerWaalsContact O-CB 3.27Å; D870-P896 WeakPolarHBondContact O-CB 3.4Å; D870-P896 VanDerWaalsContact O-CG 3.28Å; D870-P896 WeakPolarHBondContact O-CG 3.17Å; D870-C968 VanDerWaalsContact OD1-CB 3.32Å; D870-C968 WeakPolarHBondContact OD1-CB 3.48Å; D870-C968 WeakPolarHBondContact OD2-CB 3.49Å; D870-H970 IonicContact OD1-CD2 3.05Å |
| 871 | Q | 43.8 | Very low | 51.2 | Low | 161 Ų | 161 | 67 Ų | 67 | 75% | 0.752 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 9.6 | 166.1 | -58.3 | -170.9 | 1.9 | 0 | 0 | 120.5 | ||
| 872 | L | 38.8 | Very low | 49.9 | Very low | 73 Ų | 73 | 68.1 Ų | 68.1 | 38% | 0.382 | 34% | 0.34 | S | S | . | . | trans | -107.5 | 53.1 | 171.6 | -73.5 | -178.4 | 0 | 0 | 0 | 114.6 | D870 L879 L882 P896 L899 | D870-L872 PolarHBondContact O-N 2.66Å; L872-L879 HydrophobicContact CD1-CD1 4.4Å; L872-L882 HydrophobicContact CD2-CD1 3.86Å; L872-P896 HydrophobicContact CD1-CG 3.96Å; L872-P896 HydrophobicContact CG-CG 4.17Å; L872-L899 HydrophobicContact CD1-CD2 3.38Å | ||
| 873 | H | 36.9 | Very low | 48.8 | Very low | 99 Ų | 99 | 72.1 Ų | 72.1 | 46% | 0.458 | 36% | 0.361 | S | S | . | . | trans | -89.6 | -31.3 | 157.6 | -118.6 | 71.1 | 0 | 0 | 0 | 113 | N875 H969 N973 E974 I975 | H873-N875 PolarHBondContact O-N 3.4Å; H873-H969 AromaticContact CE1-CE1 3.96Å; H873-N973 CarbonylContact C-O 3.59Å; H873-E974 CarbonylContact O-C 3.48Å; H873-I975 PolarHBondContact O-N 3.37Å | ||
| 874 | T | 34.8 | Very low | 47.3 | Very low | 72 Ų | 72 | 76.9 Ų | 76.9 | 44% | 0.442 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -77 | 106.8 | -179.9 | 27.6 | 0 | 0 | 0 | 0 | 112.8 | N973 E974 | T874-N973 VanDerWaalsContact CA-O 3.24Å; T874-N973 WeakPolarHBondContact CA-O 3.4Å; T874-N973 WeakPolarHBondContact CG2-O 3.45Å; T874-N973 PolarHBondContact N-O 3.26Å; T874-N973 VanDerWaalsContact N-O 3.11Å; T874-E974 WeakPolarHBondContact CA-O 3.15Å |
| 875 | N | 33.8 | Very low | 45.6 | Very low | 58 Ų | 58 | 76.3 Ų | 76.3 | 31% | 0.31 | 38% | 0.381 | S | S | . | . | trans | 61 | 100.1 | 166.7 | -73.9 | -74 | 0 | 0 | 0 | 118.5 | H873 I877 L878 E974 I975 | H873-N875 PolarHBondContact O-N 3.4Å; N875-I877 PolarHBondContact O-N 3.38Å; N875-L878 HydrophobicContact CB-CB 4.32Å; N875-L878 HydrophobicContact CB-CD1 4.29Å; N875-L878 HydrophobicContact CB-CG 4.11Å; N875-L878 WeakPolarHBondContact O-CA 3.19Å; N875-L878 WeakPolarHBondContact O-CB 3.48Å; N875-L878 PolarHBondContact O-N 3.13Å; N875-E974 PolarHBondContact N-O 3.37Å; N875-I975 WeakPolarHBondContact OD1-CD1 3.33Å | ||
| 876 | R | 34.4 | Very low | 43.8 | Very low | 152 Ų | 152 | 78 Ų | 78 | 57% | 0.574 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -29.9 | 161.6 | -75.6 | 179.2 | 169.7 | -173.8 | -6.1 | 114.7 | L878 L879 M977 | R876-L878 PolarHBondContact O-N 2.88Å; R876-L879 PolarHBondContact O-N 3.01Å; R876-L879 VanDerWaalsContact O-N 3.15Å; R876-M977 PolarHBondContact NH1-O 2.89Å |
| 877 | I | 42.4 | Very low | 42.1 | Very low | 107 Ų | 107 | 81.2 Ų | 81.2 | 55% | 0.549 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.3 | -29.5 | 177 | -60.6 | 171.8 | 0 | 0 | 0 | 110.7 | N875 L879 S880 | N875-I877 PolarHBondContact O-N 3.38Å; I877-L879 VanDerWaalsContact C-N 3.34Å; I877-L879 PolarHBondContact O-N 3.07Å; I877-S880 PolarHBondContact O-OG 3.06Å; I877-S880 VanDerWaalsContact O-OG 3.11Å |
| 878 | L | 35.3 | Very low | 40.6 | Very low | 62 Ų | 62 | 88.1 Ų | 88.1 | 33% | 0.325 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -75 | -13 | 175 | -74.4 | -179.9 | 0 | 0 | 0 | 113.9 | N875 R876 S880 R881 L882 | N875-L878 HydrophobicContact CB-CB 4.32Å; N875-L878 HydrophobicContact CB-CD1 4.29Å; N875-L878 HydrophobicContact CB-CG 4.11Å; N875-L878 WeakPolarHBondContact O-CA 3.19Å; N875-L878 WeakPolarHBondContact O-CB 3.48Å; N875-L878 PolarHBondContact O-N 3.13Å; R876-L878 PolarHBondContact O-N 2.88Å; L878-S880 PolarHBondContact O-N 3.03Å; L878-R881 HydrophobicContact CD2-CB 3.87Å; L878-R881 HydrophobicContact CD2-CG 4.48Å; L878-R881 CarbonylContact O-C 3.6Å; L878-R881 PolarHBondContact O-N 2.92Å; L878-L882 HydrophobicContact CB-CD1 4.29Å; L878-L882 HydrophobicContact CB-CG 4.47Å; L878-L882 WeakPolarHBondContact O-CA 3.34Å; L878-L882 WeakPolarHBondContact O-CB 3.15Å; L878-L882 VanDerWaalsContact O-CG 3.24Å; L878-L882 WeakPolarHBondContact O-CG 3.47Å; L878-L882 PolarHBondContact O-N 3.41Å |
| 879 | L | 40.1 | Very low | 39.2 | Very low | 70 Ų | 70 | 91.1 Ų | 91.1 | 37% | 0.366 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 175.4 | -171.4 | 67.2 | 0 | 0 | 0 | 111.5 | L872 R876 I877 R881 L882 I883 L899 | L872-L879 HydrophobicContact CD1-CD1 4.4Å; R876-L879 PolarHBondContact O-N 3.01Å; R876-L879 VanDerWaalsContact O-N 3.15Å; I877-L879 VanDerWaalsContact C-N 3.34Å; I877-L879 PolarHBondContact O-N 3.07Å; L879-R881 VanDerWaalsContact C-N 3.28Å; L879-R881 PolarHBondContact O-N 3.16Å; L879-L882 PolarHBondContact O-N 3.43Å; L879-I883 HydrophobicContact CG-CD1 4.31Å; L879-I883 WeakPolarHBondContact O-CG1 3.46Å; L879-I883 PolarHBondContact O-N 3.35Å; L879-I883 VanDerWaalsContact O-N 3.07Å; L879-L899 HydrophobicContact CD1-CD1 4.33Å; L879-L899 HydrophobicContact CD1-CD2 3.57Å |
| 880 | S | 43 | Very low | 38.6 | Very low | 80 Ų | 80 | 94 Ų | 94 | 56% | 0.559 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.7 | -28.5 | 175.2 | 71.7 | 0 | 0 | 0 | 0 | 112.8 | I877 L878 | I877-S880 PolarHBondContact O-OG 3.06Å; I877-S880 VanDerWaalsContact O-OG 3.11Å; L878-S880 PolarHBondContact O-N 3.03Å |
| 881 | R | 36 | Very low | 38.1 | Very low | 157 Ų | 157 | 98.5 Ų | 98.5 | 59% | 0.592 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -81.3 | -32.4 | 172.6 | -83 | -177.1 | 164.9 | -179 | -3.2 | 113 | L878 L879 K884 I885 | L878-R881 HydrophobicContact CD2-CB 3.87Å; L878-R881 HydrophobicContact CD2-CG 4.48Å; L878-R881 CarbonylContact O-C 3.6Å; L878-R881 PolarHBondContact O-N 2.92Å; L879-R881 VanDerWaalsContact C-N 3.28Å; L879-R881 PolarHBondContact O-N 3.16Å; R881-K884 CarbonylContact O-C 3.55Å; R881-K884 WeakPolarHBondContact O-CA 3.12Å; R881-K884 WeakPolarHBondContact O-CB 3.33Å; R881-K884 PolarHBondContact O-N 3.15Å; R881-K884 VanDerWaalsContact O-N 3.12Å; R881-I885 HydrophobicContact CB-CD1 4.03Å; R881-I885 WeakPolarHBondContact O-CA 3.44Å; R881-I885 WeakPolarHBondContact O-CB 3.32Å; R881-I885 WeakPolarHBondContact O-CD1 3.44Å; R881-I885 WeakPolarHBondContact O-CG1 3.38Å; R881-I885 PolarHBondContact O-N 3.22Å |
| 882 | L | 38.4 | Very low | 38 | Very low | 49 Ų | 49 | 96 Ų | 96 | 26% | 0.257 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.6 | -40 | 179.6 | -82.8 | 163.8 | 0 | 0 | 0 | 110.3 | L872 L878 L879 K884 I885 S886 | L872-L882 HydrophobicContact CD2-CD1 3.86Å; L878-L882 HydrophobicContact CB-CD1 4.29Å; L878-L882 HydrophobicContact CB-CG 4.47Å; L878-L882 WeakPolarHBondContact O-CA 3.34Å; L878-L882 WeakPolarHBondContact O-CB 3.15Å; L878-L882 VanDerWaalsContact O-CG 3.24Å; L878-L882 WeakPolarHBondContact O-CG 3.47Å; L878-L882 PolarHBondContact O-N 3.41Å; L879-L882 PolarHBondContact O-N 3.43Å; L882-K884 PolarHBondContact O-N 2.97Å; L882-I885 PolarHBondContact O-N 2.89Å; L882-I885 VanDerWaalsContact O-N 3.17Å; L882-S886 WeakPolarHBondContact O-CB 3.35Å; L882-S886 PolarHBondContact O-N 3.35Å; L882-S886 PolarHBondContact O-OG 2.86Å |
| 883 | I | 42.9 | Very low | 38.3 | Very low | 96 Ų | 96 | 97 Ų | 97 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.1 | -29.9 | 169.4 | -64.4 | 167 | 0 | 0 | 0 | 111 | L879 T887 | L879-I883 HydrophobicContact CG-CD1 4.31Å; L879-I883 WeakPolarHBondContact O-CG1 3.46Å; L879-I883 PolarHBondContact O-N 3.35Å; L879-I883 VanDerWaalsContact O-N 3.07Å; I883-T887 PolarHBondContact O-OG1 3.33Å |
| 884 | K | 37.3 | Very low | 39 | Very low | 148 Ų | 148 | 98.8 Ų | 98.8 | 64% | 0.643 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -82.5 | -29.6 | 171.4 | -90.9 | -178.1 | 170.1 | -178.6 | 0 | 114.4 | R881 L882 T887 M888 | R881-K884 CarbonylContact O-C 3.55Å; R881-K884 WeakPolarHBondContact O-CA 3.12Å; R881-K884 WeakPolarHBondContact O-CB 3.33Å; R881-K884 PolarHBondContact O-N 3.15Å; R881-K884 VanDerWaalsContact O-N 3.12Å; L882-K884 PolarHBondContact O-N 2.97Å; K884-T887 VanDerWaalsContact C-OG1 3.31Å; K884-T887 PolarHBondContact O-OG1 3.29Å; K884-M888 WeakPolarHBondContact O-CB 3.33Å; K884-M888 WeakPolarHBondContact O-CG 3.44Å; K884-M888 PolarHBondContact O-N 3.38Å |
| 885 | I | 36 | Very low | 40.3 | Very low | 51 Ų | 51 | 97.3 Ų | 97.3 | 26% | 0.262 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -87.9 | -34.7 | -173.7 | -74.2 | 164.4 | 0 | 0 | 0 | 110.4 | R881 L882 T887 M888 N889 | R881-I885 HydrophobicContact CB-CD1 4.03Å; R881-I885 WeakPolarHBondContact O-CA 3.44Å; R881-I885 WeakPolarHBondContact O-CB 3.32Å; R881-I885 WeakPolarHBondContact O-CD1 3.44Å; R881-I885 WeakPolarHBondContact O-CG1 3.38Å; R881-I885 PolarHBondContact O-N 3.22Å; L882-I885 PolarHBondContact O-N 2.89Å; L882-I885 VanDerWaalsContact O-N 3.17Å; I885-T887 PolarHBondContact O-N 2.97Å; I885-M888 PolarHBondContact O-N 3.49Å; I885-N889 HydrophobicContact CG2-CB 4.01Å; I885-N889 PolarHBondContact O-N 2.9Å |
| 886 | S | 37.5 | Very low | 41.7 | Very low | 62 Ų | 62 | 95.5 Ų | 95.5 | 43% | 0.434 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.8 | 168.1 | 64.6 | 0 | 0 | 0 | 0 | 112.3 | L882 | L882-S886 WeakPolarHBondContact O-CB 3.35Å; L882-S886 PolarHBondContact O-N 3.35Å; L882-S886 PolarHBondContact O-OG 2.86Å |
| 887 | T | 38.9 | Very low | 43.4 | Very low | 85 Ų | 85 | 89.2 Ų | 89.2 | 52% | 0.521 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -8.8 | 170.7 | 59.4 | 0 | 0 | 0 | 0 | 115.2 | I883 K884 I885 | I883-T887 PolarHBondContact O-OG1 3.33Å; K884-T887 VanDerWaalsContact C-OG1 3.31Å; K884-T887 PolarHBondContact O-OG1 3.29Å; I885-T887 PolarHBondContact O-N 2.97Å |
| 888 | M | 36.8 | Very low | 44.8 | Very low | 151 Ų | 151 | 84.3 Ų | 84.3 | 74% | 0.744 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | -30.8 | -172.3 | -68.7 | -81.2 | 103.6 | 0 | 0 | 114.6 | K884 I885 | K884-M888 WeakPolarHBondContact O-CB 3.33Å; K884-M888 WeakPolarHBondContact O-CG 3.44Å; K884-M888 PolarHBondContact O-N 3.38Å; I885-M888 PolarHBondContact O-N 3.49Å |
| 889 | N | 34.3 | Very low | 46.5 | Very low | 84 Ų | 84 | 83.1 Ų | 83.1 | 45% | 0.449 | 42% | 0.423 | S | S | . | . | trans | -103.2 | 139.6 | -178 | -74.6 | 13.6 | 0 | 0 | 0 | 111.3 | I885 E891 | I885-N889 HydrophobicContact CG2-CB 4.01Å; I885-N889 PolarHBondContact O-N 2.9Å; N889-E891 VanDerWaalsContact C-N 3.25Å; N889-E891 PolarHBondContact O-N 3.42Å | ||
| 890 | S | 38.9 | Very low | 48.3 | Very low | 107 Ų | 107 | 80.1 Ų | 80.1 | 75% | 0.748 | 41% | 0.407 | S | S | * | . | trans | -77.3 | -4.4 | 178.4 | 49.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 891 | E | 38.8 | Very low | 50.2 | Low | 145 Ų | 145 | 76.3 Ų | 76.3 | 68% | 0.678 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -80.2 | 127.7 | 177.9 | -67.6 | -177.3 | 158.3 | 0 | 0 | 110.8 | N889 L893 | N889-E891 VanDerWaalsContact C-N 3.25Å; N889-E891 PolarHBondContact O-N 3.42Å; E891-L893 PolarHBondContact O-N 3.33Å |
| 892 | K | 41.9 | Very low | 52.1 | Low | 108 Ų | 108 | 72.8 Ų | 72.8 | 47% | 0.47 | 37% | 0.373 | S | S | . | . | trans | -73 | 69.9 | -177.7 | -71.8 | -170.6 | 174.2 | -168 | 0 | 112.2 | I664 T773 R894 | I664-K892 HydrophobicContact CD1-CB 3.75Å; I664-K892 HydrophobicContact CD1-CG 4.23Å; T773-K892 HydrophobicContact CG2-CD 4.38Å; K892-R894 PolarHBondContact O-N 2.84Å; K892-R894 VanDerWaalsContact O-N 3.1Å | ||
| 893 | L | 45.5 | Very low | 53.9 | Low | 94 Ų | 94 | 71.9 Ų | 71.9 | 49% | 0.492 | 37% | 0.368 | S | S | . | . | trans | -67 | 102.7 | 169.5 | -100.1 | 150.3 | 0 | 0 | 0 | 109.7 | E891 I895 | E891-L893 PolarHBondContact O-N 3.33Å; L893-I895 PolarHBondContact O-N 3.21Å | ||
| 894 | R | 52.4 | Low | 55.9 | Low | 136 Ų | 136 | 67.3 Ų | 67.3 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 118.1 | 173 | -179.9 | 168 | 179.4 | 160.1 | -1.1 | 109.1 | I664 K892 D897 | I664-R894 HydrophobicContact CG2-CB 4.11Å; I664-R894 HydrophobicContact CG2-CG 3.9Å; K892-R894 PolarHBondContact O-N 2.84Å; K892-R894 VanDerWaalsContact O-N 3.1Å; R894-D897 IonicContact CZ-OD1 3.87Å; R894-D897 IonicContact NE-OD1 3.27Å; R894-D897 PolarHBondContact NE-OD1 2.76Å; R894-D897 IonicContact NH2-OD1 3.79Å; R894-D897 PolarHBondContact NH2-OD1 3.4Å; R894-D897 IonicContact NH2-OD2 2.69Å; R894-D897 PolarHBondContact NH2-OD2 3.01Å |
| 895 | I | 61 | Low | 58.1 | Low | 42 Ų | 42 | 62.8 Ų | 62.8 | 22% | 0.215 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 144 | 170.5 | -61.8 | 175.8 | 0 | 0 | 0 | 107.8 | L893 L899 D900 I903 | L893-I895 PolarHBondContact O-N 3.21Å; I895-L899 HydrophobicContact CG2-CB 3.73Å; I895-L899 HydrophobicContact CG2-CD2 3.73Å; I895-L899 HydrophobicContact CG2-CG 3.67Å; I895-D900 HydrophobicContact CB-CB 4.27Å; I895-D900 HydrophobicContact CG2-CB 4.07Å; I895-I903 HydrophobicContact CD1-CD1 4.46Å |
| 896 | P | 63.7 | Low | 60.2 | Low | 20 Ų | 20 | 66.6 Ų | 66.6 | 13% | 0.13 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -54.9 | 139.4 | 171.6 | 13.1 | -26.2 | 0 | 0 | 0 | 113.2 | S868 D870 L872 T898 L899 D900 | S868-P896 CarbonylContact O-C 2.85Å; S868-P896 VanDerWaalsContact O-CB 3.23Å; S868-P896 WeakPolarHBondContact O-CB 3.44Å; D870-P896 VanDerWaalsContact O-CB 3.27Å; D870-P896 WeakPolarHBondContact O-CB 3.4Å; D870-P896 VanDerWaalsContact O-CG 3.28Å; D870-P896 WeakPolarHBondContact O-CG 3.17Å; L872-P896 HydrophobicContact CD1-CG 3.96Å; L872-P896 HydrophobicContact CG-CG 4.17Å; P896-T898 PolarHBondContact O-N 3.18Å; P896-L899 HydrophobicContact CG-CB 4.07Å; P896-L899 HydrophobicContact CG-CD2 4.4Å; P896-L899 PolarHBondContact O-N 3.12Å; P896-D900 PolarHBondContact O-N 2.77Å |
| 897 | D | 70.5 | Confident | 62.4 | Low | 20 Ų | 20 | 67.7 Ų | 67.7 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -14.3 | -176.1 | -75.5 | 33.9 | 0 | 0 | 0 | 115.1 | Q794 G867 S868 R894 D900 Q901 | Q794-D897 PolarHBondContact NE2-OD2 3.26Å; G867-D897 WeakPolarHBondContact CA-O 3.21Å; S868-D897 PolarHBondContact O-N 3.36Å; S868-D897 VanDerWaalsContact O-N 3.09Å; R894-D897 IonicContact CZ-OD1 3.87Å; R894-D897 IonicContact NE-OD1 3.27Å; R894-D897 PolarHBondContact NE-OD1 2.76Å; R894-D897 IonicContact NH2-OD1 3.79Å; R894-D897 PolarHBondContact NH2-OD1 3.4Å; R894-D897 IonicContact NH2-OD2 2.69Å; R894-D897 PolarHBondContact NH2-OD2 3.01Å; D897-D900 WeakPolarHBondContact CA-OD1 3.48Å; D897-Q901 WeakPolarHBondContact O-CG 3.34Å; D897-Q901 PolarHBondContact O-NE2 3.07Å; D897-Q901 PolarHBondContact O-OE1 2.98Å |
| 898 | T | 70.8 | Confident | 64.7 | Low | 4 Ų | 4 | 64.3 Ų | 64.3 | 3% | 0.025 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -39.8 | 167.5 | -31.3 | 0 | 0 | 0 | 0 | 112.1 | L866 G867 S868 T869 P896 I902 V965 | L866-T898 HydrophobicContact CB-CG2 3.69Å; L866-T898 HydrophobicContact CD1-CG2 4.16Å; G867-T898 VanDerWaalsContact C-OG1 3.23Å; G867-T898 PolarHBondContact O-OG1 3.13Å; S868-T898 PolarHBondContact O-N 3.26Å; S868-T898 VanDerWaalsContact O-N 3.13Å; S868-T898 PolarHBondContact O-OG1 2.96Å; S868-T898 VanDerWaalsContact O-OG1 3.14Å; T869-T898 HydrophobicContact CG2-CG2 4.04Å; T869-T898 WeakPolarHBondContact CG2-OG1 3.44Å; T869-T898 PolarHBondContact N-OG1 2.97Å; P896-T898 PolarHBondContact O-N 3.18Å; T898-I902 HydrophobicContact CG2-CD1 3.91Å; T898-I902 WeakPolarHBondContact O-CB 3.48Å; T898-I902 VanDerWaalsContact O-CG1 3.23Å; T898-I902 WeakPolarHBondContact O-CG1 3.17Å; T898-I902 PolarHBondContact O-N 2.85Å; T898-V965 HydrophobicContact CG2-CG1 3.64Å; T898-V965 HydrophobicContact CG2-CG2 4.47Å |
| 899 | L | 70.7 | Confident | 66.9 | Low | 37 Ų | 37 | 63.6 Ų | 63.6 | 19% | 0.194 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -81.1 | -37.2 | -166.8 | 173.8 | 60.8 | 0 | 0 | 0 | 110.8 | L872 L879 I895 P896 I902 I903 | L872-L899 HydrophobicContact CD1-CD2 3.38Å; L879-L899 HydrophobicContact CD1-CD1 4.33Å; L879-L899 HydrophobicContact CD1-CD2 3.57Å; I895-L899 HydrophobicContact CG2-CB 3.73Å; I895-L899 HydrophobicContact CG2-CD2 3.73Å; I895-L899 HydrophobicContact CG2-CG 3.67Å; P896-L899 HydrophobicContact CG-CB 4.07Å; P896-L899 HydrophobicContact CG-CD2 4.4Å; P896-L899 PolarHBondContact O-N 3.12Å; L899-I902 PolarHBondContact O-N 2.79Å; L899-I903 HydrophobicContact CD1-CD1 4.06Å; L899-I903 HydrophobicContact CD1-CG1 4.29Å; L899-I903 HydrophobicContact CG-CD1 3.98Å; L899-I903 WeakPolarHBondContact O-CB 3.45Å; L899-I903 WeakPolarHBondContact O-CD1 3.15Å; L899-I903 WeakPolarHBondContact O-CG1 3.26Å; L899-I903 PolarHBondContact O-N 2.99Å |
| 900 | D | 78.5 | Confident | 69.2 | Low | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.032 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 171.3 | 67 | -18.6 | 0 | 0 | 0 | 112 | W663 G665 P666 I895 P896 D897 I903 F904 | W663-D900 HydrophobicContact CH2-CB 4.2Å; W663-D900 HydrophobicContact CZ2-CB 4.41Å; G665-D900 WeakPolarHBondContact CA-OD2 3.48Å; P666-D900 WeakPolarHBondContact CD-OD2 3.19Å; I895-D900 HydrophobicContact CB-CB 4.27Å; I895-D900 HydrophobicContact CG2-CB 4.07Å; P896-D900 PolarHBondContact O-N 2.77Å; D897-D900 WeakPolarHBondContact CA-OD1 3.48Å; D900-I903 PolarHBondContact O-N 3.26Å; D900-F904 VanDerWaalsContact O-CB 3.24Å; D900-F904 WeakPolarHBondContact O-CB 3.24Å; D900-F904 PolarHBondContact O-N 3.01Å |
| 901 | Q | 83.1 | Confident | 71.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 170.7 | -73 | 177.3 | 5.6 | 0 | 0 | 112.2 | P666 F765 Q794 L866 D897 I903 F904 L905 | P666-Q901 HydrophobicContact CG-CG 4.17Å; F765-Q901 HydrophobicContact CD1-CG 4.28Å; F765-Q901 HydrophobicContact CD2-CG 3.89Å; F765-Q901 HydrophobicContact CE1-CB 4.21Å; F765-Q901 HydrophobicContact CE1-CG 4.17Å; F765-Q901 HydrophobicContact CE2-CB 4.11Å; F765-Q901 VanDerWaalsContact CE2-CD 3.46Å; F765-Q901 HydrophobicContact CE2-CG 3.76Å; F765-Q901 HydrophobicContact CG-CG 4.13Å; F765-Q901 HydrophobicContact CZ-CB 3.84Å; F765-Q901 HydrophobicContact CZ-CG 3.91Å; Q794-Q901 VanDerWaalsContact CD-NE2 3.29Å; L866-Q901 HydrophobicContact CD2-CB 4.31Å; D897-Q901 WeakPolarHBondContact O-CG 3.34Å; D897-Q901 PolarHBondContact O-NE2 3.07Å; D897-Q901 PolarHBondContact O-OE1 2.98Å; Q901-I903 VanDerWaalsContact C-N 3.35Å; Q901-I903 PolarHBondContact O-N 3.43Å; Q901-F904 WeakPolarHBondContact O-CB 3.48Å; Q901-F904 PolarHBondContact O-N 3.02Å; Q901-L905 WeakPolarHBondContact O-CB 3.35Å; Q901-L905 WeakPolarHBondContact O-CG 3.1Å; Q901-L905 PolarHBondContact O-N 2.91Å |
| 902 | I | 76.1 | Confident | 73.5 | Confident | 84 Ų | 84 | 56.5 Ų | 56.5 | 43% | 0.431 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 175.3 | -73.2 | 166.3 | 0 | 0 | 0 | 110.9 | L866 T898 L899 F904 L905 Y906 | L866-I902 HydrophobicContact CD1-CD1 4.23Å; L866-I902 HydrophobicContact CD1-CG1 4.07Å; T898-I902 HydrophobicContact CG2-CD1 3.91Å; T898-I902 WeakPolarHBondContact O-CB 3.48Å; T898-I902 VanDerWaalsContact O-CG1 3.23Å; T898-I902 WeakPolarHBondContact O-CG1 3.17Å; T898-I902 PolarHBondContact O-N 2.85Å; L899-I902 PolarHBondContact O-N 2.79Å; I902-F904 VanDerWaalsContact C-N 3.32Å; I902-F904 PolarHBondContact O-N 2.8Å; I902-L905 PolarHBondContact O-N 3.16Å; I902-Y906 WeakPolarHBondContact O-CB 3.21Å; I902-Y906 PolarHBondContact O-N 2.81Å |
| 903 | I | 76.1 | Confident | 75.2 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 174.1 | -73.4 | 164.6 | 0 | 0 | 0 | 110.5 | W663 I895 L899 D900 Q901 Y906 Y907 | W663-I903 HydrophobicContact CH2-CB 4.38Å; W663-I903 HydrophobicContact CH2-CG2 3.79Å; W663-I903 HydrophobicContact CZ3-CG2 4.28Å; I895-I903 HydrophobicContact CD1-CD1 4.46Å; L899-I903 HydrophobicContact CD1-CD1 4.06Å; L899-I903 HydrophobicContact CD1-CG1 4.29Å; L899-I903 HydrophobicContact CG-CD1 3.98Å; L899-I903 WeakPolarHBondContact O-CB 3.45Å; L899-I903 WeakPolarHBondContact O-CD1 3.15Å; L899-I903 WeakPolarHBondContact O-CG1 3.26Å; L899-I903 PolarHBondContact O-N 2.99Å; D900-I903 PolarHBondContact O-N 3.26Å; Q901-I903 VanDerWaalsContact C-N 3.35Å; Q901-I903 PolarHBondContact O-N 3.43Å; I903-Y906 WeakPolarHBondContact O-CB 3.34Å; I903-Y906 PolarHBondContact O-N 2.7Å; I903-Y907 HydrophobicContact CG2-CD2 3.9Å; I903-Y907 HydrophobicContact CG2-CE2 3.47Å; I903-Y907 VanDerWaalsContact CG2-CE2 3.47Å; I903-Y907 WeakPolarHBondContact O-CD2 3.4Å; I903-Y907 PolarHBondContact O-N 2.88Å |
| 904 | F | 84.8 | Confident | 76.9 | Confident | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.3 | -45.2 | 178 | -174.9 | -85.6 | 0 | 0 | 0 | 112.6 | L650 P666 L669 F765 D900 Q901 I902 Y906 Y907 I908 | L650-F904 HydrophobicContact CB-CD2 4.16Å; L650-F904 HydrophobicContact CB-CE2 3.67Å; L650-F904 HydrophobicContact CD2-CD2 3.91Å; L650-F904 HydrophobicContact CD2-CE2 4.29Å; P666-F904 HydrophobicContact CB-CD2 4.22Å; P666-F904 HydrophobicContact CB-CG 4.3Å; P666-F904 HydrophobicContact CG-CB 3.7Å; P666-F904 HydrophobicContact CG-CD1 4.39Å; P666-F904 HydrophobicContact CG-CD2 3.95Å; P666-F904 HydrophobicContact CG-CG 3.77Å; P666-F904 WeakPolarHBondContact O-CD2 3.43Å; P666-F904 VanDerWaalsContact O-CE2 3.26Å; P666-F904 WeakPolarHBondContact O-CE2 3.33Å; L669-F904 HydrophobicContact CB-CD1 4.48Å; L669-F904 HydrophobicContact CB-CE1 3.62Å; L669-F904 HydrophobicContact CB-CZ 4.41Å; F765-F904 HydrophobicContact CD1-CD1 4.24Å; F765-F904 HydrophobicContact CE1-CD1 4.03Å; D900-F904 VanDerWaalsContact O-CB 3.24Å; D900-F904 WeakPolarHBondContact O-CB 3.24Å; D900-F904 PolarHBondContact O-N 3.01Å; Q901-F904 WeakPolarHBondContact O-CB 3.48Å; Q901-F904 PolarHBondContact O-N 3.02Å; I902-F904 VanDerWaalsContact C-N 3.32Å; I902-F904 PolarHBondContact O-N 2.8Å; F904-Y906 VanDerWaalsContact C-N 3.28Å; F904-Y906 PolarHBondContact O-N 2.7Å; F904-Y907 WeakPolarHBondContact O-CB 3.44Å; F904-Y907 PolarHBondContact O-N 3.3Å; F904-Y907 VanDerWaalsContact O-N 3.12Å; F904-I908 HydrophobicContact CD1-CD1 3.88Å; F904-I908 HydrophobicContact CD1-CG1 4.44Å; F904-I908 HydrophobicContact CE1-CD1 3.4Å; F904-I908 HydrophobicContact CE1-CG1 4.12Å; F904-I908 HydrophobicContact CZ-CD1 4.27Å; F904-I908 PolarHBondContact O-N 3.21Å |
| 905 | L | 83.9 | Confident | 78.3 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 27% | 0.272 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.9 | -37 | 172.6 | -72.8 | 173.8 | 0 | 0 | 0 | 111.7 | L669 F765 L796 L866 Q901 I902 I908 Y909 | L669-L905 HydrophobicContact CD2-CD2 4.09Å; F765-L905 HydrophobicContact CE1-CD2 4.21Å; F765-L905 HydrophobicContact CE1-CG 4.16Å; F765-L905 HydrophobicContact CZ-CD1 4.06Å; F765-L905 HydrophobicContact CZ-CD2 4.18Å; F765-L905 HydrophobicContact CZ-CG 4Å; L796-L905 HydrophobicContact CD1-CD1 4.37Å; L796-L905 HydrophobicContact CD2-CD2 4.07Å; L866-L905 HydrophobicContact CD2-CD1 4.1Å; Q901-L905 WeakPolarHBondContact O-CB 3.35Å; Q901-L905 WeakPolarHBondContact O-CG 3.1Å; Q901-L905 PolarHBondContact O-N 2.91Å; I902-L905 PolarHBondContact O-N 3.16Å; L905-I908 PolarHBondContact O-N 3.33Å; L905-Y909 WeakPolarHBondContact O-CB 3.4Å; L905-Y909 PolarHBondContact O-N 2.95Å |
| 906 | Y | 81.1 | Confident | 78.9 | Confident | 131 Ų | 131 | 47 Ų | 47 | 51% | 0.514 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.6 | -37.5 | 173.4 | 176.5 | -109.7 | 0 | 0 | 0 | 112.3 | I902 I903 F904 Y909 Q910 | I902-Y906 WeakPolarHBondContact O-CB 3.21Å; I902-Y906 PolarHBondContact O-N 2.81Å; I903-Y906 WeakPolarHBondContact O-CB 3.34Å; I903-Y906 PolarHBondContact O-N 2.7Å; F904-Y906 VanDerWaalsContact C-N 3.28Å; F904-Y906 PolarHBondContact O-N 2.7Å; Y906-Y909 HydrophobicContact CD2-CD1 4.3Å; Y906-Y909 HydrophobicContact CE2-CD1 4.41Å; Y906-Y909 WeakPolarHBondContact O-CB 3.42Å; Y906-Y909 PolarHBondContact O-N 3.44Å; Y906-Q910 HydrophobicContact CE1-CG 4.3Å; Y906-Q910 HydrophobicContact CE2-CG 4.45Å; Y906-Q910 VanDerWaalsContact CZ-NE2 3.27Å; Y906-Q910 WeakPolarHBondContact O-CG 3.44Å; Y906-Q910 PolarHBondContact O-N 2.94Å; Y906-Q910 PolarHBondContact OH-NE2 3.27Å; Y906-Q910 VanDerWaalsContact OH-NE2 3.12Å |
| 907 | Y | 83.4 | Confident | 79.2 | Confident | 85 Ų | 85 | 50.4 Ų | 50.4 | 33% | 0.333 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.9 | -40 | 171.3 | -74.8 | -59.3 | 0 | 0 | 0 | 112.8 | L650 I903 F904 Y909 Q910 Q911 | L650-Y907 HydrophobicContact CD1-CD1 4.35Å; L650-Y907 HydrophobicContact CD1-CD2 3.87Å; L650-Y907 HydrophobicContact CD1-CG 3.73Å; L650-Y907 HydrophobicContact CD2-CD2 3.81Å; L650-Y907 HydrophobicContact CD2-CE2 4.22Å; I903-Y907 HydrophobicContact CG2-CD2 3.9Å; I903-Y907 HydrophobicContact CG2-CE2 3.47Å; I903-Y907 VanDerWaalsContact CG2-CE2 3.47Å; I903-Y907 WeakPolarHBondContact O-CD2 3.4Å; I903-Y907 PolarHBondContact O-N 2.88Å; F904-Y907 WeakPolarHBondContact O-CB 3.44Å; F904-Y907 PolarHBondContact O-N 3.3Å; F904-Y907 VanDerWaalsContact O-N 3.12Å; Y907-Y909 VanDerWaalsContact C-N 3.34Å; Y907-Q910 WeakPolarHBondContact O-CB 3.41Å; Y907-Q910 PolarHBondContact O-N 3.25Å; Y907-Q911 WeakPolarHBondContact O-CG 3.5Å; Y907-Q911 PolarHBondContact O-N 3.42Å |
| 908 | I | 86.1 | Confident | 79.3 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 8% | 0.077 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 171.9 | -71 | 176.7 | 0 | 0 | 0 | 110.3 | F648 L669 F904 L905 Q910 Q911 I912 | F648-I908 HydrophobicContact CB-CD1 3.44Å; F648-I908 VanDerWaalsContact CB-CD1 3.44Å; F648-I908 HydrophobicContact CB-CG1 3.93Å; F648-I908 HydrophobicContact CD1-CD1 4.36Å; F648-I908 HydrophobicContact CD1-CG1 4.4Å; F648-I908 HydrophobicContact CD1-CG2 3.95Å; F648-I908 HydrophobicContact CD2-CD1 4.38Å; F648-I908 HydrophobicContact CE1-CG2 4.19Å; F648-I908 HydrophobicContact CG-CD1 3.84Å; F648-I908 HydrophobicContact CG-CG1 4.32Å; F648-I908 HydrophobicContact CG-CG2 4.39Å; L669-I908 HydrophobicContact CB-CD1 3.9Å; L669-I908 HydrophobicContact CD2-CD1 3.76Å; L669-I908 HydrophobicContact CG-CD1 4.49Å; F904-I908 HydrophobicContact CD1-CD1 3.88Å; F904-I908 HydrophobicContact CD1-CG1 4.44Å; F904-I908 HydrophobicContact CE1-CD1 3.4Å; F904-I908 HydrophobicContact CE1-CG1 4.12Å; F904-I908 HydrophobicContact CZ-CD1 4.27Å; F904-I908 PolarHBondContact O-N 3.21Å; L905-I908 PolarHBondContact O-N 3.33Å; I908-Q910 VanDerWaalsContact C-N 3.3Å; I908-Q910 PolarHBondContact O-N 3.14Å; I908-Q911 PolarHBondContact O-N 3.12Å; I908-Q911 VanDerWaalsContact O-N 3.15Å; I908-I912 HydrophobicContact CG2-CD1 3.64Å; I908-I912 HydrophobicContact CG2-CG1 4.25Å; I908-I912 WeakPolarHBondContact O-CG1 3.3Å; I908-I912 PolarHBondContact O-N 2.99Å |
| 909 | Y | 82.7 | Confident | 79.2 | Confident | 136 Ų | 136 | 53.3 Ų | 53.3 | 53% | 0.533 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.2 | -41.2 | 175 | 171.1 | -98.6 | 0 | 0 | 0 | 111.9 | L905 Y906 Y907 I912 S913 | L905-Y909 WeakPolarHBondContact O-CB 3.4Å; L905-Y909 PolarHBondContact O-N 2.95Å; Y906-Y909 HydrophobicContact CD2-CD1 4.3Å; Y906-Y909 HydrophobicContact CE2-CD1 4.41Å; Y906-Y909 WeakPolarHBondContact O-CB 3.42Å; Y906-Y909 PolarHBondContact O-N 3.44Å; Y907-Y909 VanDerWaalsContact C-N 3.34Å; Y909-I912 PolarHBondContact O-N 3.4Å; Y909-S913 WeakPolarHBondContact O-CB 3.42Å; Y909-S913 PolarHBondContact O-N 3.33Å |
| 910 | Q | 84.3 | Confident | 78.6 | Confident | 82 Ų | 82 | 55.2 Ų | 55.2 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 173.7 | -74.5 | -175.9 | -15.8 | 0 | 0 | 112.5 | Y906 Y907 I908 S913 Y914 | Y906-Q910 HydrophobicContact CE1-CG 4.3Å; Y906-Q910 HydrophobicContact CE2-CG 4.45Å; Y906-Q910 VanDerWaalsContact CZ-NE2 3.27Å; Y906-Q910 WeakPolarHBondContact O-CG 3.44Å; Y906-Q910 PolarHBondContact O-N 2.94Å; Y906-Q910 PolarHBondContact OH-NE2 3.27Å; Y906-Q910 VanDerWaalsContact OH-NE2 3.12Å; Y907-Q910 WeakPolarHBondContact O-CB 3.41Å; Y907-Q910 PolarHBondContact O-N 3.25Å; I908-Q910 VanDerWaalsContact C-N 3.3Å; I908-Q910 PolarHBondContact O-N 3.14Å; Q910-S913 PolarHBondContact O-N 3.12Å; Q910-Y914 WeakPolarHBondContact O-CB 3.38Å; Q910-Y914 PolarHBondContact O-N 2.9Å |
| 911 | Q | 85.3 | Confident | 77.6 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 15% | 0.15 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -45.7 | 176.9 | -71.1 | 179.3 | -7.1 | 0 | 0 | 112 | F591 P593 Y907 I908 Y914 V915 | F591-Q911 HydrophobicContact CE1-CB 4.05Å; P593-Q911 HydrophobicContact CG-CB 3.85Å; P593-Q911 HydrophobicContact CG-CG 4.03Å; Y907-Q911 WeakPolarHBondContact O-CG 3.5Å; Y907-Q911 PolarHBondContact O-N 3.42Å; I908-Q911 PolarHBondContact O-N 3.12Å; I908-Q911 VanDerWaalsContact O-N 3.15Å; Q911-Y914 WeakPolarHBondContact O-CB 3.47Å; Q911-Y914 PolarHBondContact O-N 3.47Å; Q911-V915 PolarHBondContact O-N 2.84Å; Q911-V915 VanDerWaalsContact O-N 3.1Å |
| 912 | I | 81.2 | Confident | 75.6 | Confident | 72 Ų | 72 | 62.8 Ų | 62.8 | 37% | 0.369 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 177.1 | -66.4 | 173.3 | 0 | 0 | 0 | 110.7 | F591 F648 I908 Y909 Y914 V915 Q916 | F591-I912 HydrophobicContact CE1-CG1 4.27Å; F591-I912 HydrophobicContact CZ-CG1 4.11Å; F648-I912 HydrophobicContact CE1-CD1 4.28Å; I908-I912 HydrophobicContact CG2-CD1 3.64Å; I908-I912 HydrophobicContact CG2-CG1 4.25Å; I908-I912 WeakPolarHBondContact O-CG1 3.3Å; I908-I912 PolarHBondContact O-N 2.99Å; Y909-I912 PolarHBondContact O-N 3.4Å; I912-Y914 VanDerWaalsContact C-N 3.33Å; I912-Y914 PolarHBondContact O-N 2.81Å; I912-V915 PolarHBondContact O-N 3.21Å; I912-Q916 WeakPolarHBondContact O-CB 3.28Å; I912-Q916 PolarHBondContact O-N 2.84Å |
| 913 | S | 77.5 | Confident | 73.8 | Confident | 31 Ų | 31 | 67 Ų | 67 | 22% | 0.217 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.2 | -36.3 | 176.2 | -170 | 0 | 0 | 0 | 0 | 111.9 | Y909 Q910 Q916 T917 | Y909-S913 WeakPolarHBondContact O-CB 3.42Å; Y909-S913 PolarHBondContact O-N 3.33Å; Q910-S913 PolarHBondContact O-N 3.12Å; S913-Q916 PolarHBondContact O-N 3.28Å; S913-T917 WeakPolarHBondContact O-CB 3.46Å; S913-T917 VanDerWaalsContact O-CG2 3.29Å; S913-T917 WeakPolarHBondContact O-CG2 3.19Å; S913-T917 PolarHBondContact O-N 3.47Å; S913-T917 PolarHBondContact O-OG1 3.38Å |
| 914 | Y | 81.7 | Confident | 71.9 | Confident | 76 Ų | 76 | 72.9 Ų | 72.9 | 30% | 0.298 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 171 | 168.2 | -112.3 | 0 | 0 | 0 | 111.7 | P593 D594 I597 Q910 Q911 I912 T917 R918 | P593-Y914 HydrophobicContact CB-CD1 3.67Å; P593-Y914 HydrophobicContact CB-CE1 3.88Å; D594-Y914 VanDerWaalsContact OD1-CE1 3.3Å; D594-Y914 WeakPolarHBondContact OD1-CE1 3.35Å; D594-Y914 PolarHBondContact OD1-OH 3.49Å; I597-Y914 HydrophobicContact CD1-CD1 3.83Å; I597-Y914 HydrophobicContact CD1-CE1 3.35Å; I597-Y914 HydrophobicContact CD1-CE2 4.41Å; Q910-Y914 WeakPolarHBondContact O-CB 3.38Å; Q910-Y914 PolarHBondContact O-N 2.9Å; Q911-Y914 WeakPolarHBondContact O-CB 3.47Å; Q911-Y914 PolarHBondContact O-N 3.47Å; I912-Y914 VanDerWaalsContact C-N 3.33Å; I912-Y914 PolarHBondContact O-N 2.81Å; Y914-T917 PolarHBondContact O-OG1 3.32Å; Y914-T917 VanDerWaalsContact O-OG1 3.06Å; Y914-R918 WeakPolarHBondContact O-CB 3.34Å; Y914-R918 PolarHBondContact O-N 2.83Å |
| 915 | V | 81.9 | Confident | 69.6 | Low | 14 Ų | 14 | 74.3 Ų | 74.3 | 9% | 0.085 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60 | -48.8 | 172.6 | 179.2 | 0 | 0 | 0 | 0 | 111.2 | F591 P593 V596 I597 Q911 I912 T917 R918 L919 | F591-V915 HydrophobicContact CZ-CG2 4.07Å; P593-V915 HydrophobicContact CB-CG2 3.77Å; V596-V915 HydrophobicContact CG1-CG1 3.8Å; I597-V915 HydrophobicContact CD1-CG2 4.26Å; I597-V915 HydrophobicContact CG1-CB 4.42Å; I597-V915 HydrophobicContact CG1-CG1 4.25Å; I597-V915 HydrophobicContact CG1-CG2 4.21Å; Q911-V915 PolarHBondContact O-N 2.84Å; Q911-V915 VanDerWaalsContact O-N 3.1Å; I912-V915 PolarHBondContact O-N 3.21Å; V915-T917 PolarHBondContact O-N 2.79Å; V915-R918 PolarHBondContact O-N 3.49Å; V915-L919 HydrophobicContact CG1-CD1 3.78Å; V915-L919 HydrophobicContact CG1-CG 4.15Å; V915-L919 WeakPolarHBondContact O-CB 3.27Å; V915-L919 WeakPolarHBondContact O-CG 3.43Å; V915-L919 PolarHBondContact O-N 3.29Å |
| 916 | Q | 73.7 | Confident | 67.2 | Low | 60 Ų | 60 | 73.9 Ų | 73.9 | 28% | 0.28 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.8 | -47.8 | -178.1 | -172.4 | -170.3 | -13 | 0 | 0 | 112.2 | I912 S913 C920 L921 | I912-Q916 WeakPolarHBondContact O-CB 3.28Å; I912-Q916 PolarHBondContact O-N 2.84Å; S913-Q916 PolarHBondContact O-N 3.28Å; Q916-C920 PolarHBondContact O-N 2.81Å; Q916-L921 HydrophobicContact CG-CB 3.65Å; Q916-L921 WeakPolarHBondContact CG-O 3.4Å; Q916-L921 PolarHBondContact NE2-O 2.67Å; Q916-L921 PolarHBondContact O-N 3.24Å |
| 917 | T | 70.9 | Confident | 64.7 | Low | 91 Ų | 91 | 70.7 Ų | 70.7 | 56% | 0.558 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -67.8 | -38 | 178.8 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | S913 Y914 V915 C920 | S913-T917 WeakPolarHBondContact O-CB 3.46Å; S913-T917 VanDerWaalsContact O-CG2 3.29Å; S913-T917 WeakPolarHBondContact O-CG2 3.19Å; S913-T917 PolarHBondContact O-N 3.47Å; S913-T917 PolarHBondContact O-OG1 3.38Å; Y914-T917 PolarHBondContact O-OG1 3.32Å; Y914-T917 VanDerWaalsContact O-OG1 3.06Å; V915-T917 PolarHBondContact O-N 2.79Å; T917-C920 PolarHBondContact O-N 2.85Å |
| 918 | R | 71.3 | Confident | 62.2 | Low | 44 Ų | 44 | 73.3 Ų | 73.3 | 17% | 0.166 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.4 | -39.4 | 177.5 | -142.9 | 78.3 | -177.5 | 137.1 | 10.7 | 113 | N382 N384 I385 I597 Y914 V915 C920 | N382-R918 PolarHBondContact ND2-NH1 3.19Å; N382-R918 PolarHBondContact OD1-NH1 3.35Å; N382-R918 PolarHBondContact OD1-NH2 2.81Å; N384-R918 VanDerWaalsContact CA-NH2 3.3Å; N384-R918 VanDerWaalsContact CB-NH2 3.28Å; N384-R918 PolarHBondContact ND2-NH1 2.87Å; N384-R918 PolarHBondContact O-NH2 3.36Å; I385-R918 VanDerWaalsContact N-NH2 3.13Å; I597-R918 HydrophobicContact CD1-CB 3.76Å; I597-R918 HydrophobicContact CD1-CG 4Å; I597-R918 HydrophobicContact CG1-CB 4.02Å; I597-R918 HydrophobicContact CG1-CG 4.38Å; I597-R918 HydrophobicContact CG2-CB 4.33Å; I597-R918 HydrophobicContact CG2-CG 3.88Å; Y914-R918 WeakPolarHBondContact O-CB 3.34Å; Y914-R918 PolarHBondContact O-N 2.83Å; V915-R918 PolarHBondContact O-N 3.49Å; R918-C920 PolarHBondContact O-N 2.87Å |
| 919 | L | 68.5 | Low | 59.6 | Low | 42 Ų | 42 | 76.7 Ų | 76.7 | 22% | 0.22 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 6.4 | 174.4 | -59.8 | -172.1 | 0 | 0 | 0 | 113.3 | N600 V915 L921 | N600-L919 HydrophobicContact CB-CD1 4.29Å; N600-L919 HydrophobicContact CB-CD2 4.02Å; N600-L919 WeakPolarHBondContact ND2-CD2 3.47Å; V915-L919 HydrophobicContact CG1-CD1 3.78Å; V915-L919 HydrophobicContact CG1-CG 4.15Å; V915-L919 WeakPolarHBondContact O-CB 3.27Å; V915-L919 WeakPolarHBondContact O-CG 3.43Å; V915-L919 PolarHBondContact O-N 3.29Å; L919-L921 HydrophobicContact CB-CD1 4.18Å; L919-L921 HydrophobicContact CB-CG 4.06Å; L919-L921 PolarHBondContact O-N 2.87Å |
| 920 | C | 59.6 | Low | 56.9 | Low | 76 Ų | 76 | 74.7 Ų | 74.7 | 51% | 0.514 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 26.5 | 177.9 | -60.7 | 0 | 0 | 0 | 0 | 114.9 | Q916 T917 R918 D922 K948 | Q916-C920 PolarHBondContact O-N 2.81Å; T917-C920 PolarHBondContact O-N 2.85Å; R918-C920 PolarHBondContact O-N 2.87Å; C920-D922 PolarHBondContact O-N 3.33Å; C920-K948 WeakPolarHBondContact O-CE 3.35Å; C920-K948 PolarHBondContact O-NZ 2.92Å |
| 921 | L | 55.9 | Low | 54.3 | Low | 90 Ų | 90 | 77.3 Ų | 77.3 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | trans | -77.3 | 58.7 | 178.8 | -62.1 | 174.2 | 0 | 0 | 0 | 111.5 | Q916 L919 Y923 | Q916-L921 HydrophobicContact CG-CB 3.65Å; Q916-L921 WeakPolarHBondContact CG-O 3.4Å; Q916-L921 PolarHBondContact NE2-O 2.67Å; Q916-L921 PolarHBondContact O-N 3.24Å; L919-L921 HydrophobicContact CB-CD1 4.18Å; L919-L921 HydrophobicContact CB-CG 4.06Å; L919-L921 PolarHBondContact O-N 2.87Å; L921-Y923 PolarHBondContact O-N 2.7Å | ||
| 922 | D | 41.2 | Very low | 51.4 | Low | 76 Ų | 76 | 80 Ų | 80 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | trans | -77 | 112.5 | -170 | 176.1 | 13.5 | 0 | 0 | 0 | 114.1 | C920 Q924 A925 F926 | C920-D922 PolarHBondContact O-N 3.33Å; D922-Q924 PolarHBondContact O-N 3.19Å; D922-Q924 PolarHBondContact OD1-N 3.34Å; D922-A925 HydrophobicContact CB-CB 4.46Å; D922-F926 WeakPolarHBondContact O-CD2 3.32Å; D922-F926 WeakPolarHBondContact O-CE2 3.45Å; D922-F926 PolarHBondContact O-N 3.14Å | ||
| 923 | Y | 39.6 | Very low | 48.7 | Very low | 171 Ų | 171 | 86.9 Ų | 86.9 | 67% | 0.671 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.8 | -30.4 | -178.1 | -144.7 | -84.2 | 0 | 0 | 0 | 114.3 | L921 F926 T927 | L921-Y923 PolarHBondContact O-N 2.7Å; Y923-F926 PolarHBondContact O-N 2.68Å; Y923-T927 HydrophobicContact CD1-CG2 4.42Å; Y923-T927 PolarHBondContact O-N 3.37Å |
| 924 | Q | 35.3 | Very low | 46.2 | Very low | 154 Ų | 154 | 89 Ų | 89 | 72% | 0.72 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -79.8 | -33.8 | -176.6 | -72.3 | -171.4 | -37.2 | 0 | 0 | 112.4 | D922 F926 T927 | D922-Q924 PolarHBondContact O-N 3.19Å; D922-Q924 PolarHBondContact OD1-N 3.34Å; Q924-F926 PolarHBondContact O-N 2.67Å; Q924-T927 PolarHBondContact O-OG1 3.19Å; Q924-T927 VanDerWaalsContact O-OG1 3.13Å |
| 925 | A | 36.3 | Very low | 43.4 | Very low | 31 Ų | 31 | 91.1 Ų | 91.1 | 26% | 0.256 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.2 | -32 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D922 I929 | D922-A925 HydrophobicContact CB-CB 4.46Å; A925-I929 WeakPolarHBondContact O-CD1 3.48Å; A925-I929 WeakPolarHBondContact O-CG1 3.47Å |
| 926 | F | 34 | Very low | 40.7 | Very low | 42 Ų | 42 | 98.1 Ų | 98.1 | 18% | 0.184 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -70 | -39.7 | 178.9 | -73.1 | -57.9 | 0 | 0 | 0 | 113.4 | D922 Y923 Q924 I929 T930 K948 L950 | D922-F926 WeakPolarHBondContact O-CD2 3.32Å; D922-F926 WeakPolarHBondContact O-CE2 3.45Å; D922-F926 PolarHBondContact O-N 3.14Å; Y923-F926 PolarHBondContact O-N 2.68Å; Q924-F926 PolarHBondContact O-N 2.67Å; F926-I929 PolarHBondContact O-N 2.88Å; F926-T930 PolarHBondContact O-N 3.36Å; F926-T930 PolarHBondContact O-OG1 3.4Å; F926-K948 HydrophobicContact CE1-CB 3.75Å; F926-K948 HydrophobicContact CE1-CD 4.09Å; F926-K948 HydrophobicContact CE1-CG 4.46Å; F926-K948 HydrophobicContact CZ-CB 4.01Å; F926-K948 HydrophobicContact CZ-CD 3.9Å; F926-K948 HydrophobicContact CZ-CG 4.35Å; F926-L950 HydrophobicContact CD1-CD1 3.74Å; F926-L950 HydrophobicContact CD1-CG 3.77Å; F926-L950 HydrophobicContact CE1-CB 4.3Å; F926-L950 HydrophobicContact CE1-CD1 4.31Å; F926-L950 HydrophobicContact CE1-CG 4.01Å |
| 927 | T | 28.4 | Very low | 38.1 | Very low | 65 Ų | 65 | 100.8 Ų | 100.8 | 40% | 0.399 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | -178.5 | 50.6 | 0 | 0 | 0 | 0 | 113 | Y923 Q924 I929 T930 E931 | Y923-T927 HydrophobicContact CD1-CG2 4.42Å; Y923-T927 PolarHBondContact O-N 3.37Å; Q924-T927 PolarHBondContact O-OG1 3.19Å; Q924-T927 VanDerWaalsContact O-OG1 3.13Å; T927-I929 VanDerWaalsContact C-N 3.26Å; T927-I929 PolarHBondContact O-N 3.31Å; T927-T930 WeakPolarHBondContact CA-OG1 3.46Å; T927-T930 PolarHBondContact O-N 3.48Å; T927-T930 VanDerWaalsContact O-N 3.09Å; T927-T930 PolarHBondContact O-OG1 3.12Å; T927-E931 PolarHBondContact O-N 2.9Å |
| 928 | Q | 31.2 | Very low | 35.8 | Very low | 140 Ų | 140 | 104.1 Ų | 104.1 | 65% | 0.654 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.2 | -29.9 | 176.5 | -68.6 | -175.1 | -14.5 | 0 | 0 | 113.2 | T930 E931 S932 | Q928-T930 VanDerWaalsContact C-N 3.35Å; Q928-E931 PolarHBondContact O-N 3.42Å; Q928-S932 WeakPolarHBondContact O-CB 3.35Å; Q928-S932 PolarHBondContact O-N 3.5Å; Q928-S932 VanDerWaalsContact O-N 3.1Å; Q928-S932 PolarHBondContact O-OG 3.4Å |
| 929 | I | 30.5 | Very low | 33.5 | Very low | 86 Ų | 86 | 106.6 Ų | 106.6 | 44% | 0.441 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.5 | -31.6 | 175.7 | -66.6 | 167.7 | 0 | 0 | 0 | 111.3 | A925 F926 T927 S932 L950 | A925-I929 WeakPolarHBondContact O-CD1 3.48Å; A925-I929 WeakPolarHBondContact O-CG1 3.47Å; F926-I929 PolarHBondContact O-N 2.88Å; T927-I929 VanDerWaalsContact C-N 3.26Å; T927-I929 PolarHBondContact O-N 3.31Å; I929-S932 WeakPolarHBondContact CA-OG 3.21Å; I929-S932 PolarHBondContact O-OG 3.2Å; I929-L950 HydrophobicContact CB-CD1 4.47Å; I929-L950 HydrophobicContact CG2-CD1 4.02Å |
| 930 | T | 27.7 | Very low | 31.3 | Very low | 94 Ų | 94 | 110 Ų | 110 | 58% | 0.577 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.8 | -44.8 | 172 | 9.4 | 0 | 0 | 0 | 0 | 112.6 | F926 T927 Q928 S932 R933 | F926-T930 PolarHBondContact O-N 3.36Å; F926-T930 PolarHBondContact O-OG1 3.4Å; T927-T930 WeakPolarHBondContact CA-OG1 3.46Å; T927-T930 PolarHBondContact O-N 3.48Å; T927-T930 VanDerWaalsContact O-N 3.09Å; T927-T930 PolarHBondContact O-OG1 3.12Å; Q928-T930 VanDerWaalsContact C-N 3.35Å; T930-S932 PolarHBondContact O-N 2.79Å; T930-R933 PolarHBondContact O-N 2.85Å |
| 931 | E | 27.9 | Very low | 29.5 | Very low | 136 Ų | 136 | 114.9 Ų | 114.9 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -67.8 | -35.6 | -178.1 | -68.8 | -176 | 155.3 | 0 | 0 | 112.4 | T927 Q928 R933 S934 | T927-E931 PolarHBondContact O-N 2.9Å; Q928-E931 PolarHBondContact O-N 3.42Å; E931-R933 PolarHBondContact O-N 3.46Å; E931-R933 VanDerWaalsContact O-N 3.17Å; E931-S934 PolarHBondContact O-N 3.43Å; E931-S934 PolarHBondContact O-OG 3.24Å |
| 932 | S | 25.9 | Very low | 27.9 | Very low | 88 Ų | 88 | 115.6 Ų | 115.6 | 62% | 0.615 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -6.5 | 179.5 | 54 | 0 | 0 | 0 | 0 | 115.5 | Q928 I929 T930 | Q928-S932 WeakPolarHBondContact O-CB 3.35Å; Q928-S932 PolarHBondContact O-N 3.5Å; Q928-S932 VanDerWaalsContact O-N 3.1Å; Q928-S932 PolarHBondContact O-OG 3.4Å; I929-S932 WeakPolarHBondContact CA-OG 3.21Å; I929-S932 PolarHBondContact O-OG 3.2Å; T930-S932 PolarHBondContact O-N 2.79Å |
| 933 | R | 24.3 | Very low | 27 | Very low | 218 Ų | 218 | 118.4 Ų | 118.4 | 82% | 0.823 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -8.3 | 166.3 | -79.3 | -168.8 | 172.5 | -168.6 | -1.5 | 113.9 | T930 E931 | T930-R933 PolarHBondContact O-N 2.85Å; E931-R933 PolarHBondContact O-N 3.46Å; E931-R933 VanDerWaalsContact O-N 3.17Å |
| 934 | S | 24.7 | Very low | 26.3 | Very low | 74 Ų | 74 | 117.4 Ų | 117.4 | 52% | 0.517 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -102.5 | 111.8 | 165.1 | 42.1 | 0 | 0 | 0 | 0 | 110.7 | E931 | E931-S934 PolarHBondContact O-N 3.43Å; E931-S934 PolarHBondContact O-OG 3.24Å |
| 935 | T | 23.2 | Very low | 25.6 | Very low | 122 Ų | 122 | 116.3 Ų | 116.3 | 75% | 0.748 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 84 | 123.1 | 166.6 | 75.1 | 0 | 0 | 0 | 0 | 119.3 | ||
| 936 | L | 23.7 | Very low | 25 | Very low | 160 Ų | 160 | 123.7 Ų | 123.7 | 84% | 0.838 | 66% | 0.662 | S | S | * | * | trans | 64.1 | 136.5 | 155.7 | -79.4 | 86.5 | 0 | 0 | 0 | 122 | ||||
| 937 | S | 21 | Very low | 24.5 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | trans | -67.6 | 121.4 | 171.9 | 51.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 938 | I | 22.2 | Very low | 24.4 | Very low | 160 Ų | 160 | 129.4 Ų | 129.4 | 82% | 0.821 | 68% | 0.683 | S | S | * | * | trans | -128.6 | 141.4 | 161.4 | -62.3 | -178.4 | 0 | 0 | 0 | 108.7 | ||||
| 939 | S | 22.6 | Very low | 24 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | trans | -66 | 144.4 | -173.1 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 940 | P | 22.2 | Very low | 23.9 | Very low | 112 Ų | 112 | 127.6 Ų | 127.6 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | trans | -78 | 127.7 | -177 | 31.5 | -34.5 | 0 | 0 | 0 | 112.5 | ||||
| 941 | Q | 22.4 | Very low | 23.9 | Very low | 179 Ų | 179 | 125.5 Ų | 125.5 | 84% | 0.836 | 67% | 0.666 | S | S | * | * | trans | -140.9 | 140.5 | 159.9 | -72.6 | -166.6 | -12.2 | 0 | 0 | 110.8 | ||||
| 942 | S | 22.6 | Very low | 24.2 | Very low | 105 Ų | 105 | 122.5 Ų | 122.5 | 73% | 0.734 | 66% | 0.66 | S | S | * | * | trans | 61.1 | 109.4 | 167.9 | 57.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 943 | N | 21.5 | Very low | 24.8 | Very low | 135 Ų | 135 | 121.8 Ų | 121.8 | 72% | 0.722 | 65% | 0.651 | S | S | * | * | 48.6 | 109.1 | 125.3 | -55.6 | -8 | 0 | 0 | 0 | 120 | |||||
| 944 | H | 24.3 | Very low | 25.7 | Very low | 150 Ų | 150 | 113 Ų | 113 | 69% | 0.694 | 63% | 0.629 | S | S | * | * | 157.5 | 88.7 | 116 | -81.4 | -63.8 | 0 | 0 | 0 | 109.8 | Y946 | H944-Y946 HydrophobicContact CB-CE2 4.45Å; H944-Y946 PolarHBondContact O-N 2.9Å | |||
| 945 | N | 21.4 | Very low | 26.7 | Very low | 132 Ų | 132 | 115.8 Ų | 115.8 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | trans | -72 | 91.6 | -174.2 | -66.8 | -18.7 | 0 | 0 | 0 | 112.5 | H947 | N945-H947 PolarHBondContact O-N 2.93Š| ||
| 946 | Y | 23.1 | Very low | 27.9 | Very low | 185 Ų | 185 | 110.5 Ų | 110.5 | 73% | 0.725 | 60% | 0.6 | S | S | * | * | trans | -90.2 | 96.6 | 164 | -75.4 | -77.8 | 0 | 0 | 0 | 110.3 | H944 K948 | H944-Y946 HydrophobicContact CB-CE2 4.45Å; H944-Y946 PolarHBondContact O-N 2.9Å; Y946-K948 PolarHBondContact O-N 2.94Å | ||
| 947 | H | 23.9 | Very low | 29.4 | Very low | 163 Ų | 163 | 104.2 Ų | 104.2 | 76% | 0.755 | 57% | 0.568 | S | S | * | * | trans | -65.6 | 101.3 | 174.3 | -62 | -84 | 0 | 0 | 0 | 110.3 | N945 | N945-H947 PolarHBondContact O-N 2.93Š| ||
| 948 | K | 25.4 | Very low | 30.8 | Very low | 65 Ų | 65 | 102 Ų | 102 | 28% | 0.283 | 55% | 0.547 | S | S | . | . | trans | -112.5 | 119.9 | 178.8 | -76.9 | 179.4 | 171.5 | 177.8 | 0 | 111.7 | C920 F926 Y946 L950 | C920-K948 WeakPolarHBondContact O-CE 3.35Å; C920-K948 PolarHBondContact O-NZ 2.92Å; F926-K948 HydrophobicContact CE1-CB 3.75Å; F926-K948 HydrophobicContact CE1-CD 4.09Å; F926-K948 HydrophobicContact CE1-CG 4.46Å; F926-K948 HydrophobicContact CZ-CB 4.01Å; F926-K948 HydrophobicContact CZ-CD 3.9Å; F926-K948 HydrophobicContact CZ-CG 4.35Å; Y946-K948 PolarHBondContact O-N 2.94Å; K948-L950 PolarHBondContact O-N 3.3Å; K948-L950 VanDerWaalsContact O-N 3.14Å | ||
| 949 | L | 23.9 | Very low | 32.4 | Very low | 133 Ų | 133 | 96.9 Ų | 96.9 | 70% | 0.696 | 52% | 0.517 | S | S | * | . | trans | -59.2 | 112.5 | 166.6 | -125.2 | 79.5 | 0 | 0 | 0 | 108.4 | I830 | I830-L949 HydrophobicContact CD1-CD2 3.97Š| ||
| 950 | L | 27.9 | Very low | 34.2 | Very low | 54 Ų | 54 | 95.8 Ų | 95.8 | 28% | 0.283 | 51% | 0.51 | S | S | . | . | trans | -101.6 | 94.9 | -179.5 | -156 | 160.4 | 0 | 0 | 0 | 108.7 | P829 F926 I929 K948 C952 | P829-L950 WeakPolarHBondContact CB-O 3.5Å; F926-L950 HydrophobicContact CD1-CD1 3.74Å; F926-L950 HydrophobicContact CD1-CG 3.77Å; F926-L950 HydrophobicContact CE1-CB 4.3Å; F926-L950 HydrophobicContact CE1-CD1 4.31Å; F926-L950 HydrophobicContact CE1-CG 4.01Å; I929-L950 HydrophobicContact CB-CD1 4.47Å; I929-L950 HydrophobicContact CG2-CD1 4.02Å; K948-L950 PolarHBondContact O-N 3.3Å; K948-L950 VanDerWaalsContact O-N 3.14Å; L950-C952 VanDerWaalsContact CD2-SG 3.51Å; L950-C952 PolarHBondContact O-N 3.04Å | ||
| 951 | C | 28.4 | Very low | 35.9 | Very low | 50 Ų | 50 | 95.2 Ų | 95.2 | 34% | 0.338 | 50% | 0.5 | S | S | . | . | trans | -87.1 | 102.2 | 175.4 | -141.1 | 0 | 0 | 0 | 0 | 108.8 | I830 L832 V953 | I830-C951 PolarHBondContact O-SG 2.81Å; I830-C951 VanDerWaalsContact O-SG 3.37Å; L832-C951 WeakPolarHBondContact CD1-SG 3.36Å; C951-V953 VanDerWaalsContact C-N 3.3Å; C951-V953 HydrophobicContact CB-CG2 4.33Å; C951-V953 PolarHBondContact O-N 3.14Å | ||
| 952 | C | 33.2 | Very low | 37.8 | Very low | 73 Ų | 73 | 90.2 Ų | 90.2 | 49% | 0.493 | 48% | 0.476 | S | S | . | . | trans | -72.9 | 88.9 | 169.4 | -67.5 | 0 | 0 | 0 | 0 | 108.8 | L950 G954 | L950-C952 VanDerWaalsContact CD2-SG 3.51Å; L950-C952 PolarHBondContact O-N 3.04Å; C952-G954 PolarHBondContact O-N 2.9Å; C952-G954 VanDerWaalsContact O-N 3.13Å | ||
| 953 | V | 38.9 | Very low | 39.4 | Very low | 73 Ų | 73 | 90.5 Ų | 90.5 | 44% | 0.442 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 95.8 | 174.9 | -168.3 | 0 | 0 | 0 | 0 | 108.9 | L832 I834 C951 | L832-V953 HydrophobicContact CB-CG1 4.45Å; L832-V953 HydrophobicContact CD1-CG2 3.93Å; I834-V953 HydrophobicContact CD1-CG1 3.36Å; I834-V953 HydrophobicContact CG1-CG1 3.89Å; C951-V953 VanDerWaalsContact C-N 3.3Å; C951-V953 HydrophobicContact CB-CG2 4.33Å; C951-V953 PolarHBondContact O-N 3.14Å |
| 954 | G | 43.2 | Very low | 41.2 | Very low | 34 Ų | 34 | 86.8 Ų | 86.8 | 35% | 0.351 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 121.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | I834 C952 | I834-G954 PolarHBondContact N-O 3.46Å; C952-G954 PolarHBondContact O-N 2.9Å; C952-G954 VanDerWaalsContact O-N 3.13Å |
| 955 | F | 46.5 | Very low | 42.6 | Very low | 132 Ų | 132 | 82.2 Ų | 82.2 | 58% | 0.579 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 147.3 | 164.4 | 70.8 | -89.7 | 0 | 0 | 0 | 110 | I834 T957 | I834-F955 HydrophobicContact CB-CB 3.66Å; I834-F955 HydrophobicContact CD1-CB 4.48Å; I834-F955 HydrophobicContact CG1-CB 4.49Å; I834-F955 HydrophobicContact CG2-CB 3.95Å; I834-F955 WeakPolarHBondContact O-CA 3.41Å; F955-T957 HydrophobicContact CD2-CG2 4.39Å |
| 956 | S | 47.9 | Very low | 44.1 | Very low | 11 Ų | 11 | 81 Ų | 81 | 8% | 0.077 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 139.6 | 179.9 | 59.2 | 0 | 0 | 0 | 0 | 110.3 | H724 P727 I834 I836 | H724-S956 VanDerWaalsContact CE1-CB 3.49Å; H724-S956 WeakPolarHBondContact CE1-CB 3.26Å; P727-S956 WeakPolarHBondContact CD-OG 3.42Å; I834-S956 PolarHBondContact O-N 3.47Å; I834-S956 VanDerWaalsContact O-N 3.07Å; I836-S956 PolarHBondContact N-O 3.38Å |
| 957 | T | 55 | Low | 44.9 | Very low | 28 Ų | 28 | 76.4 Ų | 76.4 | 17% | 0.172 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 126.3 | -176.6 | 67.2 | 0 | 0 | 0 | 0 | 108.3 | H724 I836 I862 F955 R959 | H724-T957 PolarHBondContact CD2-O 2.98Å; I836-T957 HydrophobicContact CB-CG2 3.95Å; I836-T957 HydrophobicContact CD1-CG2 3.78Å; I836-T957 HydrophobicContact CG1-CG2 4.05Å; I862-T957 HydrophobicContact CD1-CG2 3.84Å; F955-T957 HydrophobicContact CD2-CG2 4.39Å; T957-R959 WeakPolarHBondContact CB-O 3.19Å; T957-R959 PolarHBondContact O-N 2.86Å; T957-R959 PolarHBondContact OG1-O 2.92Å |
| 958 | L | 50 | Low | 45.5 | Very low | 70 Ų | 70 | 71.5 Ų | 71.5 | 37% | 0.366 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -71.9 | -20.4 | 176.3 | -67.6 | 170 | 0 | 0 | 0 | 111.3 | Y707 D837 | Y707-L958 HydrophobicContact CE2-CD2 4.36Å; D837-L958 PolarHBondContact OD2-N 3.23Å |
| 959 | R | 57.1 | Low | 45.6 | Very low | 53 Ų | 53 | 75 Ų | 75 | 20% | 0.2 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -94.1 | 151 | 174.1 | -66.7 | 165.6 | 172.1 | 177.5 | -23.3 | 111.9 | D837 D858 Y860 I862 T957 | D837-R959 VanDerWaalsContact OD1-CD 3.25Å; D837-R959 WeakPolarHBondContact OD1-CD 3.45Å; D837-R959 IonicContact OD1-CZ 3.4Å; D837-R959 IonicContact OD1-NE 3.27Å; D837-R959 IonicContact OD1-NH1 2.7Å; D837-R959 PolarHBondContact OD1-NH1 2.82Å; D837-R959 WeakPolarHBondContact OD2-CD 3.42Å; D837-R959 WeakPolarHBondContact OD2-CG 3.47Å; D837-R959 PolarHBondContact OD2-N 3.44Å; D858-R959 PolarHBondContact O-NE 2.94Å; D858-R959 PolarHBondContact O-NH2 3.43Å; Y860-R959 WeakPolarHBondContact O-CB 3.12Å; Y860-R959 WeakPolarHBondContact O-CD 3.41Å; Y860-R959 WeakPolarHBondContact O-CG 3.24Å; Y860-R959 PolarHBondContact O-NE 2.94Å; I862-R959 HydrophobicContact CG1-CB 4.25Å; T957-R959 WeakPolarHBondContact CB-O 3.19Å; T957-R959 PolarHBondContact O-N 2.86Å; T957-R959 PolarHBondContact OG1-O 2.92Å |
| 960 | S | 59.3 | Low | 45.9 | Very low | 75 Ų | 75 | 75.3 Ų | 75.3 | 52% | 0.524 | 41% | 0.414 | S | S | . | . | trans | -65.1 | 165.5 | 163.3 | 40.1 | 0 | 0 | 0 | 0 | 110.9 | P861 I862 | P861-S960 CarbonylContact C-O 3.57Å; P861-S960 WeakPolarHBondContact CA-O 3.43Å; P861-S960 WeakPolarHBondContact CB-O 3.38Å; I862-S960 PolarHBondContact N-O 3.42Å | ||
| 961 | I | 57.6 | Low | 45.8 | Very low | 100 Ų | 100 | 76.7 Ų | 76.7 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 128.3 | 171.8 | -63.2 | 172.3 | 0 | 0 | 0 | 107.7 | I862 F864 | I862-I961 HydrophobicContact CB-CG1 4.37Å; F864-I961 HydrophobicContact CD2-CG2 3.58Å; F864-I961 HydrophobicContact CE2-CG2 3.61Å |
| 962 | E | 63.2 | Low | 45.7 | Very low | 74 Ų | 74 | 80.3 Ų | 80.3 | 35% | 0.346 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137.3 | 177.1 | 178.7 | 169.2 | -122.9 | 0 | 0 | 109.1 | P861 I862 K863 F864 | P861-E962 HydrophobicContact CB-CB 3.53Å; P861-E962 HydrophobicContact CG-CB 3.49Å; P861-E962 VanDerWaalsContact CG-CB 3.49Å; P861-E962 HydrophobicContact CG-CG 4.24Å; P861-E962 WeakPolarHBondContact CG-OE2 3.49Å; I862-E962 PolarHBondContact O-N 3.37Å; K863-E962 WeakPolarHBondContact CE-OE2 3.31Å; K863-E962 IonicContact NZ-OE2 3.98Å; K863-E962 PolarHBondContact NZ-OE2 2.85Å; F864-E962 PolarHBondContact N-O 2.9Å |
| 963 | L | 55.7 | Low | 45.3 | Very low | 111 Ų | 111 | 78.7 Ų | 78.7 | 58% | 0.581 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 96.8 | 177.4 | 179.4 | 68.5 | 0 | 0 | 0 | 108.4 | F864 L866 V965 | F864-L963 HydrophobicContact CB-CD1 3.73Å; F864-L963 CarbonylContact O-C 3.59Å; F864-L963 WeakPolarHBondContact O-CA 3.42Å; L866-L963 HydrophobicContact CD1-CD1 4.18Å; L866-L963 HydrophobicContact CG-CD1 4.44Å; L963-V965 HydrophobicContact CD2-CG2 4.47Å; L963-V965 HydrophobicContact CG-CG2 4.18Å; L963-V965 PolarHBondContact O-N 3.35Å |
| 964 | D | 59.8 | Low | 44.6 | Very low | 57 Ų | 57 | 78.9 Ų | 78.9 | 31% | 0.305 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 105.3 | 177.5 | -77.8 | -26.1 | 0 | 0 | 0 | 109.4 | K863 F864 S865 L866 | K863-D964 IonicContact NZ-OD1 2.74Å; K863-D964 IonicContact NZ-OD2 3.35Å; K863-D964 PolarHBondContact NZ-OD2 3.41Å; F864-D964 PolarHBondContact O-N 3.21Å; S865-D964 WeakPolarHBondContact CA-O 3.22Å; L866-D964 PolarHBondContact N-O 3.18Å |
| 965 | V | 54.1 | Low | 43.7 | Very low | 53 Ų | 53 | 80.6 Ų | 80.6 | 32% | 0.321 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 114.5 | 168.3 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | L866 T869 T898 L963 V967 | L866-V965 HydrophobicContact CB-CG2 4.35Å; L866-V965 HydrophobicContact CD1-CG2 4.21Å; T869-V965 HydrophobicContact CG2-CG1 3.83Å; T898-V965 HydrophobicContact CG2-CG1 3.64Å; T898-V965 HydrophobicContact CG2-CG2 4.47Å; L963-V965 HydrophobicContact CD2-CG2 4.47Å; L963-V965 HydrophobicContact CG-CG2 4.18Å; L963-V965 PolarHBondContact O-N 3.35Å; V965-V967 HydrophobicContact CG1-CG2 4.25Å; V965-V967 PolarHBondContact O-N 2.94Å |
| 966 | N | 51.3 | Low | 42.5 | Very low | 107 Ų | 107 | 84.9 Ų | 84.9 | 57% | 0.572 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 97.2 | 176.5 | -80.4 | -35.2 | 0 | 0 | 0 | 110.2 | S868 T869 C968 | S868-N966 CarbonylContact C-O 3.08Å; S868-N966 VanDerWaalsContact CA-O 3.23Å; S868-N966 WeakPolarHBondContact CA-O 2.94Å; T869-N966 PolarHBondContact N-O 3.49Å; N966-C968 PolarHBondContact O-N 2.67Å; N966-C968 VanDerWaalsContact O-N 3.14Å |
| 967 | V | 41 | Very low | 41.1 | Very low | 88 Ų | 88 | 90.2 Ų | 90.2 | 53% | 0.533 | 45% | 0.451 | S | S | . | . | trans | -83.8 | 85 | 170 | -177 | 0 | 0 | 0 | 0 | 108.6 | T869 V965 H969 | T869-V967 WeakPolarHBondContact OG1-CA 3.3Å; V965-V967 HydrophobicContact CG1-CG2 4.25Å; V965-V967 PolarHBondContact O-N 2.94Å; V967-H969 VanDerWaalsContact C-N 3.34Å; V967-H969 PolarHBondContact O-N 3.41Å | ||
| 968 | C | 35.6 | Very low | 39.5 | Very low | 61 Ų | 61 | 98 Ų | 98 | 41% | 0.412 | 48% | 0.483 | S | S | . | . | trans | -62.9 | 99.9 | 164.6 | -75.7 | 0 | 0 | 0 | 0 | 108.4 | S868 D870 N966 H970 | S868-C968 VanDerWaalsContact OG-CB 3.27Å; S868-C968 WeakPolarHBondContact OG-CB 3.5Å; S868-C968 PolarHBondContact OG-SG 3.48Å; D870-C968 VanDerWaalsContact OD1-CB 3.32Å; D870-C968 WeakPolarHBondContact OD1-CB 3.48Å; D870-C968 WeakPolarHBondContact OD2-CB 3.49Å; N966-C968 PolarHBondContact O-N 2.67Å; N966-C968 VanDerWaalsContact O-N 3.14Å; C968-H970 PolarHBondContact O-N 2.84Å | ||
| 969 | H | 29 | Very low | 38 | Very low | 139 Ų | 139 | 103.3 Ų | 103.3 | 64% | 0.644 | 51% | 0.506 | S | S | * | . | trans | -81.8 | 68.2 | 179.7 | -138.6 | -30 | 0 | 0 | 0 | 109.9 | H873 V967 Q971 | H873-H969 AromaticContact CE1-CE1 3.96Å; V967-H969 VanDerWaalsContact C-N 3.34Å; V967-H969 PolarHBondContact O-N 3.41Å; H969-Q971 PolarHBondContact O-N 2.89Å | ||
| 970 | H | 30 | Very low | 36.2 | Very low | 138 Ų | 138 | 107.1 Ų | 107.1 | 64% | 0.639 | 53% | 0.534 | S | S | * | . | trans | -61.5 | 126.9 | 155 | -111.5 | -66.4 | 0 | 0 | 0 | 107.9 | D870 C968 E972 | D870-H970 IonicContact OD1-CD2 3.05Å; C968-H970 PolarHBondContact O-N 2.84Å; H970-E972 PolarHBondContact O-N 3.41Å | ||
| 971 | Q | 24.4 | Very low | 34.3 | Very low | 83 Ų | 83 | 108.8 Ų | 108.8 | 39% | 0.388 | 55% | 0.546 | S | S | . | . | trans | -51.3 | 133.3 | 145.1 | -75.5 | 145.5 | -84.6 | 0 | 0 | 106.3 | H969 | H969-Q971 PolarHBondContact O-N 2.89Š| ||
| 972 | E | 26.7 | Very low | 32.5 | Very low | 126 Ų | 126 | 108.8 Ų | 108.8 | 59% | 0.589 | 56% | 0.555 | S | S | * | * | cis | -140.5 | 144.9 | 43.9 | -62.1 | -176.7 | 123 | 0 | 0 | 116 | H970 | H970-E972 PolarHBondContact O-N 3.41Š| ||
| 973 | N | 25.7 | Very low | 30.4 | Very low | 39 Ų | 39 | 111.8 Ų | 111.8 | 21% | 0.209 | 58% | 0.581 | C | S | . | * | trans | 60.4 | 117.8 | 139.6 | -66.1 | -31.5 | 0 | 0 | 0 | 122.9 | H873 T874 I1431 | H873-N973 CarbonylContact C-O 3.59Å; T874-N973 VanDerWaalsContact CA-O 3.24Å; T874-N973 WeakPolarHBondContact CA-O 3.4Å; T874-N973 WeakPolarHBondContact CG2-O 3.45Å; T874-N973 PolarHBondContact N-O 3.26Å; T874-N973 VanDerWaalsContact N-O 3.11Å; N973-I1431 VanDerWaalsContact OD1-CD1 3.24Å; N973-I1431 WeakPolarHBondContact OD1-CD1 3.02Å; N973-I1431 WeakPolarHBondContact OD1-CG1 3.37Å; N973-I1431 VanDerWaalsContact OD1-CG2 3.25Å; N973-I1431 WeakPolarHBondContact OD1-CG2 3.38Å | ||
| 974 | E | 23.4 | Very low | 28.6 | Very low | 78 Ų | 78 | 111.2 Ų | 111.2 | 36% | 0.364 | 59% | 0.586 | S | S | . | * | 73.3 | 96.4 | 127.9 | -67 | -162 | 147.6 | 0 | 0 | 122.5 | H873 T874 N875 | H873-E974 CarbonylContact O-C 3.48Å; T874-E974 WeakPolarHBondContact CA-O 3.15Å; N875-E974 PolarHBondContact N-O 3.37Å | |||
| 975 | I | 24.8 | Very low | 26.7 | Very low | 70 Ų | 70 | 117 Ų | 117 | 36% | 0.359 | 61% | 0.609 | S | S | . | * | 166.8 | 112 | 99.9 | -85 | 143 | 0 | 0 | 0 | 111.6 | H873 N875 | H873-I975 PolarHBondContact O-N 3.37Å; N875-I975 WeakPolarHBondContact OD1-CD1 3.33Å | |||
| 976 | R | 21.2 | Very low | 25.2 | Very low | 222 Ų | 222 | 121 Ų | 121 | 84% | 0.838 | 63% | 0.634 | S | S | * | * | trans | -95.9 | 111.5 | 171.8 | -163.1 | 179.1 | -165.6 | 173.6 | 5.9 | 109.9 | ||||
| 977 | M | 19.1 | Very low | 23.7 | Very low | 123 Ų | 123 | 123.1 Ų | 123.1 | 61% | 0.606 | 64% | 0.64 | S | S | * | * | trans | -76.6 | 144.4 | 174.4 | -97 | -87 | -95.7 | 0 | 0 | 112.7 | R876 | R876-M977 PolarHBondContact NH1-O 2.89Š| ||
| 978 | K | 19.9 | Very low | 22.8 | Very low | 190 Ų | 190 | 126.4 Ų | 126.4 | 83% | 0.826 | 66% | 0.655 | S | S | * | * | trans | -63 | 145 | -176.8 | -58.9 | 162.2 | 177.1 | 174.3 | 0 | 113.9 | ||||
| 979 | Q | 18.7 | Very low | 22.2 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 86% | 0.855 | 67% | 0.671 | S | S | * | * | trans | -156.6 | 99.2 | 142.2 | -152.8 | 164.1 | 2.4 | 0 | 0 | 107 | ||||
| 980 | V | 20.1 | Very low | 21.9 | Very low | 132 Ų | 132 | 131 Ų | 131 | 80% | 0.8 | 68% | 0.678 | S | S | * | * | 64.6 | 91.6 | 86.8 | -179.1 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 981 | S | 19.5 | Very low | 21.4 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 78% | 0.776 | 68% | 0.684 | S | S | * | * | trans | -179.2 | 146.6 | 147.6 | 40.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 982 | S | 18.7 | Very low | 21.2 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | cis | -161.6 | 145.9 | -21.3 | 37.6 | 0 | 0 | 0 | 0 | 106.1 | S984 | S982-S984 PolarHBondContact O-N 3.41Š| ||
| 983 | P | 19 | Very low | 20.9 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 89% | 0.89 | 71% | 0.712 | S | S | * | * | trans | -70.8 | 131 | -173.7 | 29 | -34.2 | 0 | 0 | 0 | 111.4 | ||||
| 984 | S | 19.6 | Very low | 20.6 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | -112 | 115.3 | 174.4 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | S982 | S982-S984 PolarHBondContact O-N 3.41Š| ||
| 985 | F | 20.1 | Very low | 20.4 | Very low | 179 Ų | 179 | 143.6 Ų | 143.6 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | 48.6 | 109 | 151.2 | -66.3 | -93.5 | 0 | 0 | 0 | 119 | E987 | F985-E987 HydrophobicContact CD1-CG 4.01Š| ||
| 986 | T | 21.3 | Very low | 20.2 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -103.9 | 99.5 | 136.2 | 45.9 | 0 | 0 | 0 | 0 | 108.4 | N988 | T986-N988 PolarHBondContact O-N 3.46Š| ||
| 987 | E | 21.2 | Very low | 20.2 | Very low | 152 Ų | 152 | 143.1 Ų | 143.1 | 71% | 0.71 | 79% | 0.787 | S | S | * | * | trans | -70.2 | 114.7 | 162.7 | -64 | 179.3 | 135.7 | 0 | 0 | 108.6 | F985 | F985-E987 HydrophobicContact CD1-CG 4.01Š| ||
| 988 | N | 21.7 | Very low | 20.2 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | trans | -107.7 | 108.4 | 161.3 | -86.3 | -12.9 | 0 | 0 | 0 | 108.2 | T986 | T986-N988 PolarHBondContact O-N 3.46Š| ||
| 989 | N | 22.2 | Very low | 20.1 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | trans | -70.5 | 175.2 | 161.8 | -77.6 | -63.3 | 0 | 0 | 0 | 110.3 | ||||
| 990 | I | 22.1 | Very low | 20.2 | Very low | 155 Ų | 155 | 139 Ų | 139 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | trans | 82.5 | 119.7 | -171.8 | -48.3 | 157.7 | 0 | 0 | 0 | 109.3 | ||||
| 991 | D | 20.7 | Very low | 20.1 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | cis | -146.3 | 159.3 | 25.4 | -134 | -30 | 0 | 0 | 0 | 114.7 | ||||
| 992 | T | 20.3 | Very low | 20.1 | Very low | 129 Ų | 129 | 137.1 Ų | 137.1 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -96.9 | 97.5 | 176.3 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 993 | S | 20.1 | Very low | 20.1 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 175.5 | 110.2 | 144.5 | 41 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 994 | L | 19.7 | Very low | 20 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | trans | -151.4 | 132.7 | 144.7 | -144.4 | 73.5 | 0 | 0 | 0 | 110.7 | ||||
| 995 | Q | 19.8 | Very low | 19.9 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 78% | 0.78 | 79% | 0.794 | S | S | * | * | trans | -89.1 | 157.8 | -179.1 | -72.4 | -177.5 | -29.8 | 0 | 0 | 112.2 | ||||
| 996 | N | 20.2 | Very low | 19.8 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | 61.3 | 96.3 | 149.6 | -59.1 | -21.5 | 0 | 0 | 0 | 118.9 | ||||
| 997 | T | 19.8 | Very low | 19.6 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | -152.3 | 132.1 | 129.5 | 20.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 998 | P | 19.7 | Very low | 19.6 | Very low | 110 Ų | 110 | 141 Ų | 141 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | trans | -97.3 | 168.7 | 177.9 | 37.5 | -34.1 | 0 | 0 | 0 | 113.1 | ||||
| 999 | N | 18.9 | Very low | 19.5 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | 65.3 | 101.4 | 167.5 | -60.7 | -19.1 | 0 | 0 | 0 | 117.8 | ||||
| 1000 | V | 20 | Very low | 19.3 | Very low | 146 Ų | 146 | 140.2 Ų | 140.2 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | -149.9 | 124.2 | 100 | 174.2 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 1001 | S | 18.6 | Very low | 19.2 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -99.9 | 122.4 | 176.8 | 54.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1002 | A | 19.5 | Very low | 19 | Very low | 85 Ų | 85 | 140.9 Ų | 140.9 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | trans | -143 | 76.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1003 | T | 18.1 | Very low | 19 | Very low | 132 Ų | 132 | 143 Ų | 143 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | 24.7 | 96.5 | 148.4 | 53.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1004 | C | 17.3 | Very low | 18.9 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -97.6 | 127.7 | 146 | -83.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1005 | V | 17.7 | Very low | 18.8 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 68% | 0.679 | 80% | 0.801 | S | S | * | * | trans | -108.4 | 114.1 | -179.1 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | F1007 | V1005-F1007 HydrophobicContact CG1-CD2 4.49Å; V1005-F1007 HydrophobicContact CG1-CE2 4.21Å | ||
| 1006 | N | 17.8 | Very low | 18.8 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -75.3 | 127.5 | 178.6 | -66.1 | -29.5 | 0 | 0 | 0 | 110.9 | ||||
| 1007 | F | 17.3 | Very low | 18.8 | Very low | 172 Ų | 172 | 137.1 Ų | 137.1 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -106.6 | 112.5 | 170.9 | -90.2 | -72.5 | 0 | 0 | 0 | 112.2 | V1005 | V1005-F1007 HydrophobicContact CG1-CD2 4.49Å; V1005-F1007 HydrophobicContact CG1-CE2 4.21Å | ||
| 1008 | F | 20.8 | Very low | 18.8 | Very low | 185 Ų | 185 | 139 Ų | 139 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | 71.5 | 116 | 162.8 | -70.1 | -70.8 | 0 | 0 | 0 | 121.3 | ||||
| 1009 | P | 19.9 | Very low | 18.8 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | trans | -92.5 | 155.7 | 167.9 | 36.9 | -33.3 | 0 | 0 | 0 | 112.9 | K1011 | P1009-K1011 PolarHBondContact O-N 2.86Š| ||
| 1010 | N | 17.2 | Very low | 18.9 | Very low | 171 Ų | 171 | 136.2 Ų | 136.2 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | trans | -61.2 | 124.5 | 165.6 | -82.6 | -26.8 | 0 | 0 | 0 | 111.3 | ||||
| 1011 | K | 19.5 | Very low | 18.9 | Very low | 195 Ų | 195 | 134.6 Ų | 134.6 | 85% | 0.848 | 80% | 0.796 | S | S | * | * | trans | -136.2 | 109.1 | 155.7 | -86.4 | -170.9 | 174.7 | -178.9 | 0 | 109.9 | P1009 | P1009-K1011 PolarHBondContact O-N 2.86Š| ||
| 1012 | S | 17.7 | Very low | 19 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -66.3 | 134.6 | 155.9 | 43.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 1013 | L | 19.2 | Very low | 19 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -145.7 | 143.3 | 157.9 | -144.9 | 78.6 | 0 | 0 | 0 | 109.8 | ||||
| 1014 | S | 18.5 | Very low | 19.2 | Very low | 91 Ų | 91 | 135.2 Ų | 135.2 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | trans | -76.9 | 150.1 | -166.8 | 38.8 | 0 | 0 | 0 | 0 | 114 | T1016 | S1014-T1016 PolarHBondContact O-N 2.81Š| ||
| 1015 | T | 17.9 | Very low | 19.3 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -56 | 121.4 | 156.8 | 38.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1016 | T | 19.9 | Very low | 19.4 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -128.7 | 132.9 | 162.3 | 27.2 | 0 | 0 | 0 | 0 | 109.8 | S1014 | S1014-T1016 PolarHBondContact O-N 2.81Š| ||
| 1017 | S | 20.3 | Very low | 19.5 | Very low | 112 Ų | 112 | 136.7 Ų | 136.7 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -72 | 124.9 | -173.2 | 35.8 | 0 | 0 | 0 | 0 | 111.9 | S1019 | S1017-S1019 PolarHBondContact O-N 2.74Š| ||
| 1018 | L | 19.7 | Very low | 19.7 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 96% | 0.958 | 80% | 0.803 | S | S | * | * | trans | -74.4 | 104.9 | 164.6 | -81.5 | 153.5 | 0 | 0 | 0 | 109.3 | ||||
| 1019 | S | 19.6 | Very low | 19.6 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | trans | -106.4 | 129.2 | 167.6 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | S1017 | S1017-S1019 PolarHBondContact O-N 2.74Š| ||
| 1020 | S | 19.8 | Very low | 19.7 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | 17.3 | 125.4 | 152.4 | 57.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1021 | S | 20.5 | Very low | 19.8 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | 172.9 | 166.3 | 100.2 | 52.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1022 | S | 21.4 | Very low | 20 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 69.3 | 98.6 | 165.9 | 65.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1023 | S | 19.5 | Very low | 20.2 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -59.2 | 154.6 | 144.2 | 47.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1024 | P | 21.6 | Very low | 20.4 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | -131.1 | 154.9 | 120.3 | 35.4 | -27.5 | 0 | 0 | 0 | 113.4 | |||||
| 1025 | S | 19 | Very low | 20.5 | Very low | 106 Ų | 106 | 138.9 Ų | 138.9 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -70.8 | 145.5 | -178.2 | 41.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1026 | F | 20.7 | Very low | 20.8 | Very low | 216 Ų | 216 | 137.9 Ų | 137.9 | 95% | 0.947 | 80% | 0.803 | S | S | * | * | trans | -141.4 | 136.1 | 146.6 | -112.6 | -79.4 | 0 | 0 | 0 | 111.3 | ||||
| 1027 | S | 18.5 | Very low | 20.9 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -115.6 | 132.9 | -170.4 | 52.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1028 | T | 22.2 | Very low | 20.9 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | -160.9 | 108.3 | 157.3 | 23.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 1029 | K | 19.1 | Very low | 21 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | 67.4 | 104.1 | 93.9 | -76.9 | -173.7 | 176 | 179.2 | 0 | 114.6 | |||||
| 1030 | F | 21.6 | Very low | 21.1 | Very low | 202 Ų | 202 | 136.1 Ų | 136.1 | 89% | 0.886 | 81% | 0.808 | S | S | * | * | trans | 164.7 | 87.1 | 138.6 | -92.7 | -66.6 | 0 | 0 | 0 | 106.6 | ||||
| 1031 | S | 19.3 | Very low | 21.2 | Very low | 93 Ų | 93 | 135.4 Ų | 135.4 | 65% | 0.65 | 81% | 0.809 | S | S | * | * | 56.5 | 85.3 | 72.2 | 82.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1032 | H | 24.6 | Very low | 21.2 | Very low | 195 Ų | 195 | 138.2 Ų | 138.2 | 90% | 0.903 | 81% | 0.812 | S | S | * | * | trans | -139 | 122.7 | 142.4 | -107.4 | -77.2 | 0 | 0 | 0 | 109.6 | ||||
| 1033 | N | 20.7 | Very low | 21.2 | Very low | 148 Ų | 148 | 140.7 Ų | 140.7 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -79 | 144.1 | 178.5 | -64.4 | -33.3 | 0 | 0 | 0 | 110.6 | ||||
| 1034 | L | 23 | Very low | 21.3 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -144.4 | 131 | 133.8 | -101.3 | 170.5 | 0 | 0 | 0 | 108.4 | ||||
| 1035 | T | 22.1 | Very low | 21.3 | Very low | 124 Ų | 124 | 141 Ų | 141 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 158.9 | -164.1 | 32 | 0 | 0 | 0 | 0 | 114.1 | ||
| 1036 | P | 23.8 | Very low | 21.4 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 155.5 | -170.5 | 35 | -36.6 | 0 | 0 | 0 | 113.9 | ||
| 1037 | L | 22.1 | Very low | 21.3 | Very low | 180 Ų | 180 | 134.4 Ų | 134.4 | 94% | 0.942 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 142.3 | 161.9 | -92.8 | 157.3 | 0 | 0 | 0 | 110.5 | ||
| 1038 | S | 20.6 | Very low | 21.5 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -104.8 | 155.9 | -165.3 | 59.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1039 | A | 20.8 | Very low | 21.5 | Very low | 101 Ų | 101 | 138.3 Ų | 138.3 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | 66.7 | 101.8 | 140.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1040 | A | 22.7 | Very low | 21.7 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 79% | 0.793 | 79% | 0.791 | S | S | * | * | -151.9 | 104.8 | 129 | 0 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 1041 | A | 22 | Very low | 21.6 | Very low | 92 Ų | 92 | 133 Ų | 133 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | 60.4 | 87.6 | 84.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1042 | M | 19.6 | Very low | 21.7 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 84% | 0.837 | 80% | 0.804 | S | S | * | * | 63.5 | 99.2 | 87.7 | -76.1 | -72.6 | 144 | 0 | 0 | 114.3 | |||||
| 1043 | L | 21.1 | Very low | 21.5 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -142.8 | 89.6 | 156.7 | -112.7 | 170.5 | 0 | 0 | 0 | 110 | L1045 | L1043-L1045 HydrophobicContact CD2-CD1 3.97Š| ||
| 1044 | P | 21.9 | Very low | 21.4 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 68% | 0.682 | 81% | 0.806 | S | S | * | * | trans | -101.8 | 114.4 | 170 | 33.5 | -24 | 0 | 0 | 0 | 111 | ||||
| 1045 | L | 21.9 | Very low | 21.3 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | trans | -102.2 | 122.9 | 154.3 | -77.6 | 93 | 0 | 0 | 0 | 105.9 | L1043 | L1043-L1045 HydrophobicContact CD2-CD1 3.97Š| ||
| 1046 | S | 20.2 | Very low | 21.2 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | 53.9 | 128.8 | 58.6 | 81.8 | 0 | 0 | 0 | 0 | 113 | |||||
| 1047 | S | 19.9 | Very low | 20.9 | Very low | 91 Ų | 91 | 141.2 Ų | 141.2 | 64% | 0.636 | 81% | 0.807 | S | S | * | * | cis | 176.3 | 155.9 | -6.5 | 46.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1048 | Q | 21.8 | Very low | 20.8 | Very low | 188 Ų | 188 | 142.6 Ų | 142.6 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | 67.3 | 150.6 | 175.8 | -41.4 | 172.6 | -11.8 | 0 | 0 | 112.7 | ||||
| 1049 | T | 23.6 | Very low | 20.8 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | cis | -134.5 | 161.7 | -6.5 | 45 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1050 | S | 23.4 | Very low | 20.9 | Very low | 110 Ų | 110 | 144.7 Ų | 144.7 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | cis | -164.2 | 166.7 | 0.3 | 32.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1051 | L | 19.4 | Very low | 20.7 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | trans | -74.2 | 139 | 172.9 | -69.3 | 87.7 | 0 | 0 | 0 | 112.2 | ||||
| 1052 | C | 20.1 | Very low | 20.7 | Very low | 137 Ų | 137 | 153.1 Ų | 153.1 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | trans | -141.5 | 148.8 | 146.9 | -124.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1053 | R | 20.5 | Very low | 20.7 | Very low | 238 Ų | 238 | 151.8 Ų | 151.8 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -86.8 | 158.3 | -156.3 | -72.3 | 176.1 | 171.4 | 165.6 | -4.1 | 114.9 | ||||
| 1054 | H | 19.1 | Very low | 20.6 | Very low | 181 Ų | 181 | 149.4 Ų | 149.4 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -45.4 | 139.2 | 162.6 | -63.6 | -101.4 | 0 | 0 | 0 | 113.3 | ||||
| 1055 | H | 20.7 | Very low | 20.5 | Very low | 198 Ų | 198 | 153.4 Ų | 153.4 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | trans | -145.4 | 144.9 | 134.2 | -99.7 | -76.2 | 0 | 0 | 0 | 109.5 | ||||
| 1056 | S | 20 | Very low | 20.4 | Very low | 100 Ų | 100 | 151.6 Ų | 151.6 | 70% | 0.699 | 82% | 0.821 | S | S | * | * | trans | -101.8 | 149.7 | -170.1 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1057 | M | 18.3 | Very low | 20.4 | Very low | 178 Ų | 178 | 155 Ų | 155 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | trans | 45.9 | 110.1 | 151.7 | -69.7 | -175.3 | 165.9 | 0 | 0 | 118.9 | ||||
| 1058 | F | 20 | Very low | 20.4 | Very low | 209 Ų | 209 | 159.3 Ų | 159.3 | 92% | 0.917 | 84% | 0.839 | S | S | * | * | trans | -149.9 | 124.1 | 133.7 | -103.3 | -74.6 | 0 | 0 | 0 | 110.1 | ||||
| 1059 | T | 19.8 | Very low | 20.3 | Very low | 132 Ų | 132 | 156.4 Ų | 156.4 | 81% | 0.81 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 120.6 | 168.8 | 43.5 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1060 | P | 22.4 | Very low | 20.3 | Very low | 119 Ų | 119 | 160.1 Ų | 160.1 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -90 | 120.7 | 176.5 | 32.6 | -29.8 | 0 | 0 | 0 | 111.5 | ||
| 1061 | S | 19.2 | Very low | 20.2 | Very low | 108 Ų | 108 | 158.1 Ų | 158.1 | 76% | 0.755 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 124.4 | 161.9 | 51.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 1062 | W | 21.6 | Very low | 20.2 | Very low | 257 Ų | 257 | 155.5 Ų | 155.5 | 97% | 0.973 | 84% | 0.835 | S | S | * | * | trans | -101.3 | 105.5 | 173 | -95.5 | -25.4 | 0 | 0 | 0 | 111.5 | ||||
| 1063 | D | 19.4 | Very low | 20.5 | Very low | 142 Ų | 142 | 155.7 Ų | 155.7 | 76% | 0.759 | 83% | 0.832 | S | S | * | * | trans | -77.6 | 167.6 | 156.2 | -82.5 | -49.1 | 0 | 0 | 0 | 111.3 | ||||
| 1064 | S | 20.5 | Very low | 20.5 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | 74.6 | 92.2 | 162.4 | 71.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1065 | L | 19.2 | Very low | 20.7 | Very low | 188 Ų | 188 | 151 Ų | 151 | 98% | 0.984 | 83% | 0.83 | S | S | * | * | trans | -132.8 | 124.3 | 138 | -89.7 | 178 | 0 | 0 | 0 | 110.1 | ||||
| 1066 | S | 19.4 | Very low | 20.8 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -112.4 | 127.2 | -172.9 | 57.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1067 | L | 20.8 | Very low | 20.9 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 87% | 0.869 | 82% | 0.821 | S | S | * | * | trans | -126.6 | 108.3 | 159.2 | -110.9 | 74.4 | 0 | 0 | 0 | 106.5 | ||||
| 1068 | K | 20 | Very low | 21.2 | Very low | 182 Ų | 182 | 147.7 Ų | 147.7 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | 50.6 | 92 | 87.2 | -72.5 | -169.8 | 175.2 | -177.7 | 0 | 112.5 | |||||
| 1069 | T | 19.7 | Very low | 21.3 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | 75.3 | 82.4 | 77.5 | 62.6 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 1070 | E | 23 | Very low | 21.3 | Very low | 204 Ų | 204 | 144.1 Ų | 144.1 | 95% | 0.953 | 82% | 0.815 | S | S | * | * | trans | -140.5 | 149.9 | 142.5 | -63.8 | -172.6 | 164 | 0 | 0 | 105.4 | ||||
| 1071 | G | 21.3 | Very low | 21.3 | Very low | 68 Ų | 68 | 149.9 Ų | 149.9 | 70% | 0.701 | 82% | 0.821 | S | S | * | * | cis | 162.3 | 84 | 0.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1072 | S | 20 | Very low | 21.4 | Very low | 116 Ų | 116 | 150.6 Ų | 150.6 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | 24.1 | 130.4 | 164 | 60.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1073 | V | 25.1 | Very low | 21.4 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | -159.5 | 142.5 | 118.3 | 139.8 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1074 | L | 20.2 | Very low | 21.5 | Very low | 156 Ų | 156 | 147 Ų | 147 | 82% | 0.817 | 82% | 0.821 | S | S | * | * | trans | -71.7 | 142.2 | 173.7 | -94.5 | 64 | 0 | 0 | 0 | 110.4 | ||||
| 1075 | D | 25.2 | Very low | 21.6 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | -154.2 | 160.2 | 114.6 | -128.3 | -29.9 | 0 | 0 | 0 | 113.8 | |||||
| 1076 | S | 21.1 | Very low | 21.7 | Very low | 99 Ų | 99 | 153.9 Ų | 153.9 | 69% | 0.692 | 82% | 0.822 | S | S | * | * | trans | -103.4 | 138.7 | -162.2 | 64.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1077 | S | 22.8 | Very low | 21.7 | Very low | 106 Ų | 106 | 154.4 Ų | 154.4 | 74% | 0.741 | 83% | 0.825 | S | S | * | * | 161.4 | 158.4 | 119.6 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1078 | K | 23.7 | Very low | 21.8 | Very low | 202 Ų | 202 | 154 Ų | 154 | 88% | 0.878 | 82% | 0.821 | S | S | * | * | trans | 73.2 | 84.9 | 170.3 | -61.9 | -176.1 | -179.6 | 176.5 | 0 | 117.2 | ||||
| 1079 | S | 22.8 | Very low | 21.9 | Very low | 107 Ų | 107 | 157 Ų | 157 | 75% | 0.748 | 83% | 0.827 | S | S | * | * | trans | -55.3 | 136.2 | 169.3 | 53.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1080 | N | 20.1 | Very low | 22 | Very low | 159 Ų | 159 | 154.6 Ų | 154.6 | 85% | 0.85 | 83% | 0.828 | S | S | * | * | trans | -63.8 | 146.1 | 145.2 | -84.5 | -44.5 | 0 | 0 | 0 | 110.5 | ||||
| 1081 | R | 21.7 | Very low | 21.8 | Very low | 240 Ų | 240 | 156.1 Ų | 156.1 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | -136.4 | 68 | 173.7 | -142.6 | 179.5 | -166.1 | -176.8 | 4.3 | 112.8 | ||||
| 1082 | T | 21.5 | Very low | 21.9 | Very low | 124 Ų | 124 | 160.7 Ų | 160.7 | 76% | 0.761 | 83% | 0.832 | S | S | * | * | trans | -98 | 103.6 | 163.7 | 41.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1083 | N | 22.3 | Very low | 21.9 | Very low | 153 Ų | 153 | 162 Ų | 162 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -167.4 | 152.7 | 169.1 | -106.4 | -44.9 | 0 | 0 | 0 | 112.2 | ||||
| 1084 | L | 21.7 | Very low | 21.8 | Very low | 171 Ų | 171 | 159.9 Ų | 159.9 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | 70.6 | 129.1 | -172.1 | -54.2 | 133.2 | 0 | 0 | 0 | 112.2 | ||||
| 1085 | R | 21.7 | Very low | 21.8 | Very low | 243 Ų | 243 | 156.9 Ų | 156.9 | 92% | 0.917 | 81% | 0.813 | S | S | * | * | cis | -145.5 | 130.4 | 31.6 | -160.2 | 175.3 | -168 | 153.4 | -0.4 | 111.2 | ||||
| 1086 | K | 21.1 | Very low | 21.8 | Very low | 201 Ų | 201 | 156 Ų | 156 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -88.4 | 158.7 | 164.8 | -87 | -175.5 | 175.4 | 178.3 | 0 | 110.3 | ||||
| 1087 | S | 20.9 | Very low | 22 | Very low | 113 Ų | 113 | 158.5 Ų | 158.5 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | 74.5 | 119.6 | 151.1 | -164.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1088 | M | 22.5 | Very low | 22 | Very low | 159 Ų | 159 | 158.2 Ų | 158.2 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | -164.1 | 128 | 108.6 | -97.1 | -159.6 | -161.6 | 0 | 0 | 112.4 | |||||
| 1089 | R | 21.5 | Very low | 22.3 | Very low | 244 Ų | 244 | 153.5 Ų | 153.5 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | 58.8 | 149.4 | 151.6 | -57.5 | 179.1 | 177.3 | -149.3 | -2.2 | 118.2 | ||||
| 1090 | G | 21.9 | Very low | 22.3 | Very low | 77 Ų | 77 | 156.7 Ų | 156.7 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | cis | -174.1 | 151.4 | -3.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1091 | R | 18 | Very low | 22.5 | Very low | 235 Ų | 235 | 158.8 Ų | 158.8 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | -126.1 | 122.1 | -168.3 | -179.1 | -170.9 | -165.4 | 170.4 | 5.2 | 108.9 | ||||
| 1092 | I | 23.7 | Very low | 22.4 | Very low | 165 Ų | 165 | 155.2 Ų | 155.2 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | -140 | 135.2 | 173.6 | -60.2 | -176.5 | 0 | 0 | 0 | 109.2 | ||||
| 1093 | N | 20.7 | Very low | 22.5 | Very low | 142 Ų | 142 | 154.6 Ų | 154.6 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | trans | -112.6 | 146.9 | 174.4 | -64.4 | -8.8 | 0 | 0 | 0 | 109.9 | ||||
| 1094 | S | 23 | Very low | 22.5 | Very low | 99 Ų | 99 | 155.5 Ų | 155.5 | 69% | 0.692 | 81% | 0.805 | S | S | * | * | trans | 173.5 | 126.3 | 149 | 23 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 1095 | S | 20.5 | Very low | 22.6 | Very low | 93 Ų | 93 | 153.8 Ų | 153.8 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | 71.6 | 145.6 | 51.5 | 82.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1096 | D | 25 | Very low | 22.7 | Very low | 144 Ų | 144 | 148.5 Ų | 148.5 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 78.2 | 142.1 | 175.7 | -37 | -22.9 | 0 | 0 | 0 | 113.4 | ||||
| 1097 | D | 24.2 | Very low | 22.7 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | cis | -150.5 | 177.3 | -1.4 | -141.8 | -29.6 | 0 | 0 | 0 | 112.1 | ||||
| 1098 | S | 23.5 | Very low | 22.9 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -107.1 | -153.3 | -174.6 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1099 | P | 30.6 | Very low | 23 | Very low | 103 Ų | 103 | 149 Ų | 149 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | -113.3 | 173.8 | -101.6 | 39.6 | -26 | 0 | 0 | 0 | 113.7 | |||||
| 1100 | Q | 22.5 | Very low | 23 | Very low | 174 Ų | 174 | 140.4 Ų | 140.4 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | 175.7 | 129.2 | 143.1 | -100.9 | 157.9 | 48.8 | 0 | 0 | 112.1 | ||||
| 1101 | F | 23 | Very low | 23 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 89% | 0.886 | 78% | 0.777 | S | S | * | * | -169.1 | 140 | 111.4 | -113.4 | -78.3 | 0 | 0 | 0 | 111 | |||||
| 1102 | L | 20.3 | Very low | 23.1 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -123.4 | 128.7 | -176.5 | -92.5 | 156 | 0 | 0 | 0 | 109.9 | ||||
| 1103 | S | 24.2 | Very low | 23.2 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -167.6 | 124.7 | 144.6 | 54 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1104 | Q | 21.5 | Very low | 23.2 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | cis | 79 | 140.3 | 39.3 | -159.2 | 171.5 | 12.1 | 0 | 0 | 113.2 | ||||
| 1105 | N | 24.5 | Very low | 23.3 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | 96 | 128.4 | -172 | -54.6 | 4.8 | 0 | 0 | 0 | 110.5 | ||||
| 1106 | D | 23 | Very low | 23.4 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | cis | 154.5 | 114.5 | 16.4 | -96.1 | -28.6 | 0 | 0 | 0 | 101.5 | ||||
| 1107 | S | 22.2 | Very low | 23.2 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | 60.8 | 107 | 87.8 | 77 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1108 | D | 23.8 | Very low | 23.2 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | 174.6 | 160.3 | 122.6 | -110.2 | -16.1 | 0 | 0 | 0 | 115.6 | |||||
| 1109 | R | 25 | Very low | 23.1 | Very low | 240 Ų | 240 | 136.7 Ų | 136.7 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | 71.2 | 139.8 | 168.5 | -38.5 | -164.7 | 177.6 | 175.2 | -1.9 | 117.1 | ||||
| 1110 | G | 21.3 | Very low | 22.8 | Very low | 65 Ų | 65 | 139.8 Ų | 139.8 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | cis | 153 | 89.8 | -0.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1111 | I | 21.7 | Very low | 22.8 | Very low | 180 Ų | 180 | 136.5 Ų | 136.5 | 92% | 0.923 | 79% | 0.789 | S | S | * | * | trans | 48.3 | 129 | 130.7 | -60.1 | 167 | 0 | 0 | 0 | 120.4 | ||||
| 1112 | G | 21.7 | Very low | 22.9 | Very low | 63 Ų | 63 | 135 Ų | 135 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | trans | 112.7 | 148.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1113 | T | 25 | Very low | 22.8 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | cis | -152.9 | 142.5 | -5.4 | 42.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1114 | T | 21.8 | Very low | 22.7 | Very low | 124 Ų | 124 | 139 Ų | 139 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | trans | -49.2 | 144.3 | 163.8 | 48.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1115 | N | 24.6 | Very low | 22.7 | Very low | 175 Ų | 175 | 136.7 Ų | 136.7 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | trans | 178.9 | 150.3 | 145.9 | -87.3 | -26.7 | 0 | 0 | 0 | 107.9 | ||||
| 1116 | G | 21.1 | Very low | 22.6 | Very low | 71 Ų | 71 | 138.5 Ų | 138.5 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | cis | 159.2 | 114.1 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1117 | A | 22.7 | Very low | 22.4 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 83% | 0.826 | 81% | 0.81 | S | S | * | * | trans | 75.8 | 140.7 | 154.1 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1118 | N | 22.5 | Very low | 22.3 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 74% | 0.738 | 82% | 0.82 | S | S | * | * | trans | 79 | 103 | 141.7 | -90.4 | -13.9 | 0 | 0 | 0 | 124.2 | ||||
| 1119 | N | 22.2 | Very low | 22.1 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 74% | 0.738 | 82% | 0.817 | S | S | * | * | 30.9 | 123.4 | 109.7 | -66.5 | -31.6 | 0 | 0 | 0 | 119.3 | |||||
| 1120 | N | 25.1 | Very low | 21.9 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 90% | 0.898 | 81% | 0.809 | S | S | * | * | -155.9 | 130.8 | 123.8 | -110.5 | -29.9 | 0 | 0 | 0 | 112.9 | |||||
| 1121 | S | 22.7 | Very low | 22 | Very low | 104 Ų | 104 | 141.4 Ų | 141.4 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | -86.6 | 141.4 | 169.9 | 54.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1122 | N | 23.1 | Very low | 22 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | trans | -149.6 | 153.1 | 152 | -113.4 | -29.8 | 0 | 0 | 0 | 113.6 | ||||
| 1123 | R | 19.3 | Very low | 22 | Very low | 226 Ų | 226 | 145.5 Ų | 145.5 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | trans | -127.8 | 108.9 | -158.1 | -179 | -167.8 | -159.9 | 176.6 | 6.7 | 109.1 | ||||
| 1124 | C | 21.8 | Very low | 21.9 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 92% | 0.919 | 82% | 0.823 | S | S | * | * | trans | -119.4 | 116.3 | 173.3 | -77.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1125 | T | 21.5 | Very low | 21.9 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -88.9 | 134.9 | 169.4 | 48.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1126 | N | 21.5 | Very low | 21.8 | Very low | 172 Ų | 172 | 141.2 Ų | 141.2 | 92% | 0.92 | 82% | 0.817 | S | S | * | * | trans | -125.7 | 134.4 | 160.3 | -96.4 | -20.2 | 0 | 0 | 0 | 110.3 | ||||
| 1127 | K | 19.9 | Very low | 21.8 | Very low | 194 Ų | 194 | 146.9 Ų | 146.9 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | -112.2 | 140.6 | 170.8 | -70 | 176 | 172.8 | 179.1 | 0 | 107.9 | ||||
| 1128 | L | 19.9 | Very low | 21.6 | Very low | 164 Ų | 164 | 149.9 Ų | 149.9 | 86% | 0.859 | 82% | 0.821 | S | S | * | * | trans | 174.1 | 114.2 | 141.1 | -112.5 | 83.2 | 0 | 0 | 0 | 105.7 | ||||
| 1129 | V | 20.7 | Very low | 21.6 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | 83.7 | 110.8 | 77.5 | 171.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1130 | N | 20.7 | Very low | 21.4 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | trans | 47.3 | 119.9 | 151.6 | -61 | 11.5 | 0 | 0 | 0 | 122.6 | ||||
| 1131 | S | 22.9 | Very low | 21.2 | Very low | 122 Ų | 122 | 151 Ų | 151 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | -150.4 | 118.2 | 120.8 | 55.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 1132 | D | 21.8 | Very low | 21 | Very low | 146 Ų | 146 | 155.1 Ų | 155.1 | 78% | 0.781 | 83% | 0.827 | S | S | * | * | trans | -84.2 | 139.4 | 174 | -71.3 | -65.3 | 0 | 0 | 0 | 111 | ||||
| 1133 | L | 20.2 | Very low | 20.8 | Very low | 184 Ų | 184 | 158.7 Ų | 158.7 | 96% | 0.963 | 83% | 0.827 | S | S | * | * | trans | -142.9 | 104.1 | 153.8 | -135.1 | 89.3 | 0 | 0 | 0 | 109 | ||||
| 1134 | S | 22.9 | Very low | 20.8 | Very low | 114 Ų | 114 | 156.7 Ų | 156.7 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -88.4 | 140.9 | -165.9 | 56.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1135 | S | 22.7 | Very low | 20.8 | Very low | 100 Ų | 100 | 156.5 Ų | 156.5 | 70% | 0.699 | 82% | 0.82 | S | S | * | * | trans | -73 | 137.8 | 173.5 | 55 | 0 | 0 | 0 | 0 | 113.4 | K1137 | S1135-K1137 PolarHBondContact O-N 2.83Š| ||
| 1136 | P | 22.7 | Very low | 20.7 | Very low | 134 Ų | 134 | 158.8 Ų | 158.8 | 87% | 0.87 | 82% | 0.821 | S | S | * | * | trans | -86.9 | 102.7 | 172.8 | 32.2 | -31.1 | 0 | 0 | 0 | 111.4 | ||||
| 1137 | K | 20 | Very low | 20.7 | Very low | 190 Ų | 190 | 155.5 Ų | 155.5 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | -117.2 | 106.5 | 162 | -84 | -176.7 | 175.9 | 176.3 | 0 | 109.4 | S1135 | S1135-K1137 PolarHBondContact O-N 2.83Š| ||
| 1138 | M | 20.1 | Very low | 20.8 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | -145.2 | 130.2 | 161.3 | -95.2 | -165.9 | 78.1 | 0 | 0 | 114.1 | ||||
| 1139 | L | 21.7 | Very low | 20.8 | Very low | 131 Ų | 131 | 151.3 Ų | 151.3 | 69% | 0.686 | 81% | 0.809 | S | S | * | * | trans | 49.9 | 105.6 | 151 | -88.3 | 64.9 | 0 | 0 | 0 | 121.1 | M1141 | L1139-M1141 PolarHBondContact O-N 3.1Š| ||
| 1140 | L | 18.2 | Very low | 20.8 | Very low | 160 Ų | 160 | 151 Ų | 151 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -50.9 | 127.1 | 135.6 | -128.9 | 82.6 | 0 | 0 | 0 | 110.3 | ||||
| 1141 | M | 21.2 | Very low | 20.7 | Very low | 176 Ų | 176 | 154 Ų | 154 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -135.1 | 108.3 | 161.8 | -151.2 | 178.3 | -162.9 | 0 | 0 | 110.7 | L1139 | L1139-M1141 PolarHBondContact O-N 3.1Š| ||
| 1142 | K | 18.5 | Very low | 20.7 | Very low | 191 Ų | 191 | 154 Ų | 154 | 83% | 0.83 | 81% | 0.809 | S | S | * | * | trans | -71.4 | 126.3 | 176.3 | -72.2 | 174.1 | 175 | 172.3 | 0 | 110.1 | ||||
| 1143 | R | 19.4 | Very low | 20.5 | Very low | 245 Ų | 245 | 152.7 Ų | 152.7 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -134.1 | 113.8 | 152.6 | -105.3 | -179.9 | 174.9 | 167.1 | -1 | 110.4 | ||||
| 1144 | K | 18.9 | Very low | 20.7 | Very low | 184 Ų | 184 | 153.1 Ų | 153.1 | 80% | 0.8 | 81% | 0.805 | S | S | * | * | trans | -80.7 | 137.5 | 164.4 | -73.2 | -178.8 | 170.9 | -172.7 | 0 | 108.5 | ||||
| 1145 | T | 20.9 | Very low | 20.5 | Very low | 133 Ų | 133 | 155.7 Ų | 155.7 | 82% | 0.816 | 80% | 0.802 | S | S | * | * | trans | -140.7 | 112.4 | 153.7 | 44.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1146 | H | 20.7 | Very low | 20.6 | Very low | 170 Ų | 170 | 159 Ų | 159 | 79% | 0.787 | 81% | 0.812 | S | S | * | * | trans | -78 | 137.1 | 165.6 | -70.7 | -98.8 | 0 | 0 | 0 | 108.6 | ||||
| 1147 | S | 21.5 | Very low | 20.5 | Very low | 103 Ų | 103 | 159.9 Ų | 159.9 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | -152.7 | 96 | 159.3 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | V1149 | S1147-V1149 PolarHBondContact O-N 3.08Š| ||
| 1148 | T | 20 | Very low | 20.6 | Very low | 136 Ų | 136 | 156.8 Ų | 156.8 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -62.3 | 126.2 | 166.4 | -43.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1149 | V | 21.1 | Very low | 20.6 | Very low | 134 Ų | 134 | 156.6 Ų | 156.6 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -108.5 | 109.9 | 174 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | S1147 | S1147-V1149 PolarHBondContact O-N 3.08Š| ||
| 1150 | T | 20.7 | Very low | 20.7 | Very low | 113 Ų | 113 | 154 Ų | 154 | 69% | 0.693 | 81% | 0.813 | S | S | * | * | trans | -79.9 | 145.8 | -176.2 | -36.5 | 0 | 0 | 0 | 0 | 111.3 | V1152 | T1150-V1152 PolarHBondContact O-N 2.88Š| ||
| 1151 | F | 18.4 | Very low | 21.1 | Very low | 205 Ų | 205 | 153 Ų | 153 | 90% | 0.899 | 81% | 0.813 | S | S | * | * | trans | -56.9 | 126.8 | 166.6 | -78.2 | -101.8 | 0 | 0 | 0 | 110.6 | ||||
| 1152 | V | 22.2 | Very low | 21.2 | Very low | 122 Ų | 122 | 152.1 Ų | 152.1 | 74% | 0.739 | 81% | 0.811 | S | S | * | * | trans | -127.2 | 112.9 | 166.2 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | T1150 | T1150-V1152 PolarHBondContact O-N 2.88Š| ||
| 1153 | S | 18.8 | Very low | 21.7 | Very low | 117 Ų | 117 | 154.4 Ų | 154.4 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -68.2 | 130.1 | 171.2 | 45.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1154 | K | 23.1 | Very low | 21.9 | Very low | 194 Ų | 194 | 150.6 Ų | 150.6 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | trans | -118.9 | 106.3 | 163 | -85.5 | -170.8 | 173 | -178 | 0 | 109.9 | ||||
| 1155 | K | 20.3 | Very low | 22.3 | Very low | 167 Ų | 167 | 151.7 Ų | 151.7 | 73% | 0.726 | 82% | 0.818 | S | S | * | * | trans | -51.6 | 144.7 | 156 | -65.1 | 179.7 | 168.8 | -163.8 | 0 | 109 | ||||
| 1156 | N | 23.5 | Very low | 22.3 | Very low | 170 Ų | 170 | 155 Ų | 155 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -144.5 | 108.3 | 148.7 | -102.2 | -9.2 | 0 | 0 | 0 | 108.2 | ||||
| 1157 | E | 20.5 | Very low | 22.5 | Very low | 152 Ų | 152 | 152.3 Ų | 152.3 | 71% | 0.71 | 82% | 0.824 | S | S | * | * | trans | -86.7 | 129.5 | 171 | -65.3 | 152.7 | 161.9 | 0 | 0 | 108.1 | ||||
| 1158 | C | 22.5 | Very low | 22.6 | Very low | 126 Ų | 126 | 156 Ų | 156 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | trans | -160.6 | 97 | 161.6 | -92.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1159 | N | 21.7 | Very low | 22.8 | Very low | 160 Ų | 160 | 156.7 Ų | 156.7 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | 64 | 99.1 | 82.6 | -78.3 | -10.6 | 0 | 0 | 0 | 115.6 | |||||
| 1160 | G | 21.9 | Very low | 22.9 | Very low | 77 Ų | 77 | 159.2 Ų | 159.2 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | 79.8 | 122.3 | 131.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1161 | V | 28.3 | Very low | 23.1 | Very low | 139 Ų | 139 | 159.8 Ų | 159.8 | 84% | 0.842 | 83% | 0.834 | S | S | * | * | -172.2 | 127.5 | 123.2 | 147.8 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 1162 | D | 22.7 | Very low | 23.3 | Very low | 156 Ų | 156 | 157.7 Ų | 157.7 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -69.5 | 136 | 174.6 | -62.5 | -74.6 | 0 | 0 | 0 | 112.8 | ||||
| 1163 | R | 29.5 | Very low | 23.3 | Very low | 240 Ų | 240 | 155.9 Ų | 155.9 | 91% | 0.906 | 82% | 0.824 | S | S | * | * | trans | -144.7 | 112.6 | 146 | -74.8 | -158.2 | 171.7 | 178.5 | -1.9 | 112.2 | K1165 | R1163-K1165 PolarHBondContact O-N 3.4Š| ||
| 1164 | N | 23 | Very low | 23.5 | Very low | 164 Ų | 164 | 159.6 Ų | 159.6 | 88% | 0.877 | 83% | 0.829 | S | S | * | * | trans | -59 | 129 | 167.4 | -72.9 | -48 | 0 | 0 | 0 | 111.7 | ||||
| 1165 | K | 26.6 | Very low | 23.5 | Very low | 207 Ų | 207 | 158.3 Ų | 158.3 | 90% | 0.9 | 83% | 0.826 | S | S | * | * | trans | -157.2 | 131.3 | 142.9 | -112.9 | 175.6 | -175 | -174.3 | 0 | 110.5 | R1163 | R1163-K1165 PolarHBondContact O-N 3.4Š| ||
| 1166 | Q | 22.2 | Very low | 23.8 | Very low | 202 Ų | 202 | 158.1 Ų | 158.1 | 94% | 0.944 | 83% | 0.833 | S | S | * | * | trans | -78.2 | 122.5 | 178.2 | -67.9 | 162.2 | -50.5 | 0 | 0 | 110.6 | ||||
| 1167 | S | 23.9 | Very low | 23.6 | Very low | 115 Ų | 115 | 158.2 Ų | 158.2 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -155.5 | 133.9 | 148.8 | 53.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1168 | Q | 24 | Very low | 23.7 | Very low | 181 Ų | 181 | 160 Ų | 160 | 85% | 0.846 | 84% | 0.838 | S | S | * | * | trans | -77.8 | 150.3 | -165.9 | -65.8 | 171.8 | -23.4 | 0 | 0 | 113.2 | ||||
| 1169 | N | 23.6 | Very low | 23.6 | Very low | 149 Ų | 149 | 162.4 Ų | 162.4 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | trans | 20.6 | 141.7 | 135.5 | -58.8 | -24.6 | 0 | 0 | 0 | 119.6 | ||||
| 1170 | K | 24.7 | Very low | 23.6 | Very low | 187 Ų | 187 | 163 Ų | 163 | 81% | 0.813 | 84% | 0.841 | S | S | * | * | cis | -174.6 | 136.8 | -14.4 | -159 | 177.1 | -173.5 | -175.9 | 0 | 105.2 | ||||
| 1171 | P | 24 | Very low | 23.6 | Very low | 125 Ų | 125 | 166.5 Ų | 166.5 | 81% | 0.812 | 84% | 0.842 | S | S | * | * | trans | -81.8 | 145.6 | -177.4 | 32.3 | -34.5 | 0 | 0 | 0 | 112.5 | ||||
| 1172 | L | 22 | Very low | 23.4 | Very low | 162 Ų | 162 | 165.9 Ų | 165.9 | 85% | 0.848 | 84% | 0.84 | S | S | * | * | trans | -148.2 | 117.1 | 166.7 | -110.7 | 159.7 | 0 | 0 | 0 | 109.9 | ||||
| 1173 | S | 22.9 | Very low | 23.4 | Very low | 83 Ų | 83 | 164.9 Ų | 164.9 | 58% | 0.58 | 84% | 0.84 | S | S | * | * | trans | 31.9 | 117.1 | 157.6 | 58.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1174 | E | 22.3 | Very low | 23.2 | Very low | 195 Ų | 195 | 157.8 Ų | 157.8 | 91% | 0.911 | 83% | 0.833 | S | S | * | * | 49.3 | 87.2 | 125.8 | -61.1 | 175.2 | 154.1 | 0 | 0 | 117.9 | |||||
| 1175 | Q | 24 | Very low | 23.2 | Very low | 167 Ų | 167 | 157.7 Ų | 157.7 | 78% | 0.78 | 83% | 0.832 | S | S | * | * | trans | -115.6 | -3.7 | 165.2 | -74.5 | -169.1 | -36.2 | 0 | 0 | 114.6 | L1177 | Q1175-L1177 VanDerWaalsContact C-N 3.28Å; Q1175-L1177 PolarHBondContact O-N 2.8Å; Q1175-L1177 VanDerWaalsContact O-N 3.09Å | ||
| 1176 | D | 25.9 | Very low | 23 | Very low | 164 Ų | 164 | 151.4 Ų | 151.4 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | 35.7 | -171.1 | -65.7 | -34.4 | 0 | 0 | 0 | 115 | ||
| 1177 | L | 20.4 | Very low | 23.1 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.9 | 34.5 | 169.9 | -137.8 | 96.7 | 0 | 0 | 0 | 114.2 | Q1175 | Q1175-L1177 VanDerWaalsContact C-N 3.28Å; Q1175-L1177 PolarHBondContact O-N 2.8Å; Q1175-L1177 VanDerWaalsContact O-N 3.09Å |
| 1178 | F | 20.9 | Very low | 22.9 | Very low | 191 Ų | 191 | 155.8 Ų | 155.8 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | trans | -112.3 | 84.9 | 170.7 | -93 | -80.9 | 0 | 0 | 0 | 111.8 | ||||
| 1179 | M | 21.3 | Very low | 22.8 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 86% | 0.862 | 82% | 0.816 | S | S | * | * | trans | -149.7 | 85.6 | 162.7 | -78.3 | -56.6 | -72.3 | 0 | 0 | 110.8 | ||||
| 1180 | L | 22.6 | Very low | 22.6 | Very low | 173 Ų | 173 | 150.9 Ų | 150.9 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -172 | 117.4 | 150.4 | -102.7 | 164.2 | 0 | 0 | 0 | 108.5 | P1182 | L1180-P1182 WeakPolarHBondContact O-CD 3.19Š|
| 1181 | N | 21.1 | Very low | 22.5 | Very low | 151 Ų | 151 | 149.4 Ų | 149.4 | 81% | 0.807 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 127.5 | -167.2 | -70.9 | -29.6 | 0 | 0 | 0 | 114 | ||
| 1182 | P | 23.8 | Very low | 22.3 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 142.1 | 151.9 | 32.8 | -28.7 | 0 | 0 | 0 | 110.1 | L1180 | L1180-P1182 WeakPolarHBondContact O-CD 3.19Š|
| 1183 | V | 22.3 | Very low | 22.3 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -99 | 124.7 | -176 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1184 | A | 25.3 | Very low | 22.3 | Very low | 91 Ų | 91 | 147.7 Ų | 147.7 | 75% | 0.752 | 82% | 0.817 | S | S | * | * | trans | 55.7 | 96.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | G1186 | A1184-G1186 PolarHBondContact O-N 3.24Š| ||
| 1185 | D | 23.4 | Very low | 22.3 | Very low | 162 Ų | 162 | 145.2 Ų | 145.2 | 87% | 0.866 | 81% | 0.81 | S | S | * | * | trans | -62.6 | 114.6 | 155.7 | -76.9 | -55.6 | 0 | 0 | 0 | 111 | I1187 | D1185-I1187 PolarHBondContact O-N 3.1Š| ||
| 1186 | G | 23.2 | Very low | 22.2 | Very low | 75 Ų | 75 | 144.8 Ų | 144.8 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -74.5 | 107.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | A1184 W1188 | A1184-G1186 PolarHBondContact O-N 3.24Å; G1186-W1188 PolarHBondContact O-N 3.41Å; G1186-W1188 VanDerWaalsContact O-N 3.16Å | ||
| 1187 | I | 24.1 | Very low | 22 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 80% | 0.795 | 80% | 0.803 | S | S | * | * | trans | -58.5 | 116.3 | -174.7 | -65.8 | 167.4 | 0 | 0 | 0 | 111.4 | D1185 A1189 | D1185-I1187 PolarHBondContact O-N 3.1Å; I1187-A1189 VanDerWaalsContact C-N 3.35Å; I1187-A1189 PolarHBondContact O-N 3.45Å | ||
| 1188 | W | 18.7 | Very low | 22 | Very low | 253 Ų | 253 | 140.7 Ų | 140.7 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | trans | -73.4 | 87.2 | 172.1 | -144.8 | -43.2 | 0 | 0 | 0 | 109.3 | G1186 N1190 | G1186-W1188 PolarHBondContact O-N 3.41Å; G1186-W1188 VanDerWaalsContact O-N 3.16Å; W1188-N1190 PolarHBondContact O-N 2.93Å | ||
| 1189 | A | 23.2 | Very low | 22.1 | Very low | 75 Ų | 75 | 138.6 Ų | 138.6 | 62% | 0.62 | 79% | 0.793 | S | S | * | * | trans | -70.4 | 120.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1187 N1191 | I1187-A1189 VanDerWaalsContact C-N 3.35Å; I1187-A1189 PolarHBondContact O-N 3.45Å; A1189-N1191 PolarHBondContact O-N 3.31Å | ||
| 1190 | N | 19.7 | Very low | 22.1 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -63.9 | 112.1 | 172.6 | -73.9 | -44.4 | 0 | 0 | 0 | 110.8 | W1188 | W1188-N1190 PolarHBondContact O-N 2.93Š| ||
| 1191 | N | 21.6 | Very low | 22 | Very low | 156 Ų | 156 | 139.2 Ų | 139.2 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -112 | 81.1 | 157.5 | -91.6 | -27.1 | 0 | 0 | 0 | 109.5 | A1189 S1193 | A1189-N1191 PolarHBondContact O-N 3.31Å; N1191-S1193 PolarHBondContact O-N 3.5Å | ||
| 1192 | S | 20.2 | Very low | 21.9 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -72 | 87 | 167.6 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1193 | S | 22.7 | Very low | 21.8 | Very low | 104 Ų | 104 | 139.1 Ų | 139.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -89.5 | 102.6 | 163 | 50.7 | 0 | 0 | 0 | 0 | 109.8 | N1191 N1195 | N1191-S1193 PolarHBondContact O-N 3.5Å; S1193-N1195 PolarHBondContact O-N 3.46Å; S1193-N1195 VanDerWaalsContact O-N 3.14Å | ||
| 1194 | T | 21.8 | Very low | 21.9 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -63.8 | 107.1 | 174.8 | 48.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 1195 | N | 21.9 | Very low | 21.7 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -118.2 | 89.7 | 162.3 | -94 | -25.4 | 0 | 0 | 0 | 110.1 | S1193 I1197 | S1193-N1195 PolarHBondContact O-N 3.46Å; S1193-N1195 VanDerWaalsContact O-N 3.14Å; N1195-I1197 PolarHBondContact O-N 2.98Å | ||
| 1196 | N | 21.7 | Very low | 21.8 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | trans | -66.3 | 94.7 | 165.8 | -78.4 | -32.9 | 0 | 0 | 0 | 109.4 | ||||
| 1197 | I | 22.4 | Very low | 21.8 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | trans | -122 | 77.7 | 159 | -55.4 | -176.3 | 0 | 0 | 0 | 108.4 | N1195 Q1199 | N1195-I1197 PolarHBondContact O-N 2.98Å; I1197-Q1199 VanDerWaalsContact C-N 3.27Å; I1197-Q1199 HydrophobicContact CG2-CB 4.1Å; I1197-Q1199 HydrophobicContact CG2-CG 3.89Å; I1197-Q1199 PolarHBondContact O-N 3.1Å | ||
| 1198 | S | 20.2 | Very low | 21.9 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -70.5 | 86.4 | 156.3 | 54.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1199 | Q | 24 | Very low | 22.3 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | trans | -112.9 | 126.9 | 162.9 | -82 | -169.9 | -13.7 | 0 | 0 | 110.1 | I1197 F1201 | I1197-Q1199 VanDerWaalsContact C-N 3.27Å; I1197-Q1199 HydrophobicContact CG2-CB 4.1Å; I1197-Q1199 HydrophobicContact CG2-CG 3.89Å; I1197-Q1199 PolarHBondContact O-N 3.1Å; Q1199-F1201 PolarHBondContact O-N 3.48Å | ||
| 1200 | Q | 20.1 | Very low | 22.2 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -66.1 | 112.3 | 175.7 | -63.5 | 160.9 | -80.9 | 0 | 0 | 109.3 | ||||
| 1201 | F | 20.4 | Very low | 22.5 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | -119.2 | 87.1 | 154 | -81.7 | -76.8 | 0 | 0 | 0 | 109.1 | Q1199 I1203 | Q1199-F1201 PolarHBondContact O-N 3.48Å; F1201-I1203 PolarHBondContact O-N 3.44Å; F1201-I1203 VanDerWaalsContact O-N 3.09Å | ||
| 1202 | S | 20.1 | Very low | 22.7 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -66.5 | 96.3 | 161.8 | 49.8 | 0 | 0 | 0 | 0 | 108.6 | S1204 | S1202-S1204 PolarHBondContact O-N 2.84Š| ||
| 1203 | I | 21.9 | Very low | 22.9 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | trans | -76.8 | 109.1 | 165.3 | -65.4 | 176.8 | 0 | 0 | 0 | 106.8 | F1201 | F1201-I1203 PolarHBondContact O-N 3.44Å; F1201-I1203 VanDerWaalsContact O-N 3.09Å | ||
| 1204 | S | 22.7 | Very low | 23 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 55% | 0.552 | 76% | 0.759 | S | S | * | * | trans | -66 | 153.6 | 174.8 | 38.6 | 0 | 0 | 0 | 0 | 111.5 | S1202 D1206 | S1202-S1204 PolarHBondContact O-N 2.84Å; S1204-D1206 PolarHBondContact O-N 2.89Å | ||
| 1205 | S | 22.6 | Very low | 23 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -72.2 | 86.2 | 172.5 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | L1207 | S1205-L1207 VanDerWaalsContact C-N 3.31Å; S1205-L1207 PolarHBondContact O-N 2.81Å | ||
| 1206 | D | 25.5 | Very low | 23.3 | Very low | 137 Ų | 137 | 134 Ų | 134 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | trans | -81.7 | 81.7 | 170.4 | -71.7 | -22.6 | 0 | 0 | 0 | 110.4 | S1204 S1208 | S1204-D1206 PolarHBondContact O-N 2.89Å; D1206-S1208 PolarHBondContact O-N 2.89Å | ||
| 1207 | L | 22.7 | Very low | 23.5 | Very low | 173 Ų | 173 | 135 Ų | 135 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | -78.3 | 81 | 167.9 | -83.2 | 161.8 | 0 | 0 | 0 | 109.9 | S1205 | S1205-L1207 VanDerWaalsContact C-N 3.31Å; S1205-L1207 PolarHBondContact O-N 2.81Å | ||
| 1208 | S | 26.2 | Very low | 23.8 | Very low | 77 Ų | 77 | 136.2 Ų | 136.2 | 54% | 0.538 | 77% | 0.767 | S | S | . | * | trans | -133.2 | -32.4 | 173.2 | 53.8 | 0 | 0 | 0 | 0 | 115.5 | D1206 L1210 | D1206-S1208 PolarHBondContact O-N 2.89Å; S1208-L1210 PolarHBondContact O-N 2.83Å | ||
| 1209 | D | 26.4 | Very low | 24.2 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 13.7 | -157.1 | -67.4 | 13.3 | 0 | 0 | 0 | 115.5 | ||
| 1210 | L | 22 | Very low | 24.2 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | 37 | 177.2 | -72.5 | 177.4 | 0 | 0 | 0 | 114.1 | S1208 | S1208-L1210 PolarHBondContact O-N 2.83Š|
| 1211 | Q | 25 | Very low | 24.6 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | trans | -95.5 | 3.8 | 170.4 | -83 | -160.7 | -15 | 0 | 0 | 115.3 | ||||
| 1212 | S | 26.5 | Very low | 24.9 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -95.3 | 1.5 | -167.5 | 53.2 | 0 | 0 | 0 | 0 | 117.3 | ||
| 1213 | I | 24.3 | Very low | 25.1 | Very low | 149 Ų | 149 | 140 Ų | 140 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -122.8 | -5.9 | -174.9 | -55.7 | -178.4 | 0 | 0 | 0 | 113.7 | S1215 | I1213-S1215 VanDerWaalsContact C-N 3.31Å; I1213-S1215 PolarHBondContact O-N 3.13Å |
| 1214 | S | 23.9 | Very low | 25.2 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -86.6 | 23.1 | -175.6 | 71.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1215 | S | 23.3 | Very low | 25.4 | Very low | 104 Ų | 104 | 148 Ų | 148 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -140.6 | 73.7 | -174.1 | 62.8 | 0 | 0 | 0 | 0 | 113.7 | I1213 | I1213-S1215 VanDerWaalsContact C-N 3.31Å; I1213-S1215 PolarHBondContact O-N 3.13Å | ||
| 1216 | S | 26.7 | Very low | 25.6 | Very low | 108 Ų | 108 | 149.5 Ų | 149.5 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -150.9 | 21.9 | 167.2 | 81.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1217 | M | 26.8 | Very low | 25.5 | Very low | 181 Ų | 181 | 151.4 Ų | 151.4 | 89% | 0.892 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -119.2 | 1.7 | -166.7 | -143.3 | 167.9 | -178.4 | 0 | 0 | 115.1 | ||
| 1218 | D | 29 | Very low | 25.5 | Very low | 153 Ų | 153 | 148 Ų | 148 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -109.7 | 5.8 | -173.9 | -72.3 | -31.8 | 0 | 0 | 0 | 114.8 | W1220 | D1218-W1220 VanDerWaalsContact C-N 3.28Å; D1218-W1220 PolarHBondContact O-N 3.45Å; D1218-W1220 VanDerWaalsContact O-N 3.14Å | ||
| 1219 | D | 27.5 | Very low | 25.3 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | -81.7 | 16.3 | -170.5 | -85.5 | -25.6 | 0 | 0 | 0 | 116.4 | ||||
| 1220 | W | 23.8 | Very low | 25.2 | Very low | 241 Ų | 241 | 151.7 Ų | 151.7 | 91% | 0.913 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -115.9 | 78.4 | 179.4 | -71.1 | 70.5 | 0 | 0 | 0 | 111.9 | D1218 | D1218-W1220 VanDerWaalsContact C-N 3.28Å; D1218-W1220 PolarHBondContact O-N 3.45Å; D1218-W1220 VanDerWaalsContact O-N 3.14Å |
| 1221 | T | 28.9 | Very low | 25.2 | Very low | 128 Ų | 128 | 152.4 Ų | 152.4 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -169.6 | -4.5 | 156 | 13.6 | 0 | 0 | 0 | 0 | 117.1 | P1223 | T1221-P1223 VanDerWaalsContact C-CD 3.48Å; T1221-P1223 VanDerWaalsContact O-CD 3.29Å; T1221-P1223 WeakPolarHBondContact O-CD 3.39Å |
| 1222 | K | 27.8 | Very low | 25.1 | Very low | 203 Ų | 203 | 147.8 Ų | 147.8 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -117.9 | 76.6 | -173.9 | -67.8 | -173 | 178.8 | -178.8 | 0 | 116 | ||||
| 1223 | P | 23.2 | Very low | 24.8 | Very low | 98 Ų | 98 | 148.7 Ų | 148.7 | 64% | 0.636 | 80% | 0.803 | S | S | * | * | trans | -83.6 | 151 | 149.5 | 34.5 | -28.2 | 0 | 0 | 0 | 110.5 | T1221 | T1221-P1223 VanDerWaalsContact C-CD 3.48Å; T1221-P1223 VanDerWaalsContact O-CD 3.29Å; T1221-P1223 WeakPolarHBondContact O-CD 3.39Å | ||
| 1224 | Y | 25 | Very low | 24.7 | Very low | 220 Ų | 220 | 147.3 Ų | 147.3 | 86% | 0.863 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 78.4 | 145.4 | -176 | -54.5 | -78.5 | 0 | 0 | 0 | 116.3 | ||
| 1225 | E | 27 | Very low | 24.5 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 62.8 | 78.7 | -170.6 | -58.3 | -168.1 | 167.5 | 0 | 0 | 116.1 | ||
| 1226 | V | 27.2 | Very low | 24.4 | Very low | 136 Ų | 136 | 151.7 Ų | 151.7 | 82% | 0.824 | 80% | 0.803 | S | S | * | * | -172 | 85 | 110.5 | 171.2 | 0 | 0 | 0 | 0 | 106.4 | |||||
| 1227 | L | 22.6 | Very low | 24.2 | Very low | 178 Ų | 178 | 154 Ų | 154 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -128.4 | 16.2 | 169.9 | -109.6 | 175.9 | 0 | 0 | 0 | 112.5 | ||
| 1228 | S | 21.7 | Very low | 23.9 | Very low | 100 Ų | 100 | 151.5 Ų | 151.5 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -152.3 | 75.5 | 179.6 | 61 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1229 | N | 23.5 | Very low | 23.7 | Very low | 152 Ų | 152 | 151.7 Ų | 151.7 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -172.6 | 146.5 | 142.3 | -95.2 | -30.8 | 0 | 0 | 0 | 111.4 | ||
| 1230 | L | 24.3 | Very low | 23.4 | Very low | 144 Ų | 144 | 151.6 Ų | 151.6 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | 71.4 | 55.3 | 172.6 | -51.7 | -179.4 | 0 | 0 | 0 | 117.1 | S1232 | L1230-S1232 PolarHBondContact O-N 2.64Š| ||
| 1231 | N | 21.4 | Very low | 23.4 | Very low | 180 Ų | 180 | 149.3 Ų | 149.3 | 96% | 0.963 | 80% | 0.799 | S | S | * | * | -58 | 94.6 | 127.1 | -89.7 | -29.3 | 0 | 0 | 0 | 108.6 | |||||
| 1232 | S | 23.3 | Very low | 23.1 | Very low | 77 Ų | 77 | 151 Ų | 151 | 54% | 0.538 | 80% | 0.802 | S | S | . | * | trans | -147.4 | 89.8 | 168 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | L1230 | L1230-S1232 PolarHBondContact O-N 2.64Š| ||
| 1233 | S | 20.5 | Very low | 22.7 | Very low | 114 Ų | 114 | 152.2 Ų | 152.2 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -0.1 | 118.6 | 150.8 | 55 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1234 | C | 20.6 | Very low | 22.8 | Very low | 120 Ų | 120 | 153.5 Ų | 153.5 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | -142.6 | 97 | 147.5 | -155.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1235 | T | 19.9 | Very low | 22.7 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -87.7 | 111.6 | 178.9 | 45.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1236 | Y | 22.4 | Very low | 22.3 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | -140.3 | 105.2 | 159.6 | -88 | -73.7 | 0 | 0 | 0 | 112.3 | ||||
| 1237 | Q | 22.9 | Very low | 22.1 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | 57.4 | 97.2 | 128.2 | -70 | -178.3 | -33.2 | 0 | 0 | 119.1 | |||||
| 1238 | T | 20.1 | Very low | 22 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -47.5 | 127.7 | 144.8 | 47.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1239 | N | 24 | Very low | 22 | Very low | 156 Ų | 156 | 151.4 Ų | 151.4 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -126.8 | 102.2 | 157.2 | -95.6 | -19.1 | 0 | 0 | 0 | 107.8 | ||||
| 1240 | D | 21.2 | Very low | 21.8 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -62.8 | 133.1 | 166.6 | -62.4 | -64.5 | 0 | 0 | 0 | 109.7 | ||||
| 1241 | M | 24.3 | Very low | 21.6 | Very low | 194 Ų | 194 | 152.9 Ų | 152.9 | 96% | 0.956 | 80% | 0.802 | S | S | * | * | trans | -137.2 | 129.1 | 156.5 | -129.8 | -179.7 | 179.6 | 0 | 0 | 111.2 | ||||
| 1242 | L | 22.1 | Very low | 21.7 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -79.1 | 159.2 | -165.1 | -72.1 | 132.9 | 0 | 0 | 0 | 113.7 | ||||
| 1243 | W | 19.1 | Very low | 21.7 | Very low | 230 Ų | 230 | 152.9 Ų | 152.9 | 87% | 0.871 | 80% | 0.801 | S | S | * | * | trans | -36.6 | 151.1 | 162.8 | -77.4 | 30.4 | 0 | 0 | 0 | 115 | ||||
| 1244 | P | 25.8 | Very low | 21.7 | Very low | 124 Ų | 124 | 152.5 Ų | 152.5 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | -145.9 | 159.7 | 72.7 | 38.3 | -19.9 | 0 | 0 | 0 | 118.2 | |||||
| 1245 | P | 23.7 | Very low | 21.6 | Very low | 92 Ų | 92 | 152.5 Ų | 152.5 | 60% | 0.597 | 80% | 0.8 | S | S | * | * | trans | -92.4 | 138.4 | 171.1 | 35.8 | -31.6 | 0 | 0 | 0 | 112.3 | ||||
| 1246 | L | 18.5 | Very low | 21.6 | Very low | 155 Ų | 155 | 151.2 Ų | 151.2 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | 173.4 | 110 | 151.9 | -101.4 | 152.9 | 0 | 0 | 0 | 111 | ||||
| 1247 | N | 22 | Very low | 21.5 | Very low | 155 Ų | 155 | 152 Ų | 152 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | 177.5 | 135.7 | 118.5 | -96.3 | -30.4 | 0 | 0 | 0 | 112.5 | |||||
| 1248 | H | 19.7 | Very low | 21.4 | Very low | 180 Ų | 180 | 152.7 Ų | 152.7 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | trans | -70.3 | 129.1 | 166.7 | -66 | -92.4 | 0 | 0 | 0 | 110.2 | ||||
| 1249 | Q | 22.8 | Very low | 21.4 | Very low | 196 Ų | 196 | 154.4 Ų | 154.4 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | -147.4 | 137 | 149.7 | -108.9 | 173.6 | 16 | 0 | 0 | 110.4 | ||||
| 1250 | H | 19.9 | Very low | 21.3 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -73.9 | 138.3 | -174.7 | -73.5 | -119.8 | 0 | 0 | 0 | 112.1 | ||||
| 1251 | L | 20.4 | Very low | 21.3 | Very low | 154 Ų | 154 | 150.4 Ų | 150.4 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -161.7 | 101.4 | 139.5 | -140.4 | 77.9 | 0 | 0 | 0 | 112.6 | ||||
| 1252 | P | 22.9 | Very low | 21.3 | Very low | 105 Ų | 105 | 147.8 Ų | 147.8 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | trans | -100.7 | 110.4 | 167.4 | 33.3 | -24.6 | 0 | 0 | 0 | 110.9 | ||||
| 1253 | N | 22.1 | Very low | 21.4 | Very low | 152 Ų | 152 | 149.1 Ų | 149.1 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -104.1 | 89.1 | 169.3 | -87.6 | -12.7 | 0 | 0 | 0 | 110.1 | ||||
| 1254 | S | 20.6 | Very low | 21.6 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -117.8 | 86.2 | 165.4 | 45.9 | 0 | 0 | 0 | 0 | 109.7 | S1256 | S1254-S1256 PolarHBondContact O-N 3.21Š| ||
| 1255 | S | 19.7 | Very low | 21.3 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -87.1 | 90.7 | 178.1 | 57.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1256 | S | 20.2 | Very low | 21.1 | Very low | 94 Ų | 94 | 148 Ų | 148 | 66% | 0.657 | 81% | 0.813 | S | S | * | * | trans | -141.8 | 89.1 | 172.7 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | S1254 L1258 | S1254-S1256 PolarHBondContact O-N 3.21Å; S1256-L1258 PolarHBondContact O-N 2.8Å | ||
| 1257 | F | 19.6 | Very low | 21.3 | Very low | 209 Ų | 209 | 149.4 Ų | 149.4 | 92% | 0.917 | 82% | 0.816 | S | S | * | * | trans | 28.1 | 78.3 | 152.6 | -66.2 | -86.1 | 0 | 0 | 0 | 117.5 | ||||
| 1258 | L | 20.6 | Very low | 21.2 | Very low | 172 Ų | 172 | 149 Ų | 149 | 90% | 0.901 | 81% | 0.813 | S | S | * | * | trans | -82.8 | 108.3 | 151.3 | -77.5 | 168.5 | 0 | 0 | 0 | 108.5 | S1256 S1260 | S1256-L1258 PolarHBondContact O-N 2.8Å; L1258-S1260 PolarHBondContact O-N 2.84Å | ||
| 1259 | L | 19.8 | Very low | 21.2 | Very low | 165 Ų | 165 | 148.4 Ų | 148.4 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -75.8 | 110.2 | 160.6 | -87.3 | 156.4 | 0 | 0 | 0 | 107.6 | ||||
| 1260 | S | 21.3 | Very low | 21.1 | Very low | 91 Ų | 91 | 146 Ų | 146 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | trans | -66.9 | 126.1 | 175.2 | 45.8 | 0 | 0 | 0 | 0 | 110.9 | L1258 D1262 | L1258-S1260 PolarHBondContact O-N 2.84Å; S1260-D1262 VanDerWaalsContact C-N 3.31Å; S1260-D1262 PolarHBondContact O-N 3.01Å; S1260-D1262 VanDerWaalsContact O-N 3.16Å | ||
| 1261 | P | 23.1 | Very low | 21.2 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | trans | -87.1 | 71.6 | 172.6 | 36 | -33 | 0 | 0 | 0 | 110.4 | ||||
| 1262 | D | 24.2 | Very low | 21.2 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 74% | 0.743 | 80% | 0.799 | S | S | * | * | trans | -110.9 | 156.1 | 161.2 | -78.4 | -50.9 | 0 | 0 | 0 | 108.6 | S1260 | S1260-D1262 VanDerWaalsContact C-N 3.31Å; S1260-D1262 PolarHBondContact O-N 3.01Å; S1260-D1262 VanDerWaalsContact O-N 3.16Å | ||
| 1263 | E | 23.4 | Very low | 21.1 | Very low | 189 Ų | 189 | 142.4 Ų | 142.4 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | 74.4 | 77.2 | -176 | -53.3 | -172.7 | 170.5 | 0 | 0 | 116.6 | ||||
| 1264 | I | 22.7 | Very low | 20.9 | Very low | 177 Ų | 177 | 144.2 Ų | 144.2 | 91% | 0.908 | 80% | 0.802 | S | S | * | * | S | Bend | -158.5 | 128 | 119.5 | -93.6 | 150.5 | 0 | 0 | 0 | 108.9 | |||
| 1265 | G | 20.8 | Very low | 20.9 | Very low | 73 Ų | 73 | 144.4 Ų | 144.4 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 75.5 | 62.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | E1267 | G1265-E1267 PolarHBondContact O-N 3.4Š| ||
| 1266 | L | 19.5 | Very low | 21 | Very low | 172 Ų | 172 | 144.1 Ų | 144.1 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | trans | -72.1 | 109.9 | 147 | -97.4 | 157.1 | 0 | 0 | 0 | 108.6 | ||||
| 1267 | E | 21.1 | Very low | 21 | Very low | 185 Ų | 185 | 150.7 Ų | 150.7 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -159.1 | 146.8 | 158.8 | -117.6 | 167.4 | -132.5 | 0 | 0 | 110.9 | G1265 | G1265-E1267 PolarHBondContact O-N 3.4Š| ||
| 1268 | L | 21 | Very low | 21 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 78% | 0.775 | 80% | 0.797 | S | S | * | * | trans | 65.8 | 65.7 | 179.2 | -62.7 | 164.1 | 0 | 0 | 0 | 116.4 | ||||
| 1269 | L | 19.3 | Very low | 21 | Very low | 167 Ų | 167 | 142.5 Ų | 142.5 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -60.7 | 121 | 130.8 | -81.1 | 157.5 | 0 | 0 | 0 | 108.3 | ||||
| 1270 | D | 21.4 | Very low | 20.9 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | -133.9 | 113.9 | 151 | -101.4 | -34.2 | 0 | 0 | 0 | 108.8 | ||||
| 1271 | S | 20.6 | Very low | 21.1 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | -67.6 | 142.5 | 164.9 | 43.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1272 | D | 21.2 | Very low | 21 | Very low | 145 Ų | 145 | 144 Ų | 144 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | 176.1 | 154.5 | 102.7 | -104.1 | -32.4 | 0 | 0 | 0 | 117.5 | |||||
| 1273 | V | 20.2 | Very low | 20.9 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 66.1 | 101.5 | 144 | 176.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1274 | F | 18.7 | Very low | 20.8 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | trans | -44.8 | 138 | 143.3 | -85.5 | -112.8 | 0 | 0 | 0 | 112.9 | ||||
| 1275 | T | 21.3 | Very low | 20.8 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | 168.5 | 147 | 106.1 | 35.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1276 | P | 20.1 | Very low | 20.8 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 129.6 | 176.6 | 33.8 | -31.7 | 0 | 0 | 0 | 111.9 | ||
| 1277 | Y | 20.1 | Very low | 20.9 | Very low | 231 Ų | 231 | 133.5 Ų | 133.5 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 132.1 | 173.5 | -94.3 | -86 | 0 | 0 | 0 | 112.3 | ||
| 1278 | T | 20.2 | Very low | 20.8 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -101.9 | 163.7 | 178.4 | 48.3 | 0 | 0 | 0 | 0 | 112 | ||
| 1279 | S | 19.8 | Very low | 20.7 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 66% | 0.657 | 77% | 0.773 | S | S | * | * | trans | 83.9 | 126.5 | 147.6 | 80.4 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1280 | N | 19.7 | Very low | 20.8 | Very low | 148 Ų | 148 | 128.1 Ų | 128.1 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | trans | 60.1 | 123.4 | 131.1 | -57.5 | -10.3 | 0 | 0 | 0 | 120.7 | ||||
| 1281 | T | 24.1 | Very low | 20.8 | Very low | 152 Ų | 152 | 126 Ų | 126 | 93% | 0.933 | 78% | 0.775 | S | S | * | * | -155.5 | 132.9 | 116.8 | 2.5 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1282 | S | 20.9 | Very low | 20.8 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -100.3 | 146.3 | 170.7 | 48.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1283 | A | 22.6 | Very low | 20.9 | Very low | 94 Ų | 94 | 126.4 Ų | 126.4 | 78% | 0.777 | 78% | 0.783 | S | S | * | * | trans | -151.8 | 130.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1284 | A | 22 | Very low | 20.8 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | 50.1 | 141.8 | 129.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1285 | A | 22.2 | Very low | 20.9 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 69% | 0.694 | 78% | 0.784 | S | S | * | * | cis | -164.8 | 160.4 | -9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1286 | T | 19.9 | Very low | 20.9 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 7.8 | 131.9 | 150.7 | 56.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1287 | T | 22.8 | Very low | 21 | Very low | 129 Ų | 129 | 124 Ų | 124 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | 175.1 | 109.2 | 122.7 | 35.3 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 1288 | T | 18.9 | Very low | 20.9 | Very low | 120 Ų | 120 | 121.7 Ų | 121.7 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | 68.2 | 133.4 | 72.3 | 61.5 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 1289 | T | 19.3 | Very low | 20.9 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 62.1 | 113.3 | 164.6 | 56.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1290 | T | 21.2 | Very low | 21 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | -166.7 | 131.9 | 90.2 | 36.6 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 1291 | A | 20.3 | Very low | 20.9 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | -123 | 126.8 | 169 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1292 | T | 21.6 | Very low | 20.7 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | trans | -136.3 | 116.5 | 172.6 | 43.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1293 | S | 22.3 | Very low | 20.6 | Very low | 101 Ų | 101 | 138 Ų | 138 | 71% | 0.706 | 81% | 0.814 | S | S | * | * | trans | -121.3 | 172.6 | 177.5 | 53.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 1294 | L | 18.8 | Very low | 20.6 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | 70.2 | 127.3 | 174.1 | -59.2 | 128.6 | 0 | 0 | 0 | 115.1 | ||||
| 1295 | T | 21.6 | Very low | 20.4 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | -172.6 | 160.6 | 62.3 | 24.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1296 | A | 21.2 | Very low | 20.6 | Very low | 97 Ų | 97 | 144.6 Ų | 144.6 | 80% | 0.802 | 82% | 0.815 | S | S | * | * | trans | 60.2 | 101.6 | 144.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1297 | A | 22 | Very low | 20.7 | Very low | 105 Ų | 105 | 148.2 Ų | 148.2 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | -153.2 | 115.4 | 128.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1298 | M | 18.3 | Very low | 21 | Very low | 182 Ų | 182 | 150.9 Ų | 150.9 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | trans | -89.8 | 137.7 | 161.6 | -64.4 | 168.2 | 66.7 | 0 | 0 | 107.1 | ||||
| 1299 | E | 20.4 | Very low | 21.3 | Very low | 187 Ų | 187 | 152.1 Ų | 152.1 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | -169.5 | 162.4 | 128.5 | -109.1 | 174.7 | 179.4 | 0 | 0 | 115.3 | |||||
| 1300 | K | 20.2 | Very low | 21.7 | Very low | 187 Ų | 187 | 152.9 Ų | 152.9 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | trans | -65 | 144.8 | -159.3 | -69.5 | 151.9 | 173.5 | 167.5 | 0 | 115.8 | ||||
| 1301 | Y | 18.4 | Very low | 21.9 | Very low | 225 Ų | 225 | 151.7 Ų | 151.7 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -63.4 | 135.9 | 152.5 | -80.5 | -107.3 | 0 | 0 | 0 | 111.2 | ||||
| 1302 | H | 20.4 | Very low | 22.2 | Very low | 187 Ų | 187 | 152 Ų | 152 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -145.2 | 132.8 | 138.7 | -108.1 | -69.6 | 0 | 0 | 0 | 108.6 | P1304 | H1302-P1304 WeakPolarHBondContact O-CD 3.23Š| ||
| 1303 | E | 19 | Very low | 22.6 | Very low | 183 Ų | 183 | 153.1 Ų | 153.1 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -102.1 | 123.8 | -170.2 | 178.4 | -178.2 | -148.1 | 0 | 0 | 110.9 | ||||
| 1304 | P | 21 | Very low | 22.9 | Very low | 111 Ų | 111 | 153.4 Ų | 153.4 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -133.3 | 107.3 | 156.5 | 34 | -17.9 | 0 | 0 | 0 | 112.5 | H1302 | H1302-P1304 WeakPolarHBondContact O-CD 3.23Š| ||
| 1305 | K | 19.3 | Very low | 23.3 | Very low | 203 Ų | 203 | 155.1 Ų | 155.1 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | 41.4 | 92.5 | 137.8 | -58.7 | 178.5 | 178.4 | -178 | 0 | 117.1 | ||||
| 1306 | S | 26.4 | Very low | 23.5 | Very low | 103 Ų | 103 | 156.4 Ų | 156.4 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -90.8 | 117.9 | 157.3 | 44.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1307 | E | 22.2 | Very low | 23.6 | Very low | 199 Ų | 199 | 161.3 Ų | 161.3 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | trans | -87.4 | 101.1 | 159.6 | -72.8 | -179.7 | 152.5 | 0 | 0 | 107.3 | ||||
| 1308 | E | 28 | Very low | 23.9 | Very low | 184 Ų | 184 | 166.7 Ų | 166.7 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -99 | 139.4 | -178.2 | -119.8 | 176.5 | -173.8 | 0 | 0 | 112.5 | ||||
| 1309 | N | 25.9 | Very low | 24.1 | Very low | 147 Ų | 147 | 167.2 Ų | 167.2 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -101.4 | 148.1 | -178.3 | -102 | -45.2 | 0 | 0 | 0 | 110.1 | ||||
| 1310 | I | 27 | Very low | 24.4 | Very low | 144 Ų | 144 | 167.1 Ų | 167.1 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | 90.9 | 136.8 | 150.8 | -64 | 155.4 | 0 | 0 | 0 | 120.4 | ||||
| 1311 | T | 25.6 | Very low | 24.8 | Very low | 114 Ų | 114 | 167.4 Ų | 167.4 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 88.2 | 137.6 | 157.8 | 43.6 | 0 | 0 | 0 | 0 | 123.6 | H1313 | T1311-H1313 PolarHBondContact O-N 3.24Š| ||
| 1312 | D | 27.6 | Very low | 25.2 | Very low | 108 Ų | 108 | 159.6 Ų | 159.6 | 58% | 0.578 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | 3.7 | -174.4 | -94.1 | -41.1 | 0 | 0 | 0 | 116.5 | D1314 R1315 | D1312-D1314 PolarHBondContact O-N 2.89Å; D1312-R1315 PolarHBondContact O-N 3.43Å; D1312-R1315 WeakPolarHBondContact OD1-CD 3.02Å; D1312-R1315 WeakPolarHBondContact OD1-CG 3.08Å; D1312-R1315 IonicContact OD1-NE 3.72Å; D1312-R1315 PolarHBondContact OD1-NE 3.34Å; D1312-R1315 VanDerWaalsContact OD1-NE 3.1Å |
| 1313 | H | 28.9 | Very low | 25.7 | Very low | 167 Ų | 167 | 157.6 Ų | 157.6 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -60.6 | -22.7 | 169.2 | -91 | -61.6 | 0 | 0 | 0 | 112.6 | T1311 R1317 | T1311-H1313 PolarHBondContact O-N 3.24Å; H1313-R1317 PolarHBondContact O-N 3.42Å |
| 1314 | D | 29.9 | Very low | 25.9 | Very low | 107 Ų | 107 | 154.4 Ų | 154.4 | 57% | 0.572 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -89.7 | -10.1 | 172.7 | -90.3 | -31.4 | 0 | 0 | 0 | 115.9 | D1312 F1316 R1317 R1318 | D1312-D1314 PolarHBondContact O-N 2.89Å; D1314-F1316 VanDerWaalsContact C-N 3.32Å; D1314-R1317 VanDerWaalsContact OD1-CD 3.31Å; D1314-R1317 WeakPolarHBondContact OD1-CD 3.42Å; D1314-R1317 WeakPolarHBondContact OD1-CG 3.07Å; D1314-R1317 IonicContact OD1-NE 2.69Å; D1314-R1318 PolarHBondContact O-N 3.49Å |
| 1315 | R | 25.7 | Very low | 26.4 | Very low | 191 Ų | 191 | 152.6 Ų | 152.6 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -67.5 | -38.6 | 161.4 | -81.8 | -164.1 | -163.6 | -149.5 | -2.4 | 110.6 | D1312 R1317 R1318 | D1312-R1315 PolarHBondContact O-N 3.43Å; D1312-R1315 WeakPolarHBondContact OD1-CD 3.02Å; D1312-R1315 WeakPolarHBondContact OD1-CG 3.08Å; D1312-R1315 IonicContact OD1-NE 3.72Å; D1312-R1315 PolarHBondContact OD1-NE 3.34Å; D1312-R1315 VanDerWaalsContact OD1-NE 3.1Å; R1315-R1317 VanDerWaalsContact C-N 3.33Å; R1315-R1317 PolarHBondContact O-N 3.2Å; R1315-R1318 PolarHBondContact O-N 3.38Å; R1315-R1318 VanDerWaalsContact O-N 3.12Å |
| 1316 | F | 25.5 | Very low | 26.8 | Very low | 154 Ų | 154 | 145.4 Ų | 145.4 | 68% | 0.675 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -68.9 | -29.5 | 176.9 | -131.6 | -88.7 | 0 | 0 | 0 | 113 | D1314 R1318 W1319 | D1314-F1316 VanDerWaalsContact C-N 3.32Å; F1316-R1318 VanDerWaalsContact C-N 3.34Å; F1316-W1319 HydrophobicContact CZ-CE3 4.34Å; F1316-W1319 PolarHBondContact O-N 2.93Å |
| 1317 | R | 24.8 | Very low | 27 | Very low | 200 Ų | 200 | 143 Ų | 143 | 76% | 0.755 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.6 | -29.5 | 169 | -77.6 | -150.5 | -170.5 | -166.6 | 9.2 | 113.7 | H1313 D1314 R1315 W1319 K1320 | H1313-R1317 PolarHBondContact O-N 3.42Å; D1314-R1317 VanDerWaalsContact OD1-CD 3.31Å; D1314-R1317 WeakPolarHBondContact OD1-CD 3.42Å; D1314-R1317 WeakPolarHBondContact OD1-CG 3.07Å; D1314-R1317 IonicContact OD1-NE 2.69Å; R1315-R1317 VanDerWaalsContact C-N 3.33Å; R1315-R1317 PolarHBondContact O-N 3.2Å; R1317-W1319 VanDerWaalsContact C-N 3.29Å; R1317-W1319 PolarHBondContact O-N 2.83Å; R1317-K1320 PolarHBondContact O-N 3.5Å |
| 1318 | R | 27 | Very low | 27.5 | Very low | 217 Ų | 217 | 136.7 Ų | 136.7 | 82% | 0.819 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.6 | -19.4 | 176.8 | -96.9 | -177.7 | 167.9 | 172.2 | -2.1 | 114.2 | D1314 R1315 F1316 K1320 | D1314-R1318 PolarHBondContact O-N 3.49Å; R1315-R1318 PolarHBondContact O-N 3.38Å; R1315-R1318 VanDerWaalsContact O-N 3.12Å; F1316-R1318 VanDerWaalsContact C-N 3.34Å; R1318-K1320 PolarHBondContact O-N 3.14Å |
| 1319 | W | 24.2 | Very low | 27.7 | Very low | 194 Ų | 194 | 130 Ų | 130 | 74% | 0.735 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -66.5 | -19.1 | 174.6 | -111.7 | 30.8 | 0 | 0 | 0 | 114.1 | F1316 R1317 K1321 | F1316-W1319 HydrophobicContact CZ-CE3 4.34Å; F1316-W1319 PolarHBondContact O-N 2.93Å; R1317-W1319 VanDerWaalsContact C-N 3.29Å; R1317-W1319 PolarHBondContact O-N 2.83Å; W1319-K1321 PolarHBondContact O-N 3.06Å |
| 1320 | K | 25.4 | Very low | 28.1 | Very low | 184 Ų | 184 | 126.7 Ų | 126.7 | 80% | 0.8 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -80.6 | 15.2 | -179.7 | -110.3 | -174.1 | 178.8 | -173.3 | 0 | 115.4 | R1317 R1318 | R1317-K1320 PolarHBondContact O-N 3.5Å; R1318-K1320 PolarHBondContact O-N 3.14Å |
| 1321 | K | 28.1 | Very low | 28.2 | Very low | 194 Ų | 194 | 123.2 Ų | 123.2 | 84% | 0.843 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -141.1 | 9 | -176.8 | -88.5 | -166.9 | 174.1 | -176.2 | 0 | 117 | W1319 | W1319-K1321 PolarHBondContact O-N 3.06Š|
| 1322 | S | 26.8 | Very low | 28.7 | Very low | 61 Ų | 61 | 120.9 Ų | 120.9 | 43% | 0.427 | 57% | 0.568 | S | S | . | * | trans | -96.6 | 106.3 | 177.2 | 52.1 | 0 | 0 | 0 | 0 | 112.2 | M1324 | S1322-M1324 PolarHBondContact O-N 2.63Š| ||
| 1323 | N | 31.1 | Very low | 28.9 | Very low | 144 Ų | 144 | 117.3 Ų | 117.3 | 77% | 0.77 | 56% | 0.557 | S | S | * | * | trans | -62.5 | 121.7 | 170.8 | -60.3 | -9.5 | 0 | 0 | 0 | 110 | ||||
| 1324 | M | 23.6 | Very low | 29.4 | Very low | 116 Ų | 116 | 116.6 Ų | 116.6 | 57% | 0.571 | 55% | 0.552 | S | S | * | * | trans | -69.4 | 130.9 | 166.8 | -73.4 | -179.1 | 178.8 | 0 | 0 | 109.6 | S1322 L1356 M1358 | S1322-M1324 PolarHBondContact O-N 2.63Å; M1324-L1356 HydrophobicContact CE-CD2 3.59Å; M1324-L1356 HydrophobicContact SD-CD2 3.73Å; M1324-M1358 HydrophobicContact CB-SD 4.43Å; M1324-M1358 HydrophobicContact CE-CE 3.57Å; M1324-M1358 HydrophobicContact CG-CE 3.76Å; M1324-M1358 HydrophobicContact CG-SD 3.6Å; M1324-M1358 HydrophobicContact SD-CE 4.48Å | ||
| 1325 | S | 32.2 | Very low | 29.5 | Very low | 74 Ų | 74 | 114.7 Ų | 114.7 | 52% | 0.517 | 55% | 0.547 | S | S | . | . | trans | -96.7 | -31.8 | -179.5 | 58.2 | 0 | 0 | 0 | 0 | 114 | F1357 | S1325-F1357 PolarHBondContact N-O 3.13Å; S1325-F1357 PolarHBondContact OG-O 2.74Å | ||
| 1326 | S | 27.5 | Very low | 29.9 | Very low | 51 Ų | 51 | 112.9 Ų | 112.9 | 36% | 0.357 | 55% | 0.545 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 160.9 | 174.5 | 54.3 | 0 | 0 | 0 | 0 | 113 | F1357 | S1326-F1357 PolarHBondContact N-O 3.35Å; S1326-F1357 PolarHBondContact O-N 3.31Å; S1326-F1357 WeakPolarHBondContact OG-CB 3.27Å |
| 1327 | V | 29.4 | Very low | 30.2 | Very low | 52 Ų | 52 | 110.4 Ų | 110.4 | 32% | 0.315 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.3 | 170.2 | -179.5 | 0 | 0 | 0 | 0 | 107.6 | I1329 L1354 L1356 | V1327-I1329 HydrophobicContact CG1-CG1 4.23Å; V1327-L1354 HydrophobicContact CG1-CD1 3.95Å; V1327-L1356 HydrophobicContact CG2-CD2 3.99Å; V1327-L1356 HydrophobicContact CG2-CG 4.2Å |
| 1328 | I | 34 | Very low | 30.7 | Very low | 68 Ų | 68 | 102.9 Ų | 102.9 | 35% | 0.349 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 134.8 | 172.5 | -59.9 | -174.3 | 0 | 0 | 0 | 108.3 | Q1355 F1357 | I1328-Q1355 HydrophobicContact CB-CB 4.39Å; I1328-Q1355 PolarHBondContact N-O 2.93Å; I1328-Q1355 PolarHBondContact O-N 3.09Å; I1328-F1357 HydrophobicContact CB-CE2 4.04Å; I1328-F1357 HydrophobicContact CD1-CD2 4.19Å; I1328-F1357 HydrophobicContact CD1-CE2 3.49Å; I1328-F1357 VanDerWaalsContact CD1-CE2 3.49Å; I1328-F1357 HydrophobicContact CD1-CZ 3.99Å; I1328-F1357 HydrophobicContact CG1-CD2 4.06Å; I1328-F1357 HydrophobicContact CG1-CE2 3.67Å |
| 1329 | I | 32.3 | Very low | 31.1 | Very low | 42 Ų | 42 | 95.9 Ų | 95.9 | 22% | 0.215 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 116.5 | 179.4 | -47.8 | -173.7 | 0 | 0 | 0 | 107.7 | V1327 F1351 L1354 | V1327-I1329 HydrophobicContact CG1-CG1 4.23Å; I1329-F1351 HydrophobicContact CG2-CD1 3.37Å; I1329-F1351 HydrophobicContact CG2-CE1 3.61Å; I1329-L1354 HydrophobicContact CD1-CD1 4.39Å; I1329-L1354 HydrophobicContact CG1-CD1 4.04Å |
| 1330 | Q | 34.2 | Very low | 31.7 | Very low | 79 Ų | 79 | 91.3 Ų | 91.3 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 132.4 | 171.8 | -71.5 | -171.1 | -42.3 | 0 | 0 | 110.9 | K1352 S1353 | Q1330-K1352 HydrophobicContact CB-CB 4.18Å; Q1330-K1352 PolarHBondContact O-N 3.07Å; Q1330-S1353 WeakPolarHBondContact CB-OG 3.47Å; Q1330-S1353 PolarHBondContact N-O 3.02Å; Q1330-S1353 PolarHBondContact O-N 3.21Å; Q1330-S1353 PolarHBondContact OE1-OG 3.33Å |
| 1331 | L | 28.2 | Very low | 32.2 | Very low | 71 Ų | 71 | 89 Ų | 89 | 37% | 0.372 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 134.8 | 171.9 | -56.7 | -179.5 | 0 | 0 | 0 | 109.5 | I1349 F1351 | L1331-I1349 HydrophobicContact CD1-CG2 4.33Å; L1331-I1349 HydrophobicContact CD2-CG2 3.56Å; L1331-F1351 HydrophobicContact CD2-CD1 3.51Å; L1331-F1351 HydrophobicContact CD2-CE1 3.32Å; L1331-F1351 HydrophobicContact CD2-CG 4.38Å; L1331-F1351 HydrophobicContact CD2-CZ 4.05Å |
| 1332 | T | 35.7 | Very low | 32.4 | Very low | 65 Ų | 65 | 86 Ų | 86 | 40% | 0.399 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -33.7 | 172.6 | -15.6 | 0 | 0 | 0 | 0 | 111.2 | V1350 K1352 Y1388 | T1332-V1350 PolarHBondContact N-O 2.72Å; T1332-V1350 PolarHBondContact OG1-O 2.87Å; T1332-K1352 HydrophobicContact CG2-CB 4.04Å; T1332-K1352 HydrophobicContact CG2-CD 4.1Å; T1332-K1352 HydrophobicContact CG2-CG 3.98Å; T1332-K1352 WeakPolarHBondContact OG1-CA 3.23Å; T1332-K1352 WeakPolarHBondContact OG1-CB 3.32Å; T1332-K1352 PolarHBondContact OG1-N 3.03Å; T1332-Y1388 HydrophobicContact CG2-CE1 4.34Å |
| 1333 | G | 33.4 | Very low | 33 | Very low | 33 Ų | 33 | 87.9 Ų | 87.9 | 34% | 0.34 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.8 | 169.2 | -178 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1350 | G1333-V1350 PolarHBondContact O-N 3.45Å |
| 1334 | F | 38.4 | Very low | 33.3 | Very low | 151 Ų | 151 | 83.2 Ų | 83.2 | 66% | 0.662 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 148.5 | 168.9 | 62.6 | -85.1 | 0 | 0 | 0 | 108.3 | L1347 W1348 | F1334-L1347 HydrophobicContact CD2-CD1 4.41Å; F1334-W1348 CarbonylContact C-O 3.55Å; F1334-W1348 WeakPolarHBondContact CA-O 3.43Å; F1334-W1348 WeakPolarHBondContact CB-O 3.47Å |
| 1335 | S | 32.3 | Very low | 33.8 | Very low | 68 Ų | 68 | 80.1 Ų | 80.1 | 48% | 0.476 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 146.1 | 172.8 | -170 | 0 | 0 | 0 | 0 | 108.9 | W1348 | S1335-W1348 PolarHBondContact N-O 3.29Å; S1335-W1348 PolarHBondContact O-N 2.85Å |
| 1336 | F | 34 | Very low | 34 | Very low | 153 Ų | 153 | 81 Ų | 81 | 67% | 0.671 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.5 | 170.8 | 90.7 | -81.3 | 0 | 0 | 0 | 108.9 | R1346 L1347 | F1336-R1346 CarbonylContact C-O 3.56Å; F1336-R1346 WeakPolarHBondContact CA-O 3.23Å; F1336-L1347 HydrophobicContact CB-CD1 4.37Å |
| 1337 | E | 32.1 | Very low | 34.4 | Very low | 101 Ų | 101 | 80.8 Ų | 80.8 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 137.4 | 173.4 | -173.5 | 176 | -140.9 | 0 | 0 | 108 | R1346 | E1337-R1346 HydrophobicContact CB-CB 4.43Å; E1337-R1346 PolarHBondContact N-O 2.9Å; E1337-R1346 PolarHBondContact O-N 2.97Å; E1337-R1346 IonicContact OE2-NH1 2.76Å |
| 1338 | A | 35.6 | Very low | 34.7 | Very low | 42 Ų | 42 | 83.3 Ų | 83.3 | 35% | 0.347 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.8 | 175 | 0 | 0 | 0 | 0 | 0 | 108 | T1345 | A1338-T1345 HydrophobicContact CB-CG2 3.62Å |
| 1339 | D | 33.6 | Very low | 34.9 | Very low | 70 Ų | 70 | 81.7 Ų | 81.7 | 37% | 0.374 | 43% | 0.433 | S | S | . | . | trans | -57.6 | 144.5 | 164.3 | 173.9 | 13.5 | 0 | 0 | 0 | 109.3 | M1341 N1342 E1344 | D1339-M1341 PolarHBondContact O-N 3.08Å; D1339-M1341 VanDerWaalsContact O-N 3.09Å; D1339-M1341 PolarHBondContact OD1-N 3.3Å; D1339-M1341 VanDerWaalsContact OD1-N 3.13Å; D1339-M1341 WeakPolarHBondContact OD2-CB 3.33Å; D1339-N1342 PolarHBondContact O-N 2.95Å; D1339-E1344 HydrophobicContact CB-CB 4.49Å; D1339-E1344 PolarHBondContact N-O 3Å | ||
| 1340 | A | 37.4 | Very low | 35.2 | Very low | 98 Ų | 98 | 81.8 Ų | 81.8 | 81% | 0.81 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -25 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1341 | M | 36 | Very low | 35.4 | Very low | 137 Ų | 137 | 78.8 Ų | 78.8 | 68% | 0.675 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -4.1 | 174.7 | -59 | -61 | -66 | 0 | 0 | 114.5 | D1339 L1343 | D1339-M1341 PolarHBondContact O-N 3.08Å; D1339-M1341 VanDerWaalsContact O-N 3.09Å; D1339-M1341 PolarHBondContact OD1-N 3.3Å; D1339-M1341 VanDerWaalsContact OD1-N 3.13Å; D1339-M1341 WeakPolarHBondContact OD2-CB 3.33Å; M1341-L1343 HydrophobicContact CB-CD1 3.89Å; M1341-L1343 HydrophobicContact CB-CG 4Å; M1341-L1343 PolarHBondContact O-N 2.88Å |
| 1342 | N | 33.2 | Very low | 35.8 | Very low | 130 Ų | 130 | 81 Ų | 81 | 70% | 0.695 | 43% | 0.428 | S | S | * | . | S | Bend | trans | 54.3 | 15.3 | -172.5 | -70.8 | -57.2 | 0 | 0 | 0 | 115.1 | D1339 | D1339-N1342 PolarHBondContact O-N 2.95Š|
| 1343 | L | 39.6 | Very low | 36 | Very low | 100 Ų | 100 | 78.5 Ų | 78.5 | 52% | 0.524 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -76.4 | -29.8 | 178.2 | -70.9 | 169.7 | 0 | 0 | 0 | 112.3 | M1341 | M1341-L1343 HydrophobicContact CB-CD1 3.89Å; M1341-L1343 HydrophobicContact CB-CG 4Å; M1341-L1343 PolarHBondContact O-N 2.88Å |
| 1344 | E | 35.8 | Very low | 35.9 | Very low | 46 Ų | 46 | 79.8 Ų | 79.8 | 22% | 0.215 | 41% | 0.412 | C | S | . | . | trans | -127.6 | 129 | 175.5 | -157.4 | -167.9 | 163.2 | 0 | 0 | 109.9 | D1339 R1346 S1395 F1396 | D1339-E1344 HydrophobicContact CB-CB 4.49Å; D1339-E1344 PolarHBondContact N-O 3Å; E1344-R1346 HydrophobicContact CG-CG 4.23Å; E1344-R1346 WeakPolarHBondContact OE1-CG 3.37Å; E1344-R1346 IonicContact OE1-CZ 3.1Å; E1344-R1346 IonicContact OE1-NE 3.84Å; E1344-R1346 PolarHBondContact OE1-NE 2.86Å; E1344-R1346 IonicContact OE1-NH2 3.02Å; E1344-R1346 IonicContact OE2-CZ 3.87Å; E1344-R1346 VanDerWaalsContact OE2-CZ 3.27Å; E1344-R1346 IonicContact OE2-NE 2.96Å; E1344-R1346 PolarHBondContact OE2-NE 3.34Å; E1344-R1346 IonicContact OE2-NH2 3.35Å; E1344-R1346 PolarHBondContact OE2-NH2 3.02Å; E1344-S1395 VanDerWaalsContact CD-OG 3.26Å; E1344-S1395 WeakPolarHBondContact CG-OG 3.45Å; E1344-S1395 WeakPolarHBondContact OE1-CB 3.39Å; E1344-S1395 PolarHBondContact OE1-OG 3.01Å; E1344-F1396 WeakPolarHBondContact CA-O 3.11Å | ||
| 1345 | T | 34.8 | Very low | 35.9 | Very low | 51 Ų | 51 | 74.6 Ų | 74.6 | 31% | 0.313 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.8 | 162.7 | 23.6 | 0 | 0 | 0 | 0 | 108.6 | A1338 S1395 F1396 | A1338-T1345 HydrophobicContact CB-CG2 3.62Å; T1345-S1395 WeakPolarHBondContact O-CA 3.24Å; T1345-F1396 WeakPolarHBondContact O-CD2 3.28Å; T1345-F1396 PolarHBondContact O-N 3.41Å; T1345-F1396 VanDerWaalsContact O-N 3.14Å; T1345-F1396 WeakPolarHBondContact OG1-CD2 3.27Å |
| 1346 | R | 36.8 | Very low | 35.8 | Very low | 93 Ų | 93 | 73.4 Ų | 73.4 | 35% | 0.351 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.7 | -174.7 | -62.6 | 175.3 | -178.7 | 156.5 | 4.7 | 109 | F1336 E1337 E1344 F1393 L1394 | F1336-R1346 CarbonylContact C-O 3.56Å; F1336-R1346 WeakPolarHBondContact CA-O 3.23Å; E1337-R1346 HydrophobicContact CB-CB 4.43Å; E1337-R1346 PolarHBondContact N-O 2.9Å; E1337-R1346 PolarHBondContact O-N 2.97Å; E1337-R1346 IonicContact OE2-NH1 2.76Å; E1344-R1346 HydrophobicContact CG-CG 4.23Å; E1344-R1346 WeakPolarHBondContact OE1-CG 3.37Å; E1344-R1346 IonicContact OE1-CZ 3.1Å; E1344-R1346 IonicContact OE1-NE 3.84Å; E1344-R1346 PolarHBondContact OE1-NE 2.86Å; E1344-R1346 IonicContact OE1-NH2 3.02Å; E1344-R1346 IonicContact OE2-CZ 3.87Å; E1344-R1346 VanDerWaalsContact OE2-CZ 3.27Å; E1344-R1346 IonicContact OE2-NE 2.96Å; E1344-R1346 PolarHBondContact OE2-NE 3.34Å; E1344-R1346 IonicContact OE2-NH2 3.35Å; E1344-R1346 PolarHBondContact OE2-NH2 3.02Å; R1346-F1393 HydrophobicContact CB-CE2 4.22Å; R1346-F1393 HydrophobicContact CG-CE2 4.04Å; R1346-F1393 HydrophobicContact CG-CZ 4.39Å; R1346-L1394 CarbonylContact C-O 3.53Å; R1346-L1394 WeakPolarHBondContact CA-O 3.47Å |
| 1347 | L | 35.1 | Very low | 35.8 | Very low | 46 Ų | 46 | 68 Ų | 68 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 123.8 | 175 | -176.6 | 73.8 | 0 | 0 | 0 | 109.7 | F1334 F1336 I1349 L1394 F1396 | F1334-L1347 HydrophobicContact CD2-CD1 4.41Å; F1336-L1347 HydrophobicContact CB-CD1 4.37Å; L1347-I1349 HydrophobicContact CD2-CD1 4.13Å; L1347-I1349 HydrophobicContact CD2-CG1 4.25Å; L1347-I1349 HydrophobicContact CG-CG1 4.25Å; L1347-L1394 HydrophobicContact CB-CB 4.26Å; L1347-L1394 HydrophobicContact CD2-CD1 4.13Å; L1347-L1394 PolarHBondContact N-O 2.64Å; L1347-L1394 PolarHBondContact O-N 3.32Å; L1347-F1396 HydrophobicContact CB-CE2 4.49Å |
| 1348 | W | 36.5 | Very low | 35.8 | Very low | 105 Ų | 105 | 66.2 Ų | 66.2 | 40% | 0.398 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 127.3 | 173.8 | -59.9 | 84 | 0 | 0 | 0 | 109.1 | F1334 S1335 I1392 F1393 | F1334-W1348 CarbonylContact C-O 3.55Å; F1334-W1348 WeakPolarHBondContact CA-O 3.43Å; F1334-W1348 WeakPolarHBondContact CB-O 3.47Å; S1335-W1348 PolarHBondContact N-O 3.29Å; S1335-W1348 PolarHBondContact O-N 2.85Å; W1348-I1392 WeakPolarHBondContact CA-O 3.19Å; W1348-F1393 HydrophobicContact CZ2-CD2 4.4Å |
| 1349 | I | 37.9 | Very low | 35.7 | Very low | 35 Ų | 35 | 71 Ų | 71 | 18% | 0.179 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.9 | 173.5 | -57.6 | 176.4 | 0 | 0 | 0 | 108.2 | L1331 L1347 F1351 S1391 I1392 | L1331-I1349 HydrophobicContact CD1-CG2 4.33Å; L1331-I1349 HydrophobicContact CD2-CG2 3.56Å; L1347-I1349 HydrophobicContact CD2-CD1 4.13Å; L1347-I1349 HydrophobicContact CD2-CG1 4.25Å; L1347-I1349 HydrophobicContact CG-CG1 4.25Å; I1349-F1351 HydrophobicContact CB-CE2 4.28Å; I1349-F1351 HydrophobicContact CB-CZ 4.4Å; I1349-F1351 HydrophobicContact CG2-CE1 4.22Å; I1349-F1351 HydrophobicContact CG2-CE2 3.85Å; I1349-F1351 HydrophobicContact CG2-CZ 3.65Å; I1349-S1391 CarbonylContact O-C 3.58Å; I1349-S1391 WeakPolarHBondContact O-CA 3.4Å; I1349-I1392 HydrophobicContact CB-CB 4.48Å; I1349-I1392 PolarHBondContact N-O 3.37Å; I1349-I1392 PolarHBondContact O-N 3.34Å |
| 1350 | V | 39.1 | Very low | 35.8 | Very low | 43 Ų | 43 | 73.5 Ų | 73.5 | 26% | 0.261 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 120.4 | -176.6 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | T1332 G1333 Y1388 | T1332-V1350 PolarHBondContact N-O 2.72Å; T1332-V1350 PolarHBondContact OG1-O 2.87Å; G1333-V1350 PolarHBondContact O-N 3.45Å; V1350-Y1388 HydrophobicContact CG1-CD1 4.06Å; V1350-Y1388 HydrophobicContact CG1-CG 4.28Å |
| 1351 | F | 37.2 | Very low | 35.8 | Very low | 16 Ų | 16 | 78 Ų | 78 | 7% | 0.07 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 129.1 | -176.4 | -65 | -83.7 | 0 | 0 | 0 | 112.1 | I1329 L1331 I1349 L1389 W1390 I1392 | I1329-F1351 HydrophobicContact CG2-CD1 3.37Å; I1329-F1351 HydrophobicContact CG2-CE1 3.61Å; L1331-F1351 HydrophobicContact CD2-CD1 3.51Å; L1331-F1351 HydrophobicContact CD2-CE1 3.32Å; L1331-F1351 HydrophobicContact CD2-CG 4.38Å; L1331-F1351 HydrophobicContact CD2-CZ 4.05Å; I1349-F1351 HydrophobicContact CB-CE2 4.28Å; I1349-F1351 HydrophobicContact CB-CZ 4.4Å; I1349-F1351 HydrophobicContact CG2-CE1 4.22Å; I1349-F1351 HydrophobicContact CG2-CE2 3.85Å; I1349-F1351 HydrophobicContact CG2-CZ 3.65Å; F1351-L1389 PolarHBondContact O-N 3.15Å; F1351-W1390 AromaticContact CD2-CD2 3.87Å; F1351-W1390 HydrophobicContact CD2-CD2 3.87Å; F1351-W1390 AromaticContact CD2-CE3 3.8Å; F1351-W1390 HydrophobicContact CD2-CE3 3.8Å; F1351-W1390 HydrophobicContact CD2-CH2 4.31Å; F1351-W1390 HydrophobicContact CD2-CZ2 4.36Å; F1351-W1390 HydrophobicContact CD2-CZ3 4.06Å; F1351-W1390 WeakPolarHBondContact CD2-O 3.42Å; F1351-W1390 HydrophobicContact CE2-CD2 4.45Å; F1351-W1390 AromaticContact CE2-CE3 3.94Å; F1351-W1390 HydrophobicContact CE2-CE3 3.94Å; F1351-W1390 HydrophobicContact CE2-CH2 4.13Å; F1351-W1390 AromaticContact CE2-CZ3 3.81Å; F1351-W1390 HydrophobicContact CE2-CZ3 3.81Å; F1351-W1390 HydrophobicContact CG-CD2 4.37Å; F1351-W1390 HydrophobicContact CG-CZ2 4.38Å; F1351-W1390 HydrophobicContact CZ-CH2 4.29Å; F1351-W1390 HydrophobicContact CZ-CZ3 4.34Å; F1351-W1390 PolarHBondContact N-O 3.5Å; F1351-W1390 VanDerWaalsContact N-O 3.08Å; F1351-I1392 HydrophobicContact CE2-CB 4.16Å; F1351-I1392 HydrophobicContact CE2-CD1 3.66Å; F1351-I1392 HydrophobicContact CE2-CG1 3.67Å; F1351-I1392 HydrophobicContact CZ-CD1 3.63Å; F1351-I1392 HydrophobicContact CZ-CG1 4.19Å |
| 1352 | K | 36.7 | Very low | 35.6 | Very low | 118 Ų | 118 | 78.1 Ų | 78.1 | 51% | 0.513 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | -46.7 | -179.9 | -167.8 | -179.5 | -174.5 | 178.9 | 0 | 112.3 | Q1330 T1332 | Q1330-K1352 HydrophobicContact CB-CB 4.18Å; Q1330-K1352 PolarHBondContact O-N 3.07Å; T1332-K1352 HydrophobicContact CG2-CB 4.04Å; T1332-K1352 HydrophobicContact CG2-CD 4.1Å; T1332-K1352 HydrophobicContact CG2-CG 3.98Å; T1332-K1352 WeakPolarHBondContact OG1-CA 3.23Å; T1332-K1352 WeakPolarHBondContact OG1-CB 3.32Å; T1332-K1352 PolarHBondContact OG1-N 3.03Å |
| 1353 | S | 40.7 | Very low | 35.4 | Very low | 13 Ų | 13 | 75.9 Ų | 75.9 | 9% | 0.091 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 148.1 | -177.9 | 71.6 | 0 | 0 | 0 | 0 | 111.6 | Q1330 | Q1330-S1353 WeakPolarHBondContact CB-OG 3.47Å; Q1330-S1353 PolarHBondContact N-O 3.02Å; Q1330-S1353 PolarHBondContact O-N 3.21Å; Q1330-S1353 PolarHBondContact OE1-OG 3.33Å |
| 1354 | L | 31.8 | Very low | 34.9 | Very low | 60 Ų | 60 | 79.2 Ų | 79.2 | 31% | 0.314 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 117 | 168.8 | -174.5 | 84.3 | 0 | 0 | 0 | 107.3 | V1327 I1329 L1356 | V1327-L1354 HydrophobicContact CG1-CD1 3.95Å; I1329-L1354 HydrophobicContact CD1-CD1 4.39Å; I1329-L1354 HydrophobicContact CG1-CD1 4.04Å; L1354-L1356 HydrophobicContact CD2-CD1 3.83Å; L1354-L1356 HydrophobicContact CG-CD1 4.24Å |
| 1355 | Q | 37.8 | Very low | 34.5 | Very low | 42 Ų | 42 | 81.8 Ų | 81.8 | 20% | 0.196 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 119.9 | 178.8 | -67.4 | -179.3 | -10.7 | 0 | 0 | 109.4 | I1328 F1357 H1365 | I1328-Q1355 HydrophobicContact CB-CB 4.39Å; I1328-Q1355 PolarHBondContact N-O 2.93Å; I1328-Q1355 PolarHBondContact O-N 3.09Å; Q1355-F1357 HydrophobicContact CB-CE2 3.8Å; Q1355-F1357 HydrophobicContact CB-CZ 4.43Å; Q1355-H1365 PolarHBondContact NE2-CD2 3.14Å; Q1355-H1365 VanDerWaalsContact NE2-CD2 3.25Å; Q1355-H1365 PolarHBondContact NE2-NE2 3.27Å |
| 1356 | L | 31.3 | Very low | 34.1 | Very low | 43 Ų | 43 | 82.7 Ų | 82.7 | 23% | 0.225 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 131.4 | 173.8 | -70.7 | 107.3 | 0 | 0 | 0 | 110.1 | M1324 V1327 L1354 F1364 | M1324-L1356 HydrophobicContact CE-CD2 3.59Å; M1324-L1356 HydrophobicContact SD-CD2 3.73Å; V1327-L1356 HydrophobicContact CG2-CD2 3.99Å; V1327-L1356 HydrophobicContact CG2-CG 4.2Å; L1354-L1356 HydrophobicContact CD2-CD1 3.83Å; L1354-L1356 HydrophobicContact CG-CD1 4.24Å; L1356-F1364 PolarHBondContact O-N 3.08Å |
| 1357 | F | 32.3 | Very low | 33.6 | Very low | 40 Ų | 40 | 81.6 Ų | 81.6 | 18% | 0.175 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 112.6 | 176.9 | -67.5 | -95.3 | 0 | 0 | 0 | 108.9 | S1325 S1326 I1328 Q1355 | S1325-F1357 PolarHBondContact N-O 3.13Å; S1325-F1357 PolarHBondContact OG-O 2.74Å; S1326-F1357 PolarHBondContact N-O 3.35Å; S1326-F1357 PolarHBondContact O-N 3.31Å; S1326-F1357 WeakPolarHBondContact OG-CB 3.27Å; I1328-F1357 HydrophobicContact CB-CE2 4.04Å; I1328-F1357 HydrophobicContact CD1-CD2 4.19Å; I1328-F1357 HydrophobicContact CD1-CE2 3.49Å; I1328-F1357 VanDerWaalsContact CD1-CE2 3.49Å; I1328-F1357 HydrophobicContact CD1-CZ 3.99Å; I1328-F1357 HydrophobicContact CG1-CD2 4.06Å; I1328-F1357 HydrophobicContact CG1-CE2 3.67Å; Q1355-F1357 HydrophobicContact CB-CE2 3.8Å; Q1355-F1357 HydrophobicContact CB-CZ 4.43Å |
| 1358 | M | 32.5 | Very low | 33.1 | Very low | 62 Ų | 62 | 86.6 Ų | 86.6 | 31% | 0.305 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -33.6 | 175 | -68.8 | -70 | 179.6 | 0 | 0 | 111.3 | M1324 | M1324-M1358 HydrophobicContact CB-SD 4.43Å; M1324-M1358 HydrophobicContact CE-CE 3.57Å; M1324-M1358 HydrophobicContact CG-CE 3.76Å; M1324-M1358 HydrophobicContact CG-SD 3.6Å; M1324-M1358 HydrophobicContact SD-CE 4.48Å |
| 1359 | K | 34.6 | Very low | 32.4 | Very low | 142 Ų | 142 | 85 Ų | 85 | 62% | 0.617 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 165.5 | 174.5 | -85.4 | 176.3 | -175.6 | 169.9 | 0 | 109.3 | E1361 E1362 | K1359-E1361 PolarHBondContact O-N 3.18Å; K1359-E1361 VanDerWaalsContact O-N 3.11Å; K1359-E1362 PolarHBondContact O-N 3.31Å |
| 1360 | P | 35.5 | Very low | 31.7 | Very low | 124 Ų | 124 | 87 Ų | 87 | 81% | 0.805 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -21.2 | -178.6 | -26 | 35.7 | 0 | 0 | 0 | 116.1 | ||
| 1361 | E | 37.3 | Very low | 30.8 | Very low | 191 Ų | 191 | 90.4 Ų | 90.4 | 89% | 0.893 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | -2.4 | -173.4 | -62.1 | -173.6 | 168.7 | 0 | 0 | 114.3 | K1359 | K1359-E1361 PolarHBondContact O-N 3.18Å; K1359-E1361 VanDerWaalsContact O-N 3.11Å |
| 1362 | E | 31.2 | Very low | 30.1 | Very low | 140 Ų | 140 | 101.3 Ų | 101.3 | 65% | 0.654 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 105.5 | 174.1 | -74.9 | -177 | 164.1 | 0 | 0 | 110.1 | K1359 | K1359-E1362 PolarHBondContact O-N 3.31Å |
| 1363 | S | 29.6 | Very low | 29.4 | Very low | 84 Ų | 84 | 99.9 Ų | 99.9 | 59% | 0.587 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.9 | 173 | 62.3 | 0 | 0 | 0 | 0 | 110 | ||
| 1364 | F | 29.2 | Very low | 28.6 | Very low | 170 Ų | 170 | 108.5 Ų | 108.5 | 75% | 0.746 | 58% | 0.581 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.2 | 98.5 | 169.6 | -130.4 | -84.6 | 0 | 0 | 0 | 109.4 | L1356 C1366 | L1356-F1364 PolarHBondContact O-N 3.08Å; F1364-C1366 PolarHBondContact O-N 2.6Å |
| 1365 | H | 26.1 | Very low | 28.2 | Very low | 100 Ų | 100 | 111.5 Ų | 111.5 | 46% | 0.463 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 92.4 | 178.8 | -161.7 | -80.3 | 0 | 0 | 0 | 109.8 | Q1355 S1367 | Q1355-H1365 PolarHBondContact NE2-CD2 3.14Å; Q1355-H1365 VanDerWaalsContact NE2-CD2 3.25Å; Q1355-H1365 PolarHBondContact NE2-NE2 3.27Å; H1365-S1367 WeakPolarHBondContact ND1-CB 3.4Å; H1365-S1367 PolarHBondContact ND1-OG 3.21Å; H1365-S1367 PolarHBondContact O-N 3.07Å |
| 1366 | C | 27.2 | Very low | 27.6 | Very low | 69 Ų | 69 | 117 Ų | 117 | 47% | 0.466 | 64% | 0.635 | S | S | . | * | trans | -77.4 | 74.6 | 172.6 | -164.2 | 0 | 0 | 0 | 0 | 110.5 | F1364 | F1364-C1366 PolarHBondContact O-N 2.6Š| ||
| 1367 | S | 25.8 | Very low | 27.4 | Very low | 71 Ų | 71 | 120.5 Ų | 120.5 | 50% | 0.497 | 66% | 0.66 | S | S | . | * | trans | -95 | 108.5 | 158.4 | 44 | 0 | 0 | 0 | 0 | 107.8 | H1365 A1369 | H1365-S1367 WeakPolarHBondContact ND1-CB 3.4Å; H1365-S1367 PolarHBondContact ND1-OG 3.21Å; H1365-S1367 PolarHBondContact O-N 3.07Å; S1367-A1369 PolarHBondContact O-N 3.11Å | ||
| 1368 | I | 24.3 | Very low | 27.2 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | trans | -75 | 79.7 | 165.4 | -58.8 | 180 | 0 | 0 | 0 | 106.4 | S1370 | I1368-S1370 PolarHBondContact O-N 3.35Š| ||
| 1369 | A | 22.9 | Very low | 26.8 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 60% | 0.595 | 72% | 0.721 | S | S | * | * | trans | -71.2 | 124 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110 | S1367 S1371 | S1367-A1369 PolarHBondContact O-N 3.11Å; A1369-S1371 PolarHBondContact O-N 3.33Å; A1369-S1371 VanDerWaalsContact O-N 3.14Å | ||
| 1370 | S | 22.8 | Very low | 26.3 | Very low | 77 Ų | 77 | 136 Ų | 136 | 54% | 0.538 | 73% | 0.731 | S | S | . | * | trans | -64.7 | 112.1 | 170.1 | -170.1 | 0 | 0 | 0 | 0 | 109.1 | I1368 R1372 | I1368-S1370 PolarHBondContact O-N 3.35Å; S1370-R1372 PolarHBondContact O-N 3.12Å | ||
| 1371 | S | 21.1 | Very low | 25.6 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | trans | -70.2 | 117.5 | -175.3 | 56.4 | 0 | 0 | 0 | 0 | 111.6 | A1369 | A1369-S1371 PolarHBondContact O-N 3.33Å; A1369-S1371 VanDerWaalsContact O-N 3.14Å | ||
| 1372 | R | 22 | Very low | 24.9 | Very low | 246 Ų | 246 | 135.3 Ų | 135.3 | 93% | 0.928 | 72% | 0.722 | S | S | * | * | trans | -148.5 | 140.4 | 158.9 | -153.9 | 153.3 | -172 | 160.3 | 1.2 | 114 | S1370 | S1370-R1372 PolarHBondContact O-N 3.12Š| ||
| 1373 | A | 21.7 | Very low | 24.4 | Very low | 87 Ų | 87 | 135.5 Ų | 135.5 | 72% | 0.719 | 72% | 0.721 | S | S | * | * | trans | -67.3 | 156.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1375 | A1373-P1375 WeakPolarHBondContact O-CD 3.03Š| ||
| 1374 | E | 23.4 | Very low | 24.1 | Very low | 195 Ų | 195 | 138.3 Ų | 138.3 | 91% | 0.911 | 73% | 0.734 | S | S | * | * | trans | -60.4 | 136.9 | 178.9 | -57.6 | 175.9 | 139.6 | 0 | 0 | 113.1 | ||||
| 1375 | P | 24.2 | Very low | 23.7 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | trans | -128.7 | 158.1 | 150.6 | 19.8 | 2.2 | 0 | 0 | 0 | 112.6 | A1373 | A1373-P1375 WeakPolarHBondContact O-CD 3.03Š| ||
| 1376 | D | 24.4 | Very low | 23.8 | Very low | 158 Ų | 158 | 135.5 Ų | 135.5 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | trans | -56.7 | 145.8 | -168.1 | -94.4 | -59.2 | 0 | 0 | 0 | 116.7 | K1378 | D1376-K1378 PolarHBondContact O-N 2.8Å; D1376-K1378 VanDerWaalsContact O-N 3.07Å | ||
| 1377 | P | 26.8 | Very low | 23.8 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -80.9 | 89.4 | -179.7 | 33.3 | -34.4 | 0 | 0 | 0 | 111.8 | ||
| 1378 | K | 28.1 | Very low | 24 | Very low | 196 Ų | 196 | 141.2 Ų | 141.2 | 85% | 0.852 | 74% | 0.741 | S | S | * | * | trans | -170.5 | 59.9 | 165.1 | -106.6 | 151.2 | -167.1 | 174 | 0 | 115.3 | D1376 | D1376-K1378 PolarHBondContact O-N 2.8Å; D1376-K1378 VanDerWaalsContact O-N 3.07Å | ||
| 1379 | Q | 25 | Very low | 24.5 | Very low | 193 Ų | 193 | 138 Ų | 138 | 90% | 0.902 | 73% | 0.725 | S | S | * | * | trans | -165.7 | 131.4 | 147.2 | -109.8 | 153 | 17.3 | 0 | 0 | 111 | ||||
| 1380 | H | 22.9 | Very low | 25.1 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 84% | 0.838 | 72% | 0.716 | S | S | * | * | trans | -84.3 | 120 | 159 | -77.9 | -101.8 | 0 | 0 | 0 | 106.8 | ||||
| 1381 | D | 22.3 | Very low | 25.6 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | 179 | 137.7 | 117.2 | -84.6 | -23 | 0 | 0 | 0 | 111.8 | |||||
| 1382 | E | 22 | Very low | 26.3 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | S | Bend | trans | 66.7 | 129.5 | 166.3 | -63.6 | -162.8 | 148 | 0 | 0 | 122.8 | ||
| 1383 | F | 21.3 | Very low | 26.9 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 63% | 0.627 | 66% | 0.662 | S | S | * | * | trans | 63.7 | 95.2 | 166.8 | -58.3 | -70.9 | 0 | 0 | 0 | 120.5 | ||||
| 1384 | V | 22 | Very low | 27.4 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 87% | 0.867 | 64% | 0.641 | S | S | * | * | trans | -121.4 | 101.3 | 146.9 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | S1386 | V1384-S1386 PolarHBondContact O-N 2.95Š| ||
| 1385 | Q | 22.8 | Very low | 28 | Very low | 146 Ų | 146 | 119 Ų | 119 | 68% | 0.682 | 61% | 0.605 | S | S | * | * | trans | -17.7 | 109.9 | 153.5 | -174.7 | 174.9 | 6.8 | 0 | 0 | 113.8 | ||||
| 1386 | S | 27.7 | Very low | 28.6 | Very low | 65 Ų | 65 | 116.2 Ų | 116.2 | 46% | 0.455 | 58% | 0.581 | S | S | . | * | trans | -94.3 | 135 | -176.1 | 40.1 | 0 | 0 | 0 | 0 | 113.3 | V1384 Y1388 | V1384-S1386 PolarHBondContact O-N 2.95Å; S1386-Y1388 PolarHBondContact O-N 3.46Å; S1386-Y1388 WeakPolarHBondContact OG-CE2 3.4Å | ||
| 1387 | D | 27.4 | Very low | 28.9 | Very low | 115 Ų | 115 | 112 Ų | 112 | 62% | 0.615 | 58% | 0.575 | S | S | * | * | trans | -73.1 | 56.7 | -172.7 | -52.4 | -69 | 0 | 0 | 0 | 114.3 | ||||
| 1388 | Y | 29.4 | Very low | 29.1 | Very low | 146 Ų | 146 | 108.3 Ų | 108.3 | 57% | 0.573 | 56% | 0.558 | S | S | * | * | trans | -84.9 | 118 | 174 | -53.1 | -45.4 | 0 | 0 | 0 | 110.4 | T1332 V1350 S1386 | T1332-Y1388 HydrophobicContact CG2-CE1 4.34Å; V1350-Y1388 HydrophobicContact CG1-CD1 4.06Å; V1350-Y1388 HydrophobicContact CG1-CG 4.28Å; S1386-Y1388 PolarHBondContact O-N 3.46Å; S1386-Y1388 WeakPolarHBondContact OG-CE2 3.4Å | ||
| 1389 | L | 35 | Very low | 29.5 | Very low | 81 Ų | 81 | 104.5 Ų | 104.5 | 42% | 0.424 | 55% | 0.547 | S | S | . | . | trans | -70.9 | -45.9 | -176.7 | -94.7 | 154.4 | 0 | 0 | 0 | 112.1 | F1351 | F1351-L1389 PolarHBondContact O-N 3.15Š| ||
| 1390 | W | 34.2 | Very low | 29.8 | Very low | 108 Ų | 108 | 100.2 Ų | 100.2 | 41% | 0.409 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.8 | 173.8 | 175.7 | 43.1 | -77.9 | 0 | 0 | 0 | 110.9 | F1351 I1392 | F1351-W1390 AromaticContact CD2-CD2 3.87Å; F1351-W1390 HydrophobicContact CD2-CD2 3.87Å; F1351-W1390 AromaticContact CD2-CE3 3.8Å; F1351-W1390 HydrophobicContact CD2-CE3 3.8Å; F1351-W1390 HydrophobicContact CD2-CH2 4.31Å; F1351-W1390 HydrophobicContact CD2-CZ2 4.36Å; F1351-W1390 HydrophobicContact CD2-CZ3 4.06Å; F1351-W1390 WeakPolarHBondContact CD2-O 3.42Å; F1351-W1390 HydrophobicContact CE2-CD2 4.45Å; F1351-W1390 AromaticContact CE2-CE3 3.94Å; F1351-W1390 HydrophobicContact CE2-CE3 3.94Å; F1351-W1390 HydrophobicContact CE2-CH2 4.13Å; F1351-W1390 AromaticContact CE2-CZ3 3.81Å; F1351-W1390 HydrophobicContact CE2-CZ3 3.81Å; F1351-W1390 HydrophobicContact CG-CD2 4.37Å; F1351-W1390 HydrophobicContact CG-CZ2 4.38Å; F1351-W1390 HydrophobicContact CZ-CH2 4.29Å; F1351-W1390 HydrophobicContact CZ-CZ3 4.34Å; F1351-W1390 PolarHBondContact N-O 3.5Å; F1351-W1390 VanDerWaalsContact N-O 3.08Å; W1390-I1392 HydrophobicContact CE3-CG1 3.99Å; W1390-I1392 HydrophobicContact CH2-CD1 4.21Å; W1390-I1392 HydrophobicContact CZ3-CD1 3.63Å; W1390-I1392 HydrophobicContact CZ3-CG1 3.5Å; W1390-I1392 VanDerWaalsContact CZ3-CG1 3.5Å |
| 1391 | S | 34.6 | Very low | 30.3 | Very low | 67 Ų | 67 | 96.6 Ų | 96.6 | 47% | 0.469 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 150.8 | 171.2 | 55.4 | 0 | 0 | 0 | 0 | 112.2 | I1349 | I1349-S1391 CarbonylContact O-C 3.58Å; I1349-S1391 WeakPolarHBondContact O-CA 3.4Å |
| 1392 | I | 35.7 | Very low | 30.6 | Very low | 51 Ų | 51 | 96.7 Ų | 96.7 | 26% | 0.262 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138.2 | 166.9 | -71.3 | 171.4 | 0 | 0 | 0 | 109 | W1348 I1349 F1351 W1390 L1394 | W1348-I1392 WeakPolarHBondContact CA-O 3.19Å; I1349-I1392 HydrophobicContact CB-CB 4.48Å; I1349-I1392 PolarHBondContact N-O 3.37Å; I1349-I1392 PolarHBondContact O-N 3.34Å; F1351-I1392 HydrophobicContact CE2-CB 4.16Å; F1351-I1392 HydrophobicContact CE2-CD1 3.66Å; F1351-I1392 HydrophobicContact CE2-CG1 3.67Å; F1351-I1392 HydrophobicContact CZ-CD1 3.63Å; F1351-I1392 HydrophobicContact CZ-CG1 4.19Å; W1390-I1392 HydrophobicContact CE3-CG1 3.99Å; W1390-I1392 HydrophobicContact CH2-CD1 4.21Å; W1390-I1392 HydrophobicContact CZ3-CD1 3.63Å; W1390-I1392 HydrophobicContact CZ3-CG1 3.5Å; W1390-I1392 VanDerWaalsContact CZ3-CG1 3.5Å; I1392-L1394 HydrophobicContact CG2-CD1 4.47Å; I1392-L1394 HydrophobicContact CG2-CG 4.23Å |
| 1393 | F | 33.7 | Very low | 30.8 | Very low | 90 Ų | 90 | 97.2 Ų | 97.2 | 40% | 0.395 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 131.3 | 170.8 | 175.1 | -99.7 | 0 | 0 | 0 | 109.6 | R1346 W1348 S1395 | R1346-F1393 HydrophobicContact CB-CE2 4.22Å; R1346-F1393 HydrophobicContact CG-CE2 4.04Å; R1346-F1393 HydrophobicContact CG-CZ 4.39Å; W1348-F1393 HydrophobicContact CZ2-CD2 4.4Å; F1393-S1395 VanDerWaalsContact CE1-CB 3.47Å; F1393-S1395 VanDerWaalsContact CZ-CB 3.42Å |
| 1394 | L | 33.5 | Very low | 31 | Very low | 54 Ų | 54 | 96.4 Ų | 96.4 | 28% | 0.283 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 124.8 | 168.2 | -74.3 | 157.4 | 0 | 0 | 0 | 107.5 | R1346 L1347 I1392 F1396 L1430 | R1346-L1394 CarbonylContact C-O 3.53Å; R1346-L1394 WeakPolarHBondContact CA-O 3.47Å; L1347-L1394 HydrophobicContact CB-CB 4.26Å; L1347-L1394 HydrophobicContact CD2-CD1 4.13Å; L1347-L1394 PolarHBondContact N-O 2.64Å; L1347-L1394 PolarHBondContact O-N 3.32Å; I1392-L1394 HydrophobicContact CG2-CD1 4.47Å; I1392-L1394 HydrophobicContact CG2-CG 4.23Å; L1394-F1396 HydrophobicContact CB-CZ 4.18Å; L1394-L1430 HydrophobicContact CD2-CD1 4.05Å |
| 1395 | S | 35.3 | Very low | 31.2 | Very low | 23 Ų | 23 | 94.3 Ų | 94.3 | 16% | 0.161 | 52% | 0.522 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 138.8 | 174 | 168 | 0 | 0 | 0 | 0 | 109.9 | E1344 T1345 F1393 | E1344-S1395 VanDerWaalsContact CD-OG 3.26Å; E1344-S1395 WeakPolarHBondContact CG-OG 3.45Å; E1344-S1395 WeakPolarHBondContact OE1-CB 3.39Å; E1344-S1395 PolarHBondContact OE1-OG 3.01Å; T1345-S1395 WeakPolarHBondContact O-CA 3.24Å; F1393-S1395 VanDerWaalsContact CE1-CB 3.47Å; F1393-S1395 VanDerWaalsContact CZ-CB 3.42Å |
| 1396 | F | 36 | Very low | 31.4 | Very low | 65 Ų | 65 | 97.2 Ų | 97.2 | 29% | 0.285 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.6 | -176.3 | -46 | -74.5 | 0 | 0 | 0 | 108.7 | E1344 T1345 L1347 L1394 W1428 | E1344-F1396 WeakPolarHBondContact CA-O 3.11Å; T1345-F1396 WeakPolarHBondContact O-CD2 3.28Å; T1345-F1396 PolarHBondContact O-N 3.41Å; T1345-F1396 VanDerWaalsContact O-N 3.14Å; T1345-F1396 WeakPolarHBondContact OG1-CD2 3.27Å; L1347-F1396 HydrophobicContact CB-CE2 4.49Å; L1394-F1396 HydrophobicContact CB-CZ 4.18Å; F1396-W1428 AromaticContact CD1-CH2 3.93Å; F1396-W1428 HydrophobicContact CD1-CH2 3.93Å; F1396-W1428 AromaticContact CD1-CZ2 3.4Å; F1396-W1428 HydrophobicContact CD1-CZ2 3.4Å; F1396-W1428 AromaticContact CE1-CH2 3.38Å; F1396-W1428 HydrophobicContact CE1-CH2 3.38Å; F1396-W1428 AromaticContact CE1-CZ2 3.38Å; F1396-W1428 HydrophobicContact CE1-CZ2 3.38Å; F1396-W1428 HydrophobicContact CE1-CZ3 4.38Å; F1396-W1428 HydrophobicContact CZ-CH2 4.32Å |
| 1397 | G | 32.3 | Very low | 31.2 | Very low | 70 Ų | 70 | 101.5 Ų | 101.5 | 72% | 0.722 | 55% | 0.55 | S | S | * | . | trans | -133.2 | 137.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1398 | G | 30.4 | Very low | 31.1 | Very low | 37 Ų | 37 | 105.5 Ų | 105.5 | 38% | 0.381 | 56% | 0.562 | S | S | . | * | trans | -137.7 | 134.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110 | P1400 | G1398-P1400 WeakPolarHBondContact O-CD 3.21Š| ||
| 1399 | D | 36.3 | Very low | 30.8 | Very low | 116 Ų | 116 | 105.7 Ų | 105.7 | 62% | 0.62 | 57% | 0.572 | S | S | * | * | trans | -70 | 120.6 | -175.5 | -166 | -24.7 | 0 | 0 | 0 | 111 | T1401 | D1399-T1401 PolarHBondContact O-N 2.82Å; D1399-T1401 WeakPolarHBondContact OD1-CG2 3.49Å; D1399-T1401 PolarHBondContact OD1-N 3.17Å; D1399-T1401 PolarHBondContact OD1-OG1 2.66Å; D1399-T1401 PolarHBondContact OD2-OG1 3.38Å | ||
| 1400 | P | 32.1 | Very low | 30.4 | Very low | 103 Ų | 103 | 106.9 Ų | 106.9 | 67% | 0.669 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -7.8 | 179.3 | 30.2 | -36.9 | 0 | 0 | 0 | 113.9 | G1398 L1402 | G1398-P1400 WeakPolarHBondContact O-CD 3.21Å; P1400-L1402 PolarHBondContact O-N 3.19Å |
| 1401 | T | 31.6 | Very low | 30.1 | Very low | 104 Ų | 104 | 108.8 Ų | 108.8 | 64% | 0.638 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -1.2 | -177.6 | 66.3 | 0 | 0 | 0 | 0 | 114.8 | D1399 E1403 | D1399-T1401 PolarHBondContact O-N 2.82Å; D1399-T1401 WeakPolarHBondContact OD1-CG2 3.49Å; D1399-T1401 PolarHBondContact OD1-N 3.17Å; D1399-T1401 PolarHBondContact OD1-OG1 2.66Å; D1399-T1401 PolarHBondContact OD2-OG1 3.38Å; T1401-E1403 VanDerWaalsContact C-N 3.29Å; T1401-E1403 PolarHBondContact O-N 3.29Å |
| 1402 | L | 30.1 | Very low | 29.8 | Very low | 156 Ų | 156 | 109.6 Ų | 109.6 | 82% | 0.817 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -71.6 | 89.6 | 169 | -153.9 | 87 | 0 | 0 | 0 | 109.3 | P1400 V1404 | P1400-L1402 PolarHBondContact O-N 3.19Å; L1402-V1404 PolarHBondContact O-N 3.44Å; L1402-V1404 VanDerWaalsContact O-N 3.08Å |
| 1403 | E | 25.3 | Very low | 29.4 | Very low | 159 Ų | 159 | 117.8 Ų | 117.8 | 74% | 0.743 | 64% | 0.643 | S | S | * | * | trans | -47.1 | 114 | -169.9 | -60.7 | -175.3 | 129.1 | 0 | 0 | 112.5 | T1401 T1405 | T1401-E1403 VanDerWaalsContact C-N 3.29Å; T1401-E1403 PolarHBondContact O-N 3.29Å; E1403-T1405 HydrophobicContact CB-CG2 4.23Å; E1403-T1405 WeakPolarHBondContact CB-OG1 3.45Å; E1403-T1405 PolarHBondContact O-N 3.3Å | ||
| 1404 | V | 26.6 | Very low | 29.2 | Very low | 125 Ų | 125 | 120.1 Ų | 120.1 | 76% | 0.758 | 66% | 0.658 | S | S | * | * | trans | -69.8 | 14 | -179.6 | -173.2 | 0 | 0 | 0 | 0 | 112.1 | L1402 K1406 | L1402-V1404 PolarHBondContact O-N 3.44Å; L1402-V1404 VanDerWaalsContact O-N 3.08Å; V1404-K1406 VanDerWaalsContact C-N 3.25Å; V1404-K1406 PolarHBondContact O-N 2.83Å | ||
| 1405 | T | 25.8 | Very low | 28.8 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 61% | 0.613 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 57.6 | -174.4 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | E1403 | E1403-T1405 HydrophobicContact CB-CG2 4.23Å; E1403-T1405 WeakPolarHBondContact CB-OG1 3.45Å; E1403-T1405 PolarHBondContact O-N 3.3Å |
| 1406 | K | 26.3 | Very low | 28.4 | Very low | 207 Ų | 207 | 128.1 Ų | 128.1 | 90% | 0.9 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -175.4 | 18.6 | 152.8 | -104.2 | 154.5 | -166.7 | 173.2 | 0 | 117.1 | V1404 | V1404-K1406 VanDerWaalsContact C-N 3.25Å; V1404-K1406 PolarHBondContact O-N 2.83Å |
| 1407 | L | 23.4 | Very low | 27.9 | Very low | 155 Ų | 155 | 132.5 Ų | 132.5 | 81% | 0.812 | 71% | 0.709 | S | S | * | * | trans | -99.5 | 96.8 | 170.3 | -90.3 | 147 | 0 | 0 | 0 | 111.3 | L1409 | L1407-L1409 PolarHBondContact O-N 3.18Š| ||
| 1408 | K | 26.1 | Very low | 27.6 | Very low | 199 Ų | 199 | 134.6 Ų | 134.6 | 87% | 0.865 | 70% | 0.703 | S | S | * | * | trans | -58.8 | 108.4 | 169.9 | -79.7 | -177.3 | 174.8 | 179.1 | 0 | 108.9 | P1410 | K1408-P1410 WeakPolarHBondContact O-CD 3.48Š| ||
| 1409 | L | 23.6 | Very low | 27.3 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | trans | -59.7 | 113.8 | -177.1 | -156.5 | 76.2 | 0 | 0 | 0 | 110.6 | L1407 T1411 | L1407-L1409 PolarHBondContact O-N 3.18Å; L1409-T1411 PolarHBondContact O-N 3.1Å | ||
| 1410 | P | 25.7 | Very low | 26.9 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 69% | 0.688 | 71% | 0.712 | S | S | * | * | trans | -70.3 | 129.8 | 174.6 | -13.5 | 29.6 | 0 | 0 | 0 | 108.8 | K1408 S1412 | K1408-P1410 WeakPolarHBondContact O-CD 3.48Å; P1410-S1412 PolarHBondContact O-N 3.46Å | ||
| 1411 | T | 27.6 | Very low | 26.5 | Very low | 149 Ų | 149 | 138 Ų | 138 | 91% | 0.914 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -73.5 | 18.8 | -164.7 | 42.2 | 0 | 0 | 0 | 0 | 115.9 | L1409 | L1409-T1411 PolarHBondContact O-N 3.1Š|
| 1412 | S | 28.9 | Very low | 26.3 | Very low | 83 Ų | 83 | 136.1 Ų | 136.1 | 58% | 0.58 | 70% | 0.695 | S | S | * | * | trans | -161.9 | 78.5 | -177.6 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | P1410 | P1410-S1412 PolarHBondContact O-N 3.46Š| ||
| 1413 | Y | 26.3 | Very low | 26.4 | Very low | 224 Ų | 224 | 133.6 Ų | 133.6 | 88% | 0.878 | 69% | 0.686 | S | S | * | * | trans | -160.8 | 145.5 | 146.7 | -82.9 | -57.2 | 0 | 0 | 0 | 110.2 | ||||
| 1414 | I | 31.2 | Very low | 26.9 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 71% | 0.713 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -87.8 | -6.1 | -158 | -70.4 | 173.8 | 0 | 0 | 0 | 114.7 | ||
| 1415 | Y | 25.2 | Very low | 27 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 60% | 0.6 | 65% | 0.647 | S | S | * | * | trans | -132.1 | 77.4 | -171.5 | -56.1 | -68 | 0 | 0 | 0 | 114.3 | W1417 L1418 | Y1415-W1417 VanDerWaalsContact C-N 3.26Å; Y1415-W1417 AromaticContact CD1-CE2 3.88Å; Y1415-W1417 AromaticContact CD1-CZ2 3.84Å; Y1415-W1417 HydrophobicContact CD1-CZ2 3.84Å; Y1415-W1417 AromaticContact CD1-NE1 3.58Å; Y1415-W1417 HydrophobicContact CE1-CZ2 4.38Å; Y1415-W1417 PolarHBondContact O-N 3.31Å; Y1415-L1418 PolarHBondContact O-N 3.14Å | ||
| 1416 | P | 26.2 | Very low | 27.1 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 60% | 0.597 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -60.5 | -33.3 | 176.2 | -22.9 | 34 | 0 | 0 | 0 | 113.7 | L1418 Y1419 A1420 | P1416-L1418 VanDerWaalsContact C-N 3.27Å; P1416-L1418 PolarHBondContact O-N 2.92Å; P1416-Y1419 PolarHBondContact O-N 2.93Å; P1416-A1420 PolarHBondContact O-N 3.33Å |
| 1417 | W | 26.1 | Very low | 27.5 | Very low | 157 Ų | 157 | 126 Ų | 126 | 60% | 0.595 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68 | -20.4 | -176.3 | 54.5 | -92.3 | 0 | 0 | 0 | 114.2 | Y1415 Y1419 N1421 | Y1415-W1417 VanDerWaalsContact C-N 3.26Å; Y1415-W1417 AromaticContact CD1-CE2 3.88Å; Y1415-W1417 AromaticContact CD1-CZ2 3.84Å; Y1415-W1417 HydrophobicContact CD1-CZ2 3.84Å; Y1415-W1417 AromaticContact CD1-NE1 3.58Å; Y1415-W1417 HydrophobicContact CE1-CZ2 4.38Å; Y1415-W1417 PolarHBondContact O-N 3.31Å; W1417-Y1419 VanDerWaalsContact C-N 3.35Å; W1417-N1421 PolarHBondContact O-N 3.29Å |
| 1418 | L | 25.3 | Very low | 27.9 | Very low | 113 Ų | 113 | 122.7 Ų | 122.7 | 59% | 0.592 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.6 | -31.5 | 175.6 | -139.3 | 82.1 | 0 | 0 | 0 | 112.1 | Y1415 P1416 | Y1415-L1418 PolarHBondContact O-N 3.14Å; P1416-L1418 VanDerWaalsContact C-N 3.27Å; P1416-L1418 PolarHBondContact O-N 2.92Å |
| 1419 | Y | 24.9 | Very low | 28.1 | Very low | 199 Ų | 199 | 122 Ų | 122 | 78% | 0.78 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -84 | -36.6 | -177.8 | -136.5 | -87 | 0 | 0 | 0 | 112.4 | P1416 W1417 N1421 A1422 | P1416-Y1419 PolarHBondContact O-N 2.93Å; W1417-Y1419 VanDerWaalsContact C-N 3.35Å; Y1419-N1421 VanDerWaalsContact C-N 3.25Å; Y1419-N1421 PolarHBondContact O-N 3.13Å; Y1419-A1422 PolarHBondContact O-N 2.84Å |
| 1420 | A | 26 | Very low | 28.6 | Very low | 51 Ų | 51 | 117.7 Ų | 117.7 | 42% | 0.421 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -59.1 | -37.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | P1416 T1423 L1424 | P1416-A1420 PolarHBondContact O-N 3.33Å; A1420-T1423 PolarHBondContact O-N 2.69Å; A1420-T1423 PolarHBondContact O-OG1 3.04Å; A1420-L1424 PolarHBondContact O-N 2.98Å |
| 1421 | N | 25.1 | Very low | 29 | Very low | 79 Ų | 79 | 116.2 Ų | 116.2 | 42% | 0.422 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -55.7 | -53.2 | 175.2 | -104.2 | -33.4 | 0 | 0 | 0 | 112.1 | W1417 Y1419 T1423 L1424 L1425 | W1417-N1421 PolarHBondContact O-N 3.29Å; Y1419-N1421 VanDerWaalsContact C-N 3.25Å; Y1419-N1421 PolarHBondContact O-N 3.13Å; N1421-T1423 PolarHBondContact O-N 3.43Å; N1421-L1424 PolarHBondContact O-N 3.22Å; N1421-L1425 VanDerWaalsContact O-CG 3.23Å; N1421-L1425 WeakPolarHBondContact O-CG 3.32Å; N1421-L1425 PolarHBondContact O-N 3.04Å; N1421-L1425 VanDerWaalsContact O-N 3.11Å |
| 1422 | A | 26.6 | Very low | 29.4 | Very low | 64 Ų | 64 | 110.4 Ų | 110.4 | 53% | 0.529 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -56.2 | -29 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y1419 | Y1419-A1422 PolarHBondContact O-N 2.84Å |
| 1423 | T | 32.3 | Very low | 29.7 | Very low | 102 Ų | 102 | 109.9 Ų | 109.9 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -79.1 | -36.7 | 172.6 | 29.5 | 0 | 0 | 0 | 0 | 114.1 | A1420 N1421 L1425 | A1420-T1423 PolarHBondContact O-N 2.69Å; A1420-T1423 PolarHBondContact O-OG1 3.04Å; N1421-T1423 PolarHBondContact O-N 3.43Å; T1423-L1425 PolarHBondContact O-N 3.11Å |
| 1424 | L | 35.3 | Very low | 30.2 | Very low | 95 Ų | 95 | 102.3 Ų | 102.3 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.1 | -19.3 | 177 | -74.3 | 164.1 | 0 | 0 | 0 | 113.4 | A1420 N1421 K1426 W1428 | A1420-L1424 PolarHBondContact O-N 2.98Å; N1421-L1424 PolarHBondContact O-N 3.22Å; L1424-K1426 VanDerWaalsContact C-N 3.34Å; L1424-K1426 PolarHBondContact O-N 3.48Å; L1424-W1428 PolarHBondContact O-NE1 3.45Å |
| 1425 | L | 29.3 | Very low | 30.5 | Very low | 34 Ų | 34 | 101.2 Ų | 101.2 | 18% | 0.178 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.7 | -177 | -65 | 174 | 0 | 0 | 0 | 114.9 | N1421 T1423 W1428 F1544 | N1421-L1425 VanDerWaalsContact O-CG 3.23Å; N1421-L1425 WeakPolarHBondContact O-CG 3.32Å; N1421-L1425 PolarHBondContact O-N 3.04Å; N1421-L1425 VanDerWaalsContact O-N 3.11Å; T1423-L1425 PolarHBondContact O-N 3.11Å; L1425-W1428 HydrophobicContact CD2-CD2 4.11Å; L1425-W1428 HydrophobicContact CD2-CE3 4.45Å; L1425-W1428 HydrophobicContact CD2-CH2 3.48Å; L1425-W1428 VanDerWaalsContact CD2-CH2 3.48Å; L1425-W1428 HydrophobicContact CD2-CZ2 3.01Å; L1425-W1428 HydrophobicContact CD2-CZ3 4.18Å; L1425-W1428 HydrophobicContact CG-CZ2 4.45Å; L1425-F1544 HydrophobicContact CB-CD2 4.48Å; L1425-F1544 HydrophobicContact CB-CE2 3.74Å; L1425-F1544 HydrophobicContact CB-CZ 4.32Å; L1425-F1544 HydrophobicContact CD1-CE2 4.08Å; L1425-F1544 HydrophobicContact CD1-CZ 3.78Å; L1425-F1544 HydrophobicContact CG-CE2 4.47Å |
| 1426 | K | 29 | Very low | 31.2 | Very low | 154 Ų | 154 | 96.2 Ų | 96.2 | 67% | 0.67 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -25.5 | -166.6 | -122.5 | 178.5 | -175 | 175.1 | 0 | 115.6 | L1424 | L1424-K1426 VanDerWaalsContact C-N 3.34Å; L1424-K1426 PolarHBondContact O-N 3.48Å |
| 1427 | D | 33.2 | Very low | 31.8 | Very low | 150 Ų | 150 | 93.8 Ų | 93.8 | 80% | 0.802 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | 30.4 | -169.7 | -59.6 | -53.1 | 0 | 0 | 0 | 112.4 | ||
| 1428 | W | 33.2 | Very low | 32.4 | Very low | 85 Ų | 85 | 92.5 Ų | 92.5 | 32% | 0.322 | 47% | 0.474 | S | S | . | . | trans | -71.9 | 134.9 | -173.6 | -84.9 | 22.7 | 0 | 0 | 0 | 114.4 | F1396 L1424 L1425 I1542 | F1396-W1428 AromaticContact CD1-CH2 3.93Å; F1396-W1428 HydrophobicContact CD1-CH2 3.93Å; F1396-W1428 AromaticContact CD1-CZ2 3.4Å; F1396-W1428 HydrophobicContact CD1-CZ2 3.4Å; F1396-W1428 AromaticContact CE1-CH2 3.38Å; F1396-W1428 HydrophobicContact CE1-CH2 3.38Å; F1396-W1428 AromaticContact CE1-CZ2 3.38Å; F1396-W1428 HydrophobicContact CE1-CZ2 3.38Å; F1396-W1428 HydrophobicContact CE1-CZ3 4.38Å; F1396-W1428 HydrophobicContact CZ-CH2 4.32Å; L1424-W1428 PolarHBondContact O-NE1 3.45Å; L1425-W1428 HydrophobicContact CD2-CD2 4.11Å; L1425-W1428 HydrophobicContact CD2-CE3 4.45Å; L1425-W1428 HydrophobicContact CD2-CH2 3.48Å; L1425-W1428 VanDerWaalsContact CD2-CH2 3.48Å; L1425-W1428 HydrophobicContact CD2-CZ2 3.01Å; L1425-W1428 HydrophobicContact CD2-CZ3 4.18Å; L1425-W1428 HydrophobicContact CG-CZ2 4.45Å; W1428-I1542 HydrophobicContact CB-CB 4.13Å; W1428-I1542 HydrophobicContact CB-CD1 4.35Å; W1428-I1542 HydrophobicContact CE3-CD1 3.81Å; W1428-I1542 HydrophobicContact CE3-CG2 4.29Å | ||
| 1429 | R | 28.8 | Very low | 33.2 | Very low | 183 Ų | 183 | 92.6 Ų | 92.6 | 69% | 0.691 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125 | 171.1 | -69.1 | -179.4 | 174.2 | -178.4 | -2 | 110.7 | I1431 | R1429-I1431 PolarHBondContact O-N 2.89Å |
| 1430 | L | 33.9 | Very low | 34 | Very low | 60 Ų | 60 | 86.6 Ų | 86.6 | 31% | 0.314 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 108 | 169.7 | -177.8 | 68.2 | 0 | 0 | 0 | 109.3 | L1394 I1432 F1540 | L1394-L1430 HydrophobicContact CD2-CD1 4.05Å; L1430-I1432 HydrophobicContact CD2-CD1 4.1Å; L1430-I1432 HydrophobicContact CD2-CG1 4.16Å; L1430-I1432 HydrophobicContact CG-CG1 4.09Å; L1430-I1432 PolarHBondContact O-N 3.33Å; L1430-F1540 HydrophobicContact CB-CB 4.2Å; L1430-F1540 HydrophobicContact CD2-CB 4.4Å; L1430-F1540 HydrophobicContact CD2-CD2 3.97Å; L1430-F1540 HydrophobicContact CD2-CG 4.38Å |
| 1431 | I | 35 | Very low | 34.7 | Very low | 75 Ų | 75 | 86.6 Ų | 86.6 | 39% | 0.385 | 45% | 0.445 | S | S | . | . | trans | -80.9 | 107.9 | 177.5 | -61.9 | 160 | 0 | 0 | 0 | 108.7 | N973 R1429 | N973-I1431 VanDerWaalsContact OD1-CD1 3.24Å; N973-I1431 WeakPolarHBondContact OD1-CD1 3.02Å; N973-I1431 WeakPolarHBondContact OD1-CG1 3.37Å; N973-I1431 VanDerWaalsContact OD1-CG2 3.25Å; N973-I1431 WeakPolarHBondContact OD1-CG2 3.38Å; R1429-I1431 PolarHBondContact O-N 2.89Å | ||
| 1432 | I | 35.8 | Very low | 35.4 | Very low | 26 Ų | 26 | 88.7 Ų | 88.7 | 13% | 0.133 | 45% | 0.452 | C | S | . | . | trans | -97.4 | 130.5 | 176.2 | -68.3 | -176.5 | 0 | 0 | 0 | 108.3 | L1430 S1434 I1436 Q1437 F1440 F1540 | L1430-I1432 HydrophobicContact CD2-CD1 4.1Å; L1430-I1432 HydrophobicContact CD2-CG1 4.16Å; L1430-I1432 HydrophobicContact CG-CG1 4.09Å; L1430-I1432 PolarHBondContact O-N 3.33Å; I1432-S1434 PolarHBondContact O-N 2.83Å; I1432-I1436 HydrophobicContact CG2-CB 3.49Å; I1432-I1436 VanDerWaalsContact CG2-CB 3.49Å; I1432-I1436 HydrophobicContact CG2-CG2 3.47Å; I1432-I1436 VanDerWaalsContact CG2-CG2 3.47Å; I1432-Q1437 HydrophobicContact CG2-CB 4.44Å; I1432-F1440 HydrophobicContact CD1-CD2 4.18Å; I1432-F1440 HydrophobicContact CD1-CE2 3.97Å; I1432-F1440 HydrophobicContact CG2-CD2 4.47Å; I1432-F1540 HydrophobicContact CD1-CD2 3.55Å; I1432-F1540 HydrophobicContact CD1-CE2 3.45Å; I1432-F1540 VanDerWaalsContact CD1-CE2 3.45Å | ||
| 1433 | P | 35.6 | Very low | 35.9 | Very low | 72 Ų | 72 | 89.1 Ų | 89.1 | 47% | 0.468 | 45% | 0.448 | S | S | . | . | trans | -49.8 | 136.8 | 177 | -29.6 | 35.5 | 0 | 0 | 0 | 112.2 | N1435 I1436 Q1437 | P1433-N1435 WeakPolarHBondContact CB-OD1 3.37Å; P1433-N1435 PolarHBondContact O-N 3.05Å; P1433-I1436 HydrophobicContact CG-CD1 4.39Å; P1433-I1436 CarbonylContact O-C 3.56Å; P1433-I1436 WeakPolarHBondContact O-CA 3.41Å; P1433-I1436 PolarHBondContact O-N 2.67Å; P1433-Q1437 PolarHBondContact O-N 3.02Å | ||
| 1434 | S | 36.8 | Very low | 36.1 | Very low | 65 Ų | 65 | 89.2 Ų | 89.2 | 46% | 0.455 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.4 | -22.2 | -168 | 72.4 | 0 | 0 | 0 | 0 | 114.6 | I1432 Q1438 | I1432-S1434 PolarHBondContact O-N 2.83Å; S1434-Q1438 VanDerWaalsContact O-CB 3.23Å; S1434-Q1438 WeakPolarHBondContact O-CB 3.39Å; S1434-Q1438 WeakPolarHBondContact O-CG 3.33Å; S1434-Q1438 PolarHBondContact O-N 3.09Å |
| 1435 | N | 36.1 | Very low | 36.2 | Very low | 116 Ų | 116 | 90 Ų | 90 | 62% | 0.62 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68.9 | -35.1 | 170.1 | 51.3 | -49.1 | 0 | 0 | 0 | 113.3 | P1433 L1439 | P1433-N1435 WeakPolarHBondContact CB-OD1 3.37Å; P1433-N1435 PolarHBondContact O-N 3.05Å; N1435-L1439 PolarHBondContact O-N 3.42Å |
| 1436 | I | 39.9 | Very low | 36.4 | Very low | 48 Ų | 48 | 94.4 Ų | 94.4 | 25% | 0.246 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -82.3 | -34.3 | 172.6 | -56.4 | 175.5 | 0 | 0 | 0 | 110.2 | I1432 P1433 Q1438 L1439 F1440 | I1432-I1436 HydrophobicContact CG2-CB 3.49Å; I1432-I1436 VanDerWaalsContact CG2-CB 3.49Å; I1432-I1436 HydrophobicContact CG2-CG2 3.47Å; I1432-I1436 VanDerWaalsContact CG2-CG2 3.47Å; P1433-I1436 HydrophobicContact CG-CD1 4.39Å; P1433-I1436 CarbonylContact O-C 3.56Å; P1433-I1436 WeakPolarHBondContact O-CA 3.41Å; P1433-I1436 PolarHBondContact O-N 2.67Å; I1436-Q1438 VanDerWaalsContact C-N 3.34Å; I1436-L1439 CarbonylContact O-C 3.5Å; I1436-L1439 WeakPolarHBondContact O-CA 3.49Å; I1436-L1439 WeakPolarHBondContact O-CB 3.14Å; I1436-L1439 PolarHBondContact O-N 3.5Å; I1436-L1439 VanDerWaalsContact O-N 3.11Å; I1436-F1440 HydrophobicContact CG2-CD2 3.82Å; I1436-F1440 HydrophobicContact CG2-CE2 3.72Å; I1436-F1440 WeakPolarHBondContact O-CD2 3.24Å; I1436-F1440 PolarHBondContact O-N 2.96Å |
| 1437 | Q | 38.6 | Very low | 36.5 | Very low | 42 Ų | 42 | 92.6 Ų | 92.6 | 20% | 0.196 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 171.4 | -163.4 | -167 | 15.2 | 0 | 0 | 110.8 | I1432 P1433 L1439 F1440 I1441 Y1537 | I1432-Q1437 HydrophobicContact CG2-CB 4.44Å; P1433-Q1437 PolarHBondContact O-N 3.02Å; Q1437-L1439 VanDerWaalsContact C-N 3.33Å; Q1437-L1439 PolarHBondContact O-N 3.03Å; Q1437-F1440 PolarHBondContact O-N 3.34Å; Q1437-I1441 HydrophobicContact CG-CD1 4Å; Q1437-I1441 WeakPolarHBondContact O-CB 3.2Å; Q1437-I1441 WeakPolarHBondContact O-CG1 3.16Å; Q1437-I1441 PolarHBondContact O-N 2.83Å; Q1437-Y1537 PolarHBondContact NE2-O 2.86Å |
| 1438 | Q | 40.2 | Very low | 36.4 | Very low | 130 Ų | 130 | 88.1 Ų | 88.1 | 61% | 0.607 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -58.4 | -43.3 | 168.8 | -76.7 | -92.1 | -62 | 0 | 0 | 111.2 | S1434 I1436 I1441 H1442 | S1434-Q1438 VanDerWaalsContact O-CB 3.23Å; S1434-Q1438 WeakPolarHBondContact O-CB 3.39Å; S1434-Q1438 WeakPolarHBondContact O-CG 3.33Å; S1434-Q1438 PolarHBondContact O-N 3.09Å; I1436-Q1438 VanDerWaalsContact C-N 3.34Å; Q1438-I1441 PolarHBondContact O-N 2.98Å; Q1438-H1442 VanDerWaalsContact O-CB 3.22Å; Q1438-H1442 WeakPolarHBondContact O-CB 3.25Å; Q1438-H1442 PolarHBondContact O-N 3.08Å |
| 1439 | L | 40.6 | Very low | 36 | Very low | 114 Ų | 114 | 90 Ų | 90 | 60% | 0.597 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -60.6 | -46.4 | 175.3 | -168.8 | 75.5 | 0 | 0 | 0 | 111.7 | N1435 I1436 Q1437 H1442 V1443 | N1435-L1439 PolarHBondContact O-N 3.42Å; I1436-L1439 CarbonylContact O-C 3.5Å; I1436-L1439 WeakPolarHBondContact O-CA 3.49Å; I1436-L1439 WeakPolarHBondContact O-CB 3.14Å; I1436-L1439 PolarHBondContact O-N 3.5Å; I1436-L1439 VanDerWaalsContact O-N 3.11Å; Q1437-L1439 VanDerWaalsContact C-N 3.33Å; Q1437-L1439 PolarHBondContact O-N 3.03Å; L1439-H1442 PolarHBondContact O-N 2.97Å; L1439-V1443 WeakPolarHBondContact O-CB 3.44Å; L1439-V1443 VanDerWaalsContact O-CG2 3.32Å; L1439-V1443 WeakPolarHBondContact O-CG2 3.45Å; L1439-V1443 PolarHBondContact O-N 3Å |
| 1440 | F | 42.1 | Very low | 35.9 | Very low | 74 Ų | 74 | 89 Ų | 89 | 33% | 0.325 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.8 | -42.8 | 176 | -84 | -66.3 | 0 | 0 | 0 | 112.5 | I1432 I1436 Q1437 H1442 V1443 W1444 F1540 | I1432-F1440 HydrophobicContact CD1-CD2 4.18Å; I1432-F1440 HydrophobicContact CD1-CE2 3.97Å; I1432-F1440 HydrophobicContact CG2-CD2 4.47Å; I1436-F1440 HydrophobicContact CG2-CD2 3.82Å; I1436-F1440 HydrophobicContact CG2-CE2 3.72Å; I1436-F1440 WeakPolarHBondContact O-CD2 3.24Å; I1436-F1440 PolarHBondContact O-N 2.96Å; Q1437-F1440 PolarHBondContact O-N 3.34Å; F1440-H1442 VanDerWaalsContact C-N 3.26Å; F1440-H1442 PolarHBondContact O-N 3.01Å; F1440-V1443 PolarHBondContact O-N 2.83Å; F1440-W1444 WeakPolarHBondContact O-CB 3.45Å; F1440-W1444 PolarHBondContact O-N 3.02Å; F1440-F1540 HydrophobicContact CE1-CZ 4.48Å; F1440-F1540 HydrophobicContact CE2-CE2 4.44Å; F1440-F1540 HydrophobicContact CZ-CE2 4.43Å; F1440-F1540 HydrophobicContact CZ-CZ 4.46Å |
| 1441 | I | 41.7 | Very low | 35.4 | Very low | 51 Ų | 51 | 94.2 Ų | 94.2 | 26% | 0.262 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.3 | -36.3 | 173.8 | -70.2 | 164.8 | 0 | 0 | 0 | 110.3 | Q1437 Q1438 W1444 H1445 | Q1437-I1441 HydrophobicContact CG-CD1 4Å; Q1437-I1441 WeakPolarHBondContact O-CB 3.2Å; Q1437-I1441 WeakPolarHBondContact O-CG1 3.16Å; Q1437-I1441 PolarHBondContact O-N 2.83Å; Q1438-I1441 PolarHBondContact O-N 2.98Å; I1441-W1444 PolarHBondContact O-N 3.2Å; I1441-H1445 WeakPolarHBondContact O-CB 3.37Å; I1441-H1445 PolarHBondContact O-N 3.14Å |
| 1442 | H | 38.9 | Very low | 34.9 | Very low | 122 Ų | 122 | 98 Ų | 98 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -75 | -34.6 | 179.5 | -147.1 | -37 | 0 | 0 | 0 | 112.6 | Q1438 L1439 F1440 Q1446 | Q1438-H1442 VanDerWaalsContact O-CB 3.22Å; Q1438-H1442 WeakPolarHBondContact O-CB 3.25Å; Q1438-H1442 PolarHBondContact O-N 3.08Å; L1439-H1442 PolarHBondContact O-N 2.97Å; F1440-H1442 VanDerWaalsContact C-N 3.26Å; F1440-H1442 PolarHBondContact O-N 3.01Å; H1442-Q1446 WeakPolarHBondContact O-CB 3.42Å; H1442-Q1446 WeakPolarHBondContact O-CG 3.35Å; H1442-Q1446 PolarHBondContact O-N 2.99Å |
| 1443 | V | 37.6 | Very low | 34.3 | Very low | 74 Ų | 74 | 103.5 Ų | 103.5 | 45% | 0.448 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.5 | -44.1 | 169.4 | 169.1 | 0 | 0 | 0 | 0 | 110.3 | L1439 F1440 Q1446 I1447 | L1439-V1443 WeakPolarHBondContact O-CB 3.44Å; L1439-V1443 VanDerWaalsContact O-CG2 3.32Å; L1439-V1443 WeakPolarHBondContact O-CG2 3.45Å; L1439-V1443 PolarHBondContact O-N 3Å; F1440-V1443 PolarHBondContact O-N 2.83Å; V1443-Q1446 PolarHBondContact O-N 3.23Å; V1443-Q1446 VanDerWaalsContact O-N 3.16Å; V1443-I1447 HydrophobicContact CG1-CD1 3.84Å; V1443-I1447 WeakPolarHBondContact O-CG1 3.24Å; V1443-I1447 PolarHBondContact O-N 3.16Å |
| 1444 | W | 37.4 | Very low | 33.8 | Very low | 103 Ų | 103 | 106.8 Ų | 106.8 | 39% | 0.39 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 176.6 | -175 | -93.5 | 0 | 0 | 0 | 111.7 | F1440 I1441 Q1446 I1447 G1448 L1534 E1536 | F1440-W1444 WeakPolarHBondContact O-CB 3.45Å; F1440-W1444 PolarHBondContact O-N 3.02Å; I1441-W1444 PolarHBondContact O-N 3.2Å; W1444-Q1446 PolarHBondContact O-N 3.31Å; W1444-I1447 PolarHBondContact O-N 2.84Å; W1444-G1448 PolarHBondContact O-N 2.9Å; W1444-L1534 HydrophobicContact CE3-CD2 3.85Å; W1444-L1534 HydrophobicContact CE3-CG 4.36Å; W1444-L1534 HydrophobicContact CZ3-CD2 3.99Å; W1444-L1534 HydrophobicContact CZ3-CG 4.18Å; W1444-E1536 HydrophobicContact CZ2-CB 4.24Å |
| 1445 | H | 36.6 | Very low | 33.1 | Very low | 111 Ų | 111 | 111.1 Ų | 111.1 | 51% | 0.514 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -66.6 | -32.9 | 172.6 | -98.8 | -73.6 | 0 | 0 | 0 | 113 | I1441 I1447 I1449 | I1441-H1445 WeakPolarHBondContact O-CB 3.37Å; I1441-H1445 PolarHBondContact O-N 3.14Å; H1445-I1447 VanDerWaalsContact C-N 3.31Å; H1445-I1449 WeakPolarHBondContact O-CB 3.46Å; H1445-I1449 WeakPolarHBondContact O-CD1 3.44Å; H1445-I1449 WeakPolarHBondContact O-CG1 3.47Å; H1445-I1449 PolarHBondContact O-N 2.91Å; H1445-I1449 VanDerWaalsContact O-N 3.1Å |
| 1446 | Q | 33.4 | Very low | 32.4 | Very low | 128 Ų | 128 | 115 Ų | 115 | 60% | 0.598 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.3 | -27.2 | 173 | -80.6 | -157.4 | 8.6 | 0 | 0 | 113.2 | H1442 V1443 W1444 | H1442-Q1446 WeakPolarHBondContact O-CB 3.42Å; H1442-Q1446 WeakPolarHBondContact O-CG 3.35Å; H1442-Q1446 PolarHBondContact O-N 2.99Å; V1443-Q1446 PolarHBondContact O-N 3.23Å; V1443-Q1446 VanDerWaalsContact O-N 3.16Å; W1444-Q1446 PolarHBondContact O-N 3.31Å |
| 1447 | I | 31.4 | Very low | 31.5 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 60% | 0.595 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -79.3 | -47.6 | 172.9 | -66.4 | 164.8 | 0 | 0 | 0 | 110.4 | V1443 W1444 H1445 I1449 H1450 | V1443-I1447 HydrophobicContact CG1-CD1 3.84Å; V1443-I1447 WeakPolarHBondContact O-CG1 3.24Å; V1443-I1447 PolarHBondContact O-N 3.16Å; W1444-I1447 PolarHBondContact O-N 2.84Å; H1445-I1447 VanDerWaalsContact C-N 3.31Å; I1447-I1449 VanDerWaalsContact C-N 3.34Å; I1447-I1449 PolarHBondContact O-N 2.77Å; I1447-H1450 VanDerWaalsContact O-CB 3.32Å; I1447-H1450 WeakPolarHBondContact O-CB 3.17Å; I1447-H1450 PolarHBondContact O-N 2.94Å |
| 1448 | G | 30.4 | Very low | 30.7 | Very low | 56 Ų | 56 | 123 Ų | 123 | 58% | 0.577 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.8 | -19.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | W1444 H1450 | W1444-G1448 PolarHBondContact O-N 2.9Å; G1448-H1450 PolarHBondContact O-N 2.83Å |
| 1449 | I | 25.9 | Very low | 29.8 | Very low | 125 Ų | 125 | 120.4 Ų | 120.4 | 64% | 0.641 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 0.2 | 171.6 | -66.4 | 168.1 | 0 | 0 | 0 | 111.4 | H1445 I1447 | H1445-I1449 WeakPolarHBondContact O-CB 3.46Å; H1445-I1449 WeakPolarHBondContact O-CD1 3.44Å; H1445-I1449 WeakPolarHBondContact O-CG1 3.47Å; H1445-I1449 PolarHBondContact O-N 2.91Å; H1445-I1449 VanDerWaalsContact O-N 3.1Å; I1447-I1449 VanDerWaalsContact C-N 3.34Å; I1447-I1449 PolarHBondContact O-N 2.77Å |
| 1450 | H | 25.5 | Very low | 28.9 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 75% | 0.745 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.8 | 5.7 | -175.3 | -134.2 | -59.2 | 0 | 0 | 0 | 116 | I1447 G1448 | I1447-H1450 VanDerWaalsContact O-CB 3.32Å; I1447-H1450 WeakPolarHBondContact O-CB 3.17Å; I1447-H1450 PolarHBondContact O-N 2.94Å; G1448-H1450 PolarHBondContact O-N 2.83Å |
| 1451 | E | 24.2 | Very low | 27.8 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 79% | 0.79 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -117.5 | 59 | 170.2 | -71.7 | -163.9 | 158.2 | 0 | 0 | 112.6 | ||
| 1452 | D | 24.7 | Very low | 26.8 | Very low | 156 Ų | 156 | 132.6 Ų | 132.6 | 83% | 0.834 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -149.7 | 21.7 | 164.2 | -129.7 | -7.1 | 0 | 0 | 0 | 113.7 | ||
| 1453 | I | 23.2 | Very low | 26 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 72% | 0.718 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -140.4 | 78 | -178.6 | -53.5 | -179.4 | 0 | 0 | 0 | 110.6 | ||
| 1454 | N | 24.7 | Very low | 25.2 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | 153.5 | 155.9 | 119.6 | -83.9 | -34.5 | 0 | 0 | 0 | 115.8 | |||||
| 1455 | L | 22.9 | Very low | 24.5 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 82% | 0.817 | 73% | 0.725 | S | S | * | * | trans | 68.9 | 71.2 | 160.9 | -91.9 | 77.8 | 0 | 0 | 0 | 117.5 | ||||
| 1456 | F | 21.3 | Very low | 23.7 | Very low | 199 Ų | 199 | 137.3 Ų | 137.3 | 87% | 0.873 | 73% | 0.731 | S | S | * | * | S | Bend | -117.6 | 102.1 | 129.7 | -102.7 | -81.4 | 0 | 0 | 0 | 111.3 | |||
| 1457 | N | 20.9 | Very low | 23.2 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 65% | 0.647 | 75% | 0.745 | S | S | * | * | trans | 55.2 | 71.9 | 148.6 | -69.1 | -22.6 | 0 | 0 | 0 | 119.1 | S1459 | N1457-S1459 VanDerWaalsContact CB-OG 3.25Å; N1457-S1459 WeakPolarHBondContact CB-OG 3.36Å; N1457-S1459 PolarHBondContact O-N 3.07Å; N1457-S1459 PolarHBondContact OD1-OG 3.08Å | ||
| 1458 | S | 20.6 | Very low | 22.7 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 95% | 0.951 | 75% | 0.749 | S | S | * | * | trans | -69.1 | 65.4 | 141.9 | 61.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1459 | S | 21.7 | Very low | 22.4 | Very low | 76 Ų | 76 | 141.1 Ų | 141.1 | 53% | 0.531 | 76% | 0.756 | S | S | . | * | trans | -140.9 | 40.9 | -174.2 | 57.6 | 0 | 0 | 0 | 0 | 114.6 | N1457 | N1457-S1459 VanDerWaalsContact CB-OG 3.25Å; N1457-S1459 WeakPolarHBondContact CB-OG 3.36Å; N1457-S1459 PolarHBondContact O-N 3.07Å; N1457-S1459 PolarHBondContact OD1-OG 3.08Å | ||
| 1460 | L | 21.3 | Very low | 22.3 | Very low | 175 Ų | 175 | 141.7 Ų | 141.7 | 92% | 0.916 | 76% | 0.76 | S | S | * | * | trans | -141.6 | 102.9 | 153.5 | -104 | 159.4 | 0 | 0 | 0 | 109.6 | ||||
| 1461 | R | 18.6 | Very low | 22.1 | Very low | 228 Ų | 228 | 139.9 Ų | 139.9 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | -65.7 | 155.2 | 168 | -68.8 | 178.5 | 168.3 | -176.9 | -3 | 109.8 | ||||
| 1462 | S | 21.7 | Very low | 22 | Very low | 91 Ų | 91 | 137.4 Ų | 137.4 | 64% | 0.636 | 75% | 0.748 | S | S | * | * | trans | 46.2 | 118.7 | 141.2 | 62.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1463 | N | 21.6 | Very low | 22 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | -178 | 117.9 | 113.6 | -87.5 | -20.1 | 0 | 0 | 0 | 109.2 | |||||
| 1464 | I | 21.7 | Very low | 22 | Very low | 132 Ų | 132 | 135 Ų | 135 | 68% | 0.677 | 74% | 0.737 | S | S | * | * | 101.8 | 131.8 | 94.5 | -78.1 | 171.7 | 0 | 0 | 0 | 109.8 | |||||
| 1465 | H | 21.3 | Very low | 22 | Very low | 182 Ų | 182 | 134.1 Ų | 134.1 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | trans | 34.6 | 130.8 | 166.9 | -61.8 | -53.3 | 0 | 0 | 0 | 119.1 | ||||
| 1466 | G | 21.7 | Very low | 22.2 | Very low | 62 Ų | 62 | 133 Ų | 133 | 64% | 0.639 | 73% | 0.727 | S | S | * | * | cis | 91.3 | 144.7 | 43.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1467 | V | 21.8 | Very low | 22.4 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 87% | 0.873 | 72% | 0.717 | S | S | * | * | trans | 81.2 | 102.1 | -175.4 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1468 | S | 21.7 | Very low | 22.8 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | 74.5 | 103.3 | 93.1 | -151.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1469 | L | 22.6 | Very low | 23.1 | Very low | 138 Ų | 138 | 130.8 Ų | 130.8 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | 102.5 | 141 | 88.3 | -177.7 | 80.1 | 0 | 0 | 0 | 109.2 | |||||
| 1470 | D | 24.6 | Very low | 23.3 | Very low | 137 Ų | 137 | 134 Ų | 134 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | trans | 65.4 | 156.5 | 169.5 | -68.7 | -23.1 | 0 | 0 | 0 | 117.4 | ||||
| 1471 | N | 21.8 | Very low | 23.7 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 66% | 0.658 | 72% | 0.721 | S | S | * | * | cis | -172 | 141.3 | -25 | 176.9 | 17.6 | 0 | 0 | 0 | 107 | ||||
| 1472 | N | 22.5 | Very low | 24.1 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | trans | 58.1 | 146.2 | 155 | -100.8 | -28.4 | 0 | 0 | 0 | 122.6 | ||||
| 1473 | N | 23.3 | Very low | 24.2 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | trans | 42 | 125.3 | 136.2 | -62.4 | -22.1 | 0 | 0 | 0 | 119.2 | ||||
| 1474 | N | 23.3 | Very low | 24.4 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | -175.9 | 155.1 | 63.6 | -110.2 | -38.6 | 0 | 0 | 0 | 112.5 | |||||
| 1475 | N | 24.3 | Very low | 24.5 | Very low | 123 Ų | 123 | 132 Ų | 132 | 66% | 0.658 | 74% | 0.735 | S | S | * | * | trans | 18 | 125.8 | 137.1 | -51.4 | -22.1 | 0 | 0 | 0 | 117.7 | ||||
| 1476 | N | 26.8 | Very low | 24.5 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | -175 | 146.8 | 73 | -92.8 | -57.2 | 0 | 0 | 0 | 113.6 | |||||
| 1477 | N | 25.9 | Very low | 24.7 | Very low | 126 Ų | 126 | 135.1 Ų | 135.1 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | trans | 35.6 | 112.9 | 136.9 | -51.5 | -19.6 | 0 | 0 | 0 | 120.2 | ||||
| 1478 | N | 29.8 | Very low | 24.7 | Very low | 144 Ų | 144 | 133.5 Ų | 133.5 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | -179.9 | 130.6 | 94.2 | -93.4 | -32.9 | 0 | 0 | 0 | 114.6 | |||||
| 1479 | N | 26.8 | Very low | 24.7 | Very low | 139 Ų | 139 | 134.5 Ų | 134.5 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | 38.4 | 112.2 | 145 | -62.4 | -14.1 | 0 | 0 | 0 | 122.2 | ||||
| 1480 | N | 27 | Very low | 24.7 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | 26.1 | 113.2 | 125 | -62.8 | -2.3 | 0 | 0 | 0 | 119 | |||||
| 1481 | N | 28.1 | Very low | 24.6 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 85% | 0.845 | 74% | 0.744 | S | S | * | * | -165 | 132.9 | 97.5 | -97.6 | -17.5 | 0 | 0 | 0 | 111.4 | |||||
| 1482 | N | 27.2 | Very low | 24.7 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | -74.1 | 141.3 | 166.8 | -66.9 | -11.2 | 0 | 0 | 0 | 109.7 | ||||
| 1483 | N | 24.4 | Very low | 24.8 | Very low | 162 Ų | 162 | 132.2 Ų | 132.2 | 87% | 0.866 | 74% | 0.736 | S | S | * | * | trans | -165.9 | 87.8 | 136.7 | -100.5 | -14.3 | 0 | 0 | 0 | 108.9 | S1485 | N1483-S1485 PolarHBondContact O-N 3.18Å; N1483-S1485 VanDerWaalsContact O-N 3.1Å | ||
| 1484 | D | 26 | Very low | 24.9 | Very low | 147 Ų | 147 | 129.3 Ų | 129.3 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | trans | -68.7 | 99.4 | 167.2 | -65.1 | -60.5 | 0 | 0 | 0 | 109.8 | I1486 | D1484-I1486 PolarHBondContact O-N 3.11Š| ||
| 1485 | S | 22.6 | Very low | 25 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | trans | -86.2 | 89.1 | 159 | 62.6 | 0 | 0 | 0 | 0 | 108.6 | N1483 N1487 | N1483-S1485 PolarHBondContact O-N 3.18Å; N1483-S1485 VanDerWaalsContact O-N 3.1Å; S1485-N1487 PolarHBondContact O-N 3.48Å | ||
| 1486 | I | 23.1 | Very low | 25 | Very low | 153 Ų | 153 | 130.5 Ų | 130.5 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 121.6 | 177.1 | -66.4 | 170.2 | 0 | 0 | 0 | 109.5 | D1484 S1488 | D1484-I1486 PolarHBondContact O-N 3.11Å; I1486-S1488 PolarHBondContact O-N 2.83Å |
| 1487 | N | 24.2 | Very low | 25 | Very low | 156 Ų | 156 | 129.1 Ų | 129.1 | 83% | 0.834 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 120.2 | 170.8 | -78.4 | -33.8 | 0 | 0 | 0 | 109.4 | S1485 | S1485-N1487 PolarHBondContact O-N 3.48Š|
| 1488 | S | 21.6 | Very low | 25 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 140.4 | 175.7 | 54.3 | 0 | 0 | 0 | 0 | 111.6 | I1486 | I1486-S1488 PolarHBondContact O-N 2.83Š|
| 1489 | P | 22.9 | Very low | 24.9 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 160.3 | 178.1 | 28.4 | -35.1 | 0 | 0 | 0 | 112.8 | R1491 | P1489-R1491 PolarHBondContact O-N 2.8Š|
| 1490 | S | 23 | Very low | 24.9 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | trans | -63.5 | 114.9 | -176.5 | 30.2 | 0 | 0 | 0 | 0 | 113.3 | C1492 | S1490-C1492 PolarHBondContact O-N 2.76Š| ||
| 1491 | R | 21.8 | Very low | 24.9 | Very low | 208 Ų | 208 | 126.3 Ų | 126.3 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | trans | -62.5 | 113.1 | 172.3 | -81.3 | 178.9 | 156 | 134 | -0.3 | 111.9 | P1489 E1533 | P1489-R1491 PolarHBondContact O-N 2.8Å; R1491-E1533 IonicContact NE-OE1 3.13Å; R1491-E1533 PolarHBondContact NE-OE1 3.17Å; R1491-E1533 VanDerWaalsContact NE-OE1 3.13Å | ||
| 1492 | C | 24.5 | Very low | 24.7 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 66% | 0.655 | 67% | 0.672 | S | S | * | * | trans | -90 | 109.1 | 162.5 | -168.7 | 0 | 0 | 0 | 0 | 109.7 | S1490 | S1490-C1492 PolarHBondContact O-N 2.76Š| ||
| 1493 | A | 23.3 | Very low | 24.6 | Very low | 56 Ų | 56 | 119.6 Ų | 119.6 | 46% | 0.463 | 65% | 0.652 | S | S | . | * | trans | -95.3 | 112.9 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | R1495 | A1493-R1495 PolarHBondContact O-N 2.89Š| ||
| 1494 | I | 25.4 | Very low | 24.7 | Very low | 60 Ų | 60 | 114.7 Ų | 114.7 | 31% | 0.308 | 63% | 0.63 | S | S | . | * | trans | -80.7 | 106.3 | 175.3 | -57.8 | 175 | 0 | 0 | 0 | 109.3 | ||||
| 1495 | R | 25.5 | Very low | 24.7 | Very low | 203 Ų | 203 | 111.6 Ų | 111.6 | 77% | 0.766 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.8 | 105 | 175.5 | -73.3 | -177.9 | 175.2 | 152.8 | 0.8 | 111.2 | A1493 | A1493-R1495 PolarHBondContact O-N 2.89Å |
| 1496 | L | 25 | Very low | 24.8 | Very low | 69 Ų | 69 | 114.4 Ų | 114.4 | 36% | 0.361 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80 | 116.6 | 171.1 | -71.3 | 163.6 | 0 | 0 | 0 | 109.8 | L1503 L1505 I1532 | L1496-L1503 HydrophobicContact CB-CD1 4.41Å; L1496-L1503 HydrophobicContact CD2-CD1 4.11Å; L1496-L1503 HydrophobicContact CD2-CD2 4.3Å; L1496-L1503 HydrophobicContact CD2-CG 4.26Å; L1496-L1505 HydrophobicContact CD2-CD1 4.18Å; L1496-L1505 HydrophobicContact CD2-CG 4.37Å; L1496-I1532 HydrophobicContact CD1-CD1 3.86Å |
| 1497 | L | 26.6 | Very low | 25 | Very low | 103 Ų | 103 | 113.7 Ų | 113.7 | 54% | 0.539 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.5 | 112.7 | 176.6 | -151 | 97.3 | 0 | 0 | 0 | 110.1 | K1499 | L1497-K1499 HydrophobicContact CD2-CD 4.33Å; L1497-K1499 HydrophobicContact CD2-CG 4.47Å; L1497-K1499 PolarHBondContact O-N 3.45Å |
| 1498 | L | 26.8 | Very low | 25 | Very low | 134 Ų | 134 | 109 Ų | 109 | 70% | 0.702 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.2 | 113.6 | 174.3 | -161.8 | 79.7 | 0 | 0 | 0 | 109.2 | L1503 | L1498-L1503 HydrophobicContact CD1-CD1 4.04Å |
| 1499 | K | 27.9 | Very low | 25.3 | Very low | 110 Ų | 110 | 108.6 Ų | 108.6 | 48% | 0.478 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.8 | 112.6 | -179.9 | -129.8 | -175.1 | -177.8 | -171.9 | 0 | 110.3 | L1497 G1501 N1502 | L1497-K1499 HydrophobicContact CD2-CD 4.33Å; L1497-K1499 HydrophobicContact CD2-CG 4.47Å; L1497-K1499 PolarHBondContact O-N 3.45Å; K1499-G1501 VanDerWaalsContact C-N 3.29Å; K1499-G1501 PolarHBondContact O-N 3.32Å; K1499-N1502 PolarHBondContact N-O 3.2Å; K1499-N1502 PolarHBondContact O-N 3.42Å |
| 1500 | Q | 27.1 | Very low | 25.4 | Very low | 198 Ų | 198 | 111.4 Ų | 111.4 | 93% | 0.925 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.7 | 42.2 | 173.5 | -62.7 | 173.9 | -33.3 | 0 | 0 | 114 | N1502 | Q1500-N1502 PolarHBondContact O-N 2.89Š|
| 1501 | G | 26 | Very low | 25.6 | Very low | 53 Ų | 53 | 111.6 Ų | 111.6 | 55% | 0.546 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 80.5 | -7.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | K1499 | K1499-G1501 VanDerWaalsContact C-N 3.29Å; K1499-G1501 PolarHBondContact O-N 3.32Å |
| 1502 | N | 23.8 | Very low | 25.8 | Very low | 96 Ų | 96 | 109.9 Ų | 109.9 | 51% | 0.513 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95 | 131.6 | 169.2 | -79.9 | -37.4 | 0 | 0 | 0 | 110.7 | K1499 Q1500 | K1499-N1502 PolarHBondContact N-O 3.2Å; K1499-N1502 PolarHBondContact O-N 3.42Å; Q1500-N1502 PolarHBondContact O-N 2.89Å |
| 1503 | L | 25.7 | Very low | 25.8 | Very low | 62 Ų | 62 | 114.3 Ų | 114.3 | 33% | 0.325 | 62% | 0.617 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.6 | 102 | 170.7 | -172.7 | 71 | 0 | 0 | 0 | 108.7 | L1496 L1498 | L1496-L1503 HydrophobicContact CB-CD1 4.41Å; L1496-L1503 HydrophobicContact CD2-CD1 4.11Å; L1496-L1503 HydrophobicContact CD2-CD2 4.3Å; L1496-L1503 HydrophobicContact CD2-CG 4.26Å; L1498-L1503 HydrophobicContact CD1-CD1 4.04Å |
| 1504 | S | 26.8 | Very low | 25.9 | Very low | 60 Ų | 60 | 118.3 Ų | 118.3 | 42% | 0.42 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.4 | 175.9 | 66.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1505 | L | 24.3 | Very low | 25.9 | Very low | 82 Ų | 82 | 119.7 Ų | 119.7 | 43% | 0.429 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.2 | 177.2 | -163.6 | 151.7 | 0 | 0 | 0 | 109.3 | L1496 L1507 | L1496-L1505 HydrophobicContact CD2-CD1 4.18Å; L1496-L1505 HydrophobicContact CD2-CG 4.37Å; L1505-L1507 HydrophobicContact CD2-CD1 3.63Å |
| 1506 | K | 26.7 | Very low | 25.9 | Very low | 168 Ų | 168 | 116.1 Ų | 116.1 | 73% | 0.73 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -122.5 | 118 | 172.1 | -79.5 | -165.6 | 171.5 | -164.4 | 0 | 109.9 | ||
| 1507 | L | 25.4 | Very low | 25.8 | Very low | 138 Ų | 138 | 122.1 Ų | 122.1 | 72% | 0.723 | 66% | 0.661 | S | S | * | * | trans | -74.4 | 120.1 | 158.9 | -74.4 | 87.2 | 0 | 0 | 0 | 107.4 | L1505 | L1505-L1507 HydrophobicContact CD2-CD1 3.63Š| ||
| 1508 | G | 25.3 | Very low | 25.7 | Very low | 57 Ų | 57 | 123.4 Ų | 123.4 | 59% | 0.588 | 67% | 0.668 | S | S | * | * | trans | -108.6 | 113.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1509 | S | 28.6 | Very low | 25.5 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | trans | -79.1 | 137 | 159 | 55.1 | 0 | 0 | 0 | 0 | 108.6 | V1511 | S1509-V1511 VanDerWaalsContact C-N 3.27Å; S1509-V1511 PolarHBondContact O-N 3.31Å | ||
| 1510 | D | 24.6 | Very low | 25.1 | Very low | 178 Ų | 178 | 126.4 Ų | 126.4 | 95% | 0.952 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -70 | 82.5 | 174.5 | -78 | -38.5 | 0 | 0 | 0 | 111.1 | ||
| 1511 | V | 26.4 | Very low | 24.8 | Very low | 110 Ų | 110 | 125 Ų | 125 | 67% | 0.667 | 67% | 0.673 | S | S | * | * | trans | -130.6 | 131.9 | 165.6 | -176.7 | 0 | 0 | 0 | 0 | 108.2 | S1509 E1513 | S1509-V1511 VanDerWaalsContact C-N 3.27Å; S1509-V1511 PolarHBondContact O-N 3.31Å; V1511-E1513 PolarHBondContact O-N 3.25Å | ||
| 1512 | N | 26.8 | Very low | 24.5 | Very low | 172 Ų | 172 | 133.1 Ų | 133.1 | 92% | 0.92 | 69% | 0.687 | S | S | * | * | trans | -56.5 | 105.3 | -171.8 | -65.8 | -50.7 | 0 | 0 | 0 | 113.4 | ||||
| 1513 | E | 23.6 | Very low | 24.4 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | trans | -108.7 | 149 | 167 | -71.3 | -158.5 | 159.4 | 0 | 0 | 113.3 | V1511 | V1511-E1513 PolarHBondContact O-N 3.25Š| ||
| 1514 | N | 25.1 | Very low | 24.1 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | -73 | 135.2 | -154.2 | -155.2 | 8.9 | 0 | 0 | 0 | 113.2 | E1516 | N1514-E1516 VanDerWaalsContact C-N 3.27Å; N1514-E1516 PolarHBondContact O-N 3.03Å | ||
| 1515 | P | 25.3 | Very low | 23.7 | Very low | 89 Ų | 89 | 147.1 Ų | 147.1 | 58% | 0.578 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -78.3 | 7.5 | -164.3 | 29.7 | -34.4 | 0 | 0 | 0 | 116.5 | Q1517 L1518 | P1515-Q1517 PolarHBondContact O-N 2.96Å; P1515-L1518 HydrophobicContact CB-CD1 4.18Å; P1515-L1518 PolarHBondContact O-N 2.88Å |
| 1516 | E | 25.8 | Very low | 23.6 | Very low | 129 Ų | 129 | 151.7 Ų | 151.7 | 60% | 0.603 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -70.3 | -26.7 | -177.9 | -88.5 | -76.4 | 106 | 0 | 0 | 113.9 | N1514 L1518 K1519 | N1514-E1516 VanDerWaalsContact C-N 3.27Å; N1514-E1516 PolarHBondContact O-N 3.03Å; E1516-L1518 PolarHBondContact O-N 3.08Å; E1516-K1519 IonicContact OE1-NZ 2.82Å; E1516-K1519 PolarHBondContact OE1-NZ 3.43Å |
| 1517 | Q | 23.5 | Very low | 23.4 | Very low | 194 Ų | 194 | 150.6 Ų | 150.6 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -76.8 | -3.2 | 177.7 | -68.7 | -168.6 | -1.2 | 0 | 0 | 114.4 | P1515 K1519 | P1515-Q1517 PolarHBondContact O-N 2.96Å; Q1517-K1519 PolarHBondContact O-N 2.83Å |
| 1518 | L | 24 | Very low | 23.5 | Very low | 131 Ų | 131 | 152.1 Ų | 152.1 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -81 | -5.2 | -176.6 | -78.5 | 165.5 | 0 | 0 | 0 | 115.4 | P1515 E1516 | P1515-L1518 HydrophobicContact CB-CD1 4.18Å; P1515-L1518 PolarHBondContact O-N 2.88Å; E1516-L1518 PolarHBondContact O-N 3.08Å |
| 1519 | K | 23 | Very low | 23.6 | Very low | 158 Ų | 158 | 152 Ų | 152 | 69% | 0.687 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -83.1 | -19.2 | -167 | -83.9 | 172.8 | -177.2 | 153.7 | 0 | 117 | E1516 Q1517 | E1516-K1519 IonicContact OE1-NZ 2.82Å; E1516-K1519 PolarHBondContact OE1-NZ 3.43Å; Q1517-K1519 PolarHBondContact O-N 2.83Å |
| 1520 | L | 20 | Very low | 23.7 | Very low | 148 Ų | 148 | 151.3 Ų | 151.3 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -100 | -8.3 | -166.3 | -136.2 | 110 | 0 | 0 | 0 | 117.5 | ||
| 1521 | F | 20.1 | Very low | 24.1 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 75% | 0.746 | 73% | 0.73 | S | S | * | * | trans | -132.8 | 43.1 | -176.1 | -81 | -77 | 0 | 0 | 0 | 114.1 | Q1523 | F1521-Q1523 VanDerWaalsContact C-N 3.3Å; F1521-Q1523 PolarHBondContact O-N 3.06Å | ||
| 1522 | R | 20.4 | Very low | 24.5 | Very low | 223 Ų | 223 | 143.4 Ų | 143.4 | 84% | 0.842 | 71% | 0.708 | S | S | * | * | trans | -85.3 | 13.8 | -177.8 | -130.1 | -176.4 | -167.6 | -154.7 | 3.4 | 115.4 | ||||
| 1523 | Q | 20.8 | Very low | 24.9 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 68% | 0.679 | S | S | * | * | trans | -136.4 | 87.1 | -175.2 | -74.3 | -176.8 | -20.9 | 0 | 0 | 112.6 | F1521 | F1521-Q1523 VanDerWaalsContact C-N 3.3Å; F1521-Q1523 PolarHBondContact O-N 3.06Å | ||
| 1524 | L | 19.1 | Very low | 25.4 | Very low | 174 Ų | 174 | 130.6 Ų | 130.6 | 91% | 0.911 | 64% | 0.643 | S | S | * | * | -175.3 | 113.6 | 127.2 | -101.7 | 156.3 | 0 | 0 | 0 | 108.5 | |||||
| 1525 | F | 19.9 | Very low | 26.3 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 69% | 0.689 | 62% | 0.618 | S | S | * | * | trans | -81.9 | 128.1 | -175.3 | -83.5 | -125.9 | 0 | 0 | 0 | 110.5 | Q1527 | F1525-Q1527 HydrophobicContact CD1-CG 3.96Š| ||
| 1526 | L | 21.7 | Very low | 26.7 | Very low | 177 Ų | 177 | 127.2 Ų | 127.2 | 93% | 0.927 | 62% | 0.618 | S | S | * | * | trans | -122.3 | 103.4 | 141.7 | -93.7 | 162.7 | 0 | 0 | 0 | 106.2 | ||||
| 1527 | Q | 22.4 | Very low | 27.4 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 68% | 0.678 | 62% | 0.619 | S | S | * | * | trans | -66.7 | 155.3 | 177.1 | -88.4 | 160.7 | -53.1 | 0 | 0 | 110.8 | F1525 | F1525-Q1527 HydrophobicContact CD1-CG 3.96Š| ||
| 1528 | Q | 27.8 | Very low | 28 | Very low | 170 Ų | 170 | 119.9 Ų | 119.9 | 79% | 0.794 | 58% | 0.58 | S | S | * | * | S | Bend | trans | 81.3 | 89.9 | 175.6 | -55 | 159.3 | 39 | 0 | 0 | 112.7 | ||
| 1529 | G | 28.1 | Very low | 28.6 | Very low | 55 Ų | 55 | 116 Ų | 116 | 57% | 0.567 | 56% | 0.562 | S | S | * | * | trans | -79.7 | 124.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1530 | L | 29 | Very low | 29.3 | Very low | 87 Ų | 87 | 109.8 Ų | 109.8 | 46% | 0.455 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 129 | 166 | -164.5 | 81.3 | 0 | 0 | 0 | 109.6 | I1532 I1542 F1544 | L1530-I1532 HydrophobicContact CD2-CD1 3.85Å; L1530-I1532 HydrophobicContact CD2-CG1 3.88Å; L1530-I1532 HydrophobicContact CG-CG1 4.28Å; L1530-I1542 HydrophobicContact CD1-CG2 3.53Å; L1530-I1542 HydrophobicContact CD2-CG2 4.41Å; L1530-I1542 HydrophobicContact CG-CG2 3.98Å; L1530-F1544 HydrophobicContact CD1-CE1 4.02Å; L1530-F1544 HydrophobicContact CD1-CE2 3.85Å; L1530-F1544 HydrophobicContact CD1-CZ 3.47Å; L1530-F1544 VanDerWaalsContact CD1-CZ 3.47Å |
| 1531 | I | 34 | Very low | 30.1 | Very low | 80 Ų | 80 | 108.2 Ų | 108.2 | 41% | 0.41 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128 | 169.1 | -59.5 | 177.1 | 0 | 0 | 0 | 107.8 | I1542 A1543 | I1531-I1542 WeakPolarHBondContact O-CA 3.34Å; I1531-A1543 PolarHBondContact N-O 3.06Å; I1531-A1543 PolarHBondContact O-N 3.31Å |
| 1532 | I | 34 | Very low | 30.8 | Very low | 41 Ų | 41 | 101.2 Ų | 101.2 | 21% | 0.21 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 106.9 | 174.4 | -57.2 | 173.4 | 0 | 0 | 0 | 106.4 | L1496 L1530 F1540 I1542 | L1496-I1532 HydrophobicContact CD1-CD1 3.86Å; L1530-I1532 HydrophobicContact CD2-CD1 3.85Å; L1530-I1532 HydrophobicContact CD2-CG1 3.88Å; L1530-I1532 HydrophobicContact CG-CG1 4.28Å; I1532-F1540 HydrophobicContact CG2-CB 4.14Å; I1532-F1540 HydrophobicContact CG2-CD1 3.47Å; I1532-F1540 VanDerWaalsContact CG2-CD1 3.47Å; I1532-F1540 HydrophobicContact CG2-CE1 4.2Å; I1532-F1540 HydrophobicContact CG2-CG 4.15Å; I1532-I1542 HydrophobicContact CG1-CG1 4.39Å |
| 1533 | E | 35.5 | Very low | 31.6 | Very low | 65 Ų | 65 | 92.6 Ų | 92.6 | 30% | 0.304 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 126 | -178.5 | -148.1 | 169.8 | -161.7 | 0 | 0 | 108.3 | R1491 F1540 Q1541 | R1491-E1533 IonicContact NE-OE1 3.13Å; R1491-E1533 PolarHBondContact NE-OE1 3.17Å; R1491-E1533 VanDerWaalsContact NE-OE1 3.13Å; E1533-F1540 WeakPolarHBondContact O-CA 3.38Å; E1533-Q1541 PolarHBondContact N-O 3.38Å; E1533-Q1541 PolarHBondContact O-N 3.29Å |
| 1534 | L | 35.3 | Very low | 32.2 | Very low | 28 Ų | 28 | 88.1 Ų | 88.1 | 15% | 0.147 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 116.1 | 173.6 | -179.1 | 61.7 | 0 | 0 | 0 | 108.5 | W1444 F1540 | W1444-L1534 HydrophobicContact CE3-CD2 3.85Å; W1444-L1534 HydrophobicContact CE3-CG 4.36Å; W1444-L1534 HydrophobicContact CZ3-CD2 3.99Å; W1444-L1534 HydrophobicContact CZ3-CG 4.18Å; L1534-F1540 HydrophobicContact CB-CD1 4.01Å; L1534-F1540 HydrophobicContact CB-CE1 3.84Å; L1534-F1540 HydrophobicContact CB-CZ 4.47Å; L1534-F1540 HydrophobicContact CD1-CD1 4.02Å; L1534-F1540 HydrophobicContact CD1-CD2 4Å; L1534-F1540 HydrophobicContact CD1-CE1 3.98Å; L1534-F1540 HydrophobicContact CD1-CE2 3.93Å; L1534-F1540 HydrophobicContact CD1-CG 4.07Å; L1534-F1540 HydrophobicContact CD1-CZ 3.93Å; L1534-F1540 HydrophobicContact CD2-CE1 4.5Å; L1534-F1540 HydrophobicContact CD2-CZ 4.36Å; L1534-F1540 HydrophobicContact CG-CE1 4.32Å; L1534-F1540 HydrophobicContact CG-CZ 4.5Å |
| 1535 | T | 42.4 | Very low | 32.7 | Very low | 35 Ų | 35 | 86.3 Ų | 86.3 | 22% | 0.215 | 44% | 0.439 | C | S | . | . | trans | -77.8 | 159.9 | 176 | 63.5 | 0 | 0 | 0 | 0 | 111.6 | Y1537 G1538 V1539 Q1541 | T1535-Y1537 PolarHBondContact O-N 2.81Å; T1535-G1538 PolarHBondContact O-N 3.41Å; T1535-V1539 WeakPolarHBondContact CB-O 3.49Å; T1535-V1539 PolarHBondContact N-O 2.78Å; T1535-V1539 WeakPolarHBondContact OG1-CB 3.45Å; T1535-V1539 PolarHBondContact OG1-N 3.24Å; T1535-V1539 PolarHBondContact OG1-O 3.47Å; T1535-Q1541 HydrophobicContact CG2-CB 4.26Å | ||
| 1536 | E | 35.3 | Very low | 33.1 | Very low | 124 Ų | 124 | 87.3 Ų | 87.3 | 58% | 0.579 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.9 | 177 | 65.1 | -171.8 | 173.1 | 0 | 0 | 114.5 | W1444 G1538 | W1444-E1536 HydrophobicContact CZ2-CB 4.24Å; E1536-G1538 VanDerWaalsContact C-N 3.29Å; E1536-G1538 PolarHBondContact O-N 3.1Å |
| 1537 | Y | 39.8 | Very low | 33.3 | Very low | 160 Ų | 160 | 84.3 Ų | 84.3 | 63% | 0.627 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 7.6 | 176.3 | -53.7 | -75.4 | 0 | 0 | 0 | 113.6 | Q1437 T1535 V1539 | Q1437-Y1537 PolarHBondContact NE2-O 2.86Å; T1535-Y1537 PolarHBondContact O-N 2.81Å; Y1537-V1539 PolarHBondContact O-N 3.41Å |
| 1538 | G | 36.5 | Very low | 33.3 | Very low | 8 Ų | 8 | 83.7 Ų | 83.7 | 8% | 0.082 | 44% | 0.442 | C | S | . | . | S | Bend | trans | 71.8 | 16.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T1535 E1536 | T1535-G1538 PolarHBondContact O-N 3.41Å; E1536-G1538 VanDerWaalsContact C-N 3.29Å; E1536-G1538 PolarHBondContact O-N 3.1Å |
| 1539 | V | 36.7 | Very low | 33 | Very low | 50 Ų | 50 | 81 Ų | 81 | 30% | 0.303 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -97.1 | 125.4 | 177 | -177 | 0 | 0 | 0 | 0 | 109 | T1535 Y1537 Q1541 | T1535-V1539 WeakPolarHBondContact CB-O 3.49Å; T1535-V1539 PolarHBondContact N-O 2.78Å; T1535-V1539 WeakPolarHBondContact OG1-CB 3.45Å; T1535-V1539 PolarHBondContact OG1-N 3.24Å; T1535-V1539 PolarHBondContact OG1-O 3.47Å; Y1537-V1539 PolarHBondContact O-N 3.41Å; V1539-Q1541 PolarHBondContact O-N 2.87Å |
| 1540 | F | 37.9 | Very low | 32.8 | Very low | 27 Ų | 27 | 85.2 Ų | 85.2 | 12% | 0.118 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 116.1 | 168.6 | -74 | -79.8 | 0 | 0 | 0 | 109.8 | L1430 I1432 F1440 I1532 E1533 L1534 | L1430-F1540 HydrophobicContact CB-CB 4.2Å; L1430-F1540 HydrophobicContact CD2-CB 4.4Å; L1430-F1540 HydrophobicContact CD2-CD2 3.97Å; L1430-F1540 HydrophobicContact CD2-CG 4.38Å; I1432-F1540 HydrophobicContact CD1-CD2 3.55Å; I1432-F1540 HydrophobicContact CD1-CE2 3.45Å; I1432-F1540 VanDerWaalsContact CD1-CE2 3.45Å; F1440-F1540 HydrophobicContact CE1-CZ 4.48Å; F1440-F1540 HydrophobicContact CE2-CE2 4.44Å; F1440-F1540 HydrophobicContact CZ-CE2 4.43Å; F1440-F1540 HydrophobicContact CZ-CZ 4.46Å; I1532-F1540 HydrophobicContact CG2-CB 4.14Å; I1532-F1540 HydrophobicContact CG2-CD1 3.47Å; I1532-F1540 VanDerWaalsContact CG2-CD1 3.47Å; I1532-F1540 HydrophobicContact CG2-CE1 4.2Å; I1532-F1540 HydrophobicContact CG2-CG 4.15Å; E1533-F1540 WeakPolarHBondContact O-CA 3.38Å; L1534-F1540 HydrophobicContact CB-CD1 4.01Å; L1534-F1540 HydrophobicContact CB-CE1 3.84Å; L1534-F1540 HydrophobicContact CB-CZ 4.47Å; L1534-F1540 HydrophobicContact CD1-CD1 4.02Å; L1534-F1540 HydrophobicContact CD1-CD2 4Å; L1534-F1540 HydrophobicContact CD1-CE1 3.98Å; L1534-F1540 HydrophobicContact CD1-CE2 3.93Å; L1534-F1540 HydrophobicContact CD1-CG 4.07Å; L1534-F1540 HydrophobicContact CD1-CZ 3.93Å; L1534-F1540 HydrophobicContact CD2-CE1 4.5Å; L1534-F1540 HydrophobicContact CD2-CZ 4.36Å; L1534-F1540 HydrophobicContact CG-CE1 4.32Å; L1534-F1540 HydrophobicContact CG-CZ 4.5Å |
| 1541 | Q | 35.9 | Very low | 32.4 | Very low | 115 Ų | 115 | 89.1 Ų | 89.1 | 54% | 0.537 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 129.9 | 172.8 | -167.5 | 167 | 11.9 | 0 | 0 | 109.2 | E1533 T1535 V1539 | E1533-Q1541 PolarHBondContact N-O 3.38Å; E1533-Q1541 PolarHBondContact O-N 3.29Å; T1535-Q1541 HydrophobicContact CG2-CB 4.26Å; V1539-Q1541 PolarHBondContact O-N 2.87Å |
| 1542 | I | 35.7 | Very low | 31.9 | Very low | 23 Ų | 23 | 93 Ų | 93 | 12% | 0.118 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.7 | -177 | -60.8 | 178.6 | 0 | 0 | 0 | 108 | W1428 L1530 I1531 I1532 | W1428-I1542 HydrophobicContact CB-CB 4.13Å; W1428-I1542 HydrophobicContact CB-CD1 4.35Å; W1428-I1542 HydrophobicContact CE3-CD1 3.81Å; W1428-I1542 HydrophobicContact CE3-CG2 4.29Å; L1530-I1542 HydrophobicContact CD1-CG2 3.53Å; L1530-I1542 HydrophobicContact CD2-CG2 4.41Å; L1530-I1542 HydrophobicContact CG-CG2 3.98Å; I1531-I1542 WeakPolarHBondContact O-CA 3.34Å; I1532-I1542 HydrophobicContact CG1-CG1 4.39Å |
| 1543 | A | 36 | Very low | 31.4 | Very low | 42 Ų | 42 | 99.9 Ų | 99.9 | 35% | 0.347 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 146.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1531 | I1531-A1543 PolarHBondContact N-O 3.06Å; I1531-A1543 PolarHBondContact O-N 3.31Å |
| 1544 | F | 33.8 | Very low | 30.9 | Very low | 87 Ų | 87 | 103.8 Ų | 103.8 | 38% | 0.382 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 139.7 | 167.6 | -72.6 | -93.2 | 0 | 0 | 0 | 109.4 | L1425 L1530 | L1425-F1544 HydrophobicContact CB-CD2 4.48Å; L1425-F1544 HydrophobicContact CB-CE2 3.74Å; L1425-F1544 HydrophobicContact CB-CZ 4.32Å; L1425-F1544 HydrophobicContact CD1-CE2 4.08Å; L1425-F1544 HydrophobicContact CD1-CZ 3.78Å; L1425-F1544 HydrophobicContact CG-CE2 4.47Å; L1530-F1544 HydrophobicContact CD1-CE1 4.02Å; L1530-F1544 HydrophobicContact CD1-CE2 3.85Å; L1530-F1544 HydrophobicContact CD1-CZ 3.47Å; L1530-F1544 VanDerWaalsContact CD1-CZ 3.47Å |
| 1545 | D | 29.3 | Very low | 30.2 | Very low | 137 Ų | 137 | 109.1 Ų | 109.1 | 73% | 0.733 | 57% | 0.569 | S | S | * | * | trans | -62.8 | 137.6 | 174.3 | -164.6 | 4.8 | 0 | 0 | 0 | 110.7 | C1547 | D1545-C1547 PolarHBondContact O-N 3.41Š| ||
| 1546 | K | 28.5 | Very low | 29.4 | Very low | 178 Ų | 178 | 114.9 Ų | 114.9 | 77% | 0.774 | 60% | 0.598 | S | S | * | * | trans | -79.5 | 106 | -175.5 | -81.9 | -177.2 | 178.9 | 174.1 | 0 | 109.4 | T1548 | K1546-T1548 PolarHBondContact O-N 2.84Š| ||
| 1547 | C | 26.3 | Very low | 28.8 | Very low | 114 Ų | 114 | 117.9 Ų | 117.9 | 77% | 0.77 | 61% | 0.614 | S | S | * | * | trans | -57.8 | 95.3 | 167.9 | -99.6 | 0 | 0 | 0 | 0 | 111.7 | D1545 V1549 | D1545-C1547 PolarHBondContact O-N 3.41Å; C1547-V1549 VanDerWaalsContact C-N 3.27Å; C1547-V1549 HydrophobicContact CB-CG2 4.31Å; C1547-V1549 PolarHBondContact O-N 2.88Å | ||
| 1548 | T | 22.1 | Very low | 28 | Very low | 132 Ų | 132 | 119 Ų | 119 | 81% | 0.81 | 63% | 0.626 | S | S | * | * | trans | -68.1 | 91.1 | 152.8 | 47.2 | 0 | 0 | 0 | 0 | 107.5 | K1546 N1550 | K1546-T1548 PolarHBondContact O-N 2.84Å; T1548-N1550 VanDerWaalsContact C-N 3.31Å; T1548-N1550 PolarHBondContact O-N 3.47Å | ||
| 1549 | V | 22.2 | Very low | 27.3 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 69% | 0.691 | 66% | 0.661 | S | S | * | * | trans | -66.6 | 93.4 | 172.9 | -179.8 | 0 | 0 | 0 | 0 | 107.9 | C1547 M1551 | C1547-V1549 VanDerWaalsContact C-N 3.27Å; C1547-V1549 HydrophobicContact CB-CG2 4.31Å; C1547-V1549 PolarHBondContact O-N 2.88Å; V1549-M1551 PolarHBondContact O-N 3.45Å | ||
| 1550 | N | 22.4 | Very low | 26.7 | Very low | 143 Ų | 143 | 128 Ų | 128 | 77% | 0.765 | 68% | 0.682 | S | S | * | * | trans | -75.6 | 113.6 | 178 | -150 | 11.5 | 0 | 0 | 0 | 108.6 | T1548 E1552 | T1548-N1550 VanDerWaalsContact C-N 3.31Å; T1548-N1550 PolarHBondContact O-N 3.47Å; N1550-E1552 PolarHBondContact O-N 3.11Å | ||
| 1551 | M | 21.7 | Very low | 25.9 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 83% | 0.833 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 19.9 | -153.6 | -110.8 | -72.5 | -159.5 | 0 | 0 | 115.8 | V1549 | V1549-M1551 PolarHBondContact O-N 3.45Š|
| 1552 | E | 23.6 | Very low | 25.4 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 76% | 0.757 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.9 | 4 | -155.4 | -67.1 | -163.9 | 144.6 | 0 | 0 | 118.1 | N1550 | N1550-E1552 PolarHBondContact O-N 3.11Š|
| 1553 | Q | 23.8 | Very low | 24.6 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -127.6 | 25.8 | -177.3 | -68.9 | -167.1 | -9.7 | 0 | 0 | 116.6 | ||
| 1554 | V | 23.2 | Very low | 23.9 | Very low | 147 Ų | 147 | 153 Ų | 153 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -121.3 | 42.2 | 164.6 | -160.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 1555 | N | 22.1 | Very low | 23.4 | Very low | 140 Ų | 140 | 155.8 Ų | 155.8 | 75% | 0.749 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -110.5 | 146.4 | 151.9 | -74.8 | -32.4 | 0 | 0 | 0 | 107.1 | ||
| 1556 | N | 24.5 | Very low | 23 | Very low | 156 Ų | 156 | 161.3 Ų | 161.3 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 86.2 | 46.1 | 178.4 | -47.6 | -15.8 | 0 | 0 | 0 | 117.6 | ||
| 1557 | M | 22.7 | Very low | 22.7 | Very low | 186 Ų | 186 | 159.5 Ų | 159.5 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -142.6 | 86.6 | 144.3 | -149.2 | 66.2 | 168 | 0 | 0 | 109.8 | C1559 | M1557-C1559 PolarHBondContact O-N 3.39Å; M1557-C1559 VanDerWaalsContact O-N 3.1Å | ||
| 1558 | E | 23.3 | Very low | 22.5 | Very low | 185 Ų | 185 | 162.9 Ų | 162.9 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | -66.3 | 106.3 | -178.5 | -66.9 | -177.6 | 132.2 | 0 | 0 | 111 | V1560 | E1558-V1560 PolarHBondContact O-N 2.91Å; E1558-V1560 VanDerWaalsContact O-N 3.11Å | ||
| 1559 | C | 20.8 | Very low | 22.6 | Very low | 122 Ų | 122 | 161.8 Ų | 161.8 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | trans | -79.5 | 91.1 | 173.4 | -168.8 | 0 | 0 | 0 | 0 | 109.7 | M1557 N1561 | M1557-C1559 PolarHBondContact O-N 3.39Å; M1557-C1559 VanDerWaalsContact O-N 3.1Å; C1559-N1561 PolarHBondContact O-N 3.22Å | ||
| 1560 | V | 24.7 | Very low | 22.7 | Very low | 124 Ų | 124 | 164.4 Ų | 164.4 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | trans | -65 | 126.1 | 176.2 | 176.3 | 0 | 0 | 0 | 0 | 110.5 | E1558 H1562 | E1558-V1560 PolarHBondContact O-N 2.91Å; E1558-V1560 VanDerWaalsContact O-N 3.11Å; V1560-H1562 PolarHBondContact O-N 3.32Å | ||
| 1561 | N | 22.1 | Very low | 22.8 | Very low | 120 Ų | 120 | 164.1 Ų | 164.1 | 64% | 0.642 | 82% | 0.823 | S | S | * | * | trans | -61.6 | 127.9 | -177.4 | -67.6 | -71.8 | 0 | 0 | 0 | 113.2 | C1559 | C1559-N1561 PolarHBondContact O-N 3.22Š| ||
| 1562 | H | 24.8 | Very low | 22.9 | Very low | 194 Ų | 194 | 166.4 Ų | 166.4 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | trans | -139.4 | 96.3 | 139.3 | -95.7 | -63.3 | 0 | 0 | 0 | 111.5 | V1560 | V1560-H1562 PolarHBondContact O-N 3.32Š| ||
| 1563 | Y | 19.5 | Very low | 22.9 | Very low | 197 Ų | 197 | 167.2 Ų | 167.2 | 77% | 0.773 | 83% | 0.83 | S | S | * | * | trans | -77.6 | 158.8 | 174.6 | -110.1 | -94.9 | 0 | 0 | 0 | 112.2 | ||||
| 1564 | R | 20.5 | Very low | 23 | Very low | 221 Ų | 221 | 166.8 Ų | 166.8 | 83% | 0.834 | 83% | 0.833 | S | S | * | * | trans | 89.3 | 137.3 | 158.5 | -71 | 171.5 | 174.9 | 161.4 | -0.8 | 120 | ||||
| 1565 | N | 22.7 | Very low | 23 | Very low | 146 Ų | 146 | 168.3 Ų | 168.3 | 78% | 0.781 | 84% | 0.835 | S | S | * | * | trans | 78.2 | 93.3 | 156.4 | -57.1 | -14.4 | 0 | 0 | 0 | 118.8 | ||||
| 1566 | R | 22.1 | Very low | 23 | Very low | 252 Ų | 252 | 166.2 Ų | 166.2 | 95% | 0.951 | 83% | 0.831 | S | S | * | * | -172.5 | 114.1 | 101.5 | -98.1 | 169.7 | -168.7 | -157.5 | 3.1 | 112.4 | |||||
| 1567 | T | 20.5 | Very low | 22.9 | Very low | 141 Ų | 141 | 168.1 Ų | 168.1 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | trans | -84.7 | 125 | 163 | 33.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1568 | M | 23.3 | Very low | 22.8 | Very low | 185 Ų | 185 | 170.1 Ų | 170.1 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | trans | -168 | 120.4 | 145.4 | -110.7 | -165.2 | -179.5 | 0 | 0 | 113.6 | ||||
| 1569 | S | 23.5 | Very low | 22.7 | Very low | 108 Ų | 108 | 166.5 Ų | 166.5 | 76% | 0.755 | 83% | 0.827 | S | S | * | * | trans | 39.7 | 106 | 136.4 | -170.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1570 | I | 25 | Very low | 22.8 | Very low | 169 Ų | 169 | 165.8 Ų | 165.8 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | trans | -129.5 | 141.6 | 151.2 | -63.4 | -177.2 | 0 | 0 | 0 | 109.8 | ||||
| 1571 | D | 24.2 | Very low | 22.7 | Very low | 137 Ų | 137 | 166 Ų | 166 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | trans | -50.5 | 144.3 | -157.5 | -78.9 | -60.2 | 0 | 0 | 0 | 122.1 | K1573 | D1571-K1573 HydrophobicContact CB-CB 4.43Å; D1571-K1573 PolarHBondContact O-N 3.01Å; D1571-K1573 VanDerWaalsContact O-N 3.08Å | ||
| 1572 | K | 23.7 | Very low | 22.8 | Very low | 217 Ų | 217 | 167.7 Ų | 167.7 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | trans | -74.9 | 72.3 | 162.7 | -65.6 | 179.1 | 174.7 | -179 | 0 | 112.3 | ||||
| 1573 | K | 24.7 | Very low | 22.9 | Very low | 179 Ų | 179 | 164 Ų | 164 | 78% | 0.778 | 82% | 0.822 | S | S | * | * | trans | -124.5 | 12.5 | -177.3 | -119.1 | 177.1 | -176.3 | 175.6 | 0 | 118.3 | D1571 | D1571-K1573 HydrophobicContact CB-CB 4.43Å; D1571-K1573 PolarHBondContact O-N 3.01Å; D1571-K1573 VanDerWaalsContact O-N 3.08Å | ||
| 1574 | L | 25.3 | Very low | 23.3 | Very low | 176 Ų | 176 | 159.7 Ų | 159.7 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -124.4 | 17.9 | -176.9 | -92.2 | 163 | 0 | 0 | 0 | 115.6 | ||
| 1575 | L | 22.2 | Very low | 23.9 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 94% | 0.942 | 80% | 0.801 | S | S | * | * | trans | -124.6 | 35.7 | -177.3 | -87.9 | 167.7 | 0 | 0 | 0 | 113.9 | ||||
| 1576 | S | 22.7 | Very low | 24.3 | Very low | 96 Ų | 96 | 150.4 Ų | 150.4 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | -117.2 | 21.5 | -174.2 | 70.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 1577 | F | 22.1 | Very low | 24.7 | Very low | 195 Ų | 195 | 146.1 Ų | 146.1 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -130.1 | 14.5 | -178 | -87.9 | -68.8 | 0 | 0 | 0 | 116.3 | ||
| 1578 | Y | 21.2 | Very low | 25.2 | Very low | 228 Ų | 228 | 145.6 Ų | 145.6 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | trans | -125.1 | 94.3 | 166.5 | -79.4 | -85.4 | 0 | 0 | 0 | 110 | P1580 | Y1578-P1580 WeakPolarHBondContact O-CD 3.34Š| ||
| 1579 | S | 20.7 | Very low | 25.8 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -90.8 | 106.5 | 164.4 | 55.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1580 | P | 24 | Very low | 26.4 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 70% | 0.695 | 73% | 0.73 | S | S | * | * | trans | -62.7 | 139.7 | 171.2 | 27 | -33.1 | 0 | 0 | 0 | 109.7 | Y1578 N1582 | Y1578-P1580 WeakPolarHBondContact O-CD 3.34Å; P1580-N1582 PolarHBondContact O-N 2.84Å | ||
| 1581 | V | 22.5 | Very low | 26.9 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 78% | 0.782 | 71% | 0.711 | S | S | * | * | trans | -72.1 | 111.6 | -178.5 | 175.1 | 0 | 0 | 0 | 0 | 109 | T1583 | V1581-T1583 PolarHBondContact O-N 3.37Š| ||
| 1582 | N | 24.4 | Very low | 27.6 | Very low | 155 Ų | 155 | 133.6 Ų | 133.6 | 83% | 0.829 | 70% | 0.697 | S | S | * | * | trans | -73.9 | 89.2 | 177.5 | -73.8 | -26.7 | 0 | 0 | 0 | 111.2 | P1580 | P1580-N1582 PolarHBondContact O-N 2.84Š| ||
| 1583 | T | 25.8 | Very low | 28.5 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 72% | 0.718 | 68% | 0.678 | S | S | * | * | trans | -78.7 | 143.9 | 152.2 | 42.1 | 0 | 0 | 0 | 0 | 109.7 | V1581 | V1581-T1583 PolarHBondContact O-N 3.37Š| ||
| 1584 | P | 29 | Very low | 29.2 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 68% | 0.682 | 67% | 0.671 | S | S | * | * | trans | -76.9 | 133.6 | -150.8 | 28.2 | -35.4 | 0 | 0 | 0 | 114.1 | D1586 | P1584-D1586 PolarHBondContact O-N 3.39Å; P1584-D1586 VanDerWaalsContact O-N 3.1Å | ||
| 1585 | S | 31.8 | Very low | 29.8 | Very low | 68 Ų | 68 | 126.8 Ų | 126.8 | 48% | 0.476 | 66% | 0.657 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.1 | 5.7 | -177.4 | 47.5 | 0 | 0 | 0 | 0 | 115.1 | F1587 H1588 N1589 | S1585-F1587 PolarHBondContact O-N 2.99Å; S1585-H1588 PolarHBondContact O-N 3.23Å; S1585-N1589 VanDerWaalsContact O-CB 3.26Å; S1585-N1589 WeakPolarHBondContact O-CB 3.33Å; S1585-N1589 VanDerWaalsContact O-CG 3.26Å; S1585-N1589 PolarHBondContact O-N 3.29Å; S1585-N1589 PolarHBondContact O-ND2 3.47Å; S1585-N1589 PolarHBondContact OG-ND2 3.41Å |
| 1586 | D | 31.5 | Very low | 30.9 | Very low | 104 Ų | 104 | 120.8 Ų | 120.8 | 56% | 0.556 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.4 | -40.7 | -166.4 | -65.8 | -26.6 | 0 | 0 | 0 | 113 | P1584 N1589 I1590 | P1584-D1586 PolarHBondContact O-N 3.39Å; P1584-D1586 VanDerWaalsContact O-N 3.1Å; D1586-N1589 PolarHBondContact O-N 2.85Å; D1586-I1590 WeakPolarHBondContact O-CB 3.34Å; D1586-I1590 WeakPolarHBondContact O-CD1 3.05Å; D1586-I1590 WeakPolarHBondContact O-CG1 3.23Å; D1586-I1590 PolarHBondContact O-N 3.31Å |
| 1587 | F | 31 | Very low | 32.1 | Very low | 163 Ų | 163 | 122.5 Ų | 122.5 | 72% | 0.715 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.7 | -40.1 | 178.4 | -157.6 | -93.4 | 0 | 0 | 0 | 112.3 | S1585 I1590 L1591 | S1585-F1587 PolarHBondContact O-N 2.99Å; F1587-I1590 PolarHBondContact O-N 3.21Å; F1587-L1591 HydrophobicContact CD1-CD1 4.1Å; F1587-L1591 HydrophobicContact CE1-CD1 3.93Å; F1587-L1591 PolarHBondContact O-N 3.42Å; F1587-L1591 VanDerWaalsContact O-N 3.12Å |
| 1588 | H | 31.6 | Very low | 33.1 | Very low | 129 Ų | 129 | 117.2 Ų | 117.2 | 60% | 0.597 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.4 | -40.1 | 176.7 | -167.3 | 70.4 | 0 | 0 | 0 | 111.6 | S1585 L1591 I1592 | S1585-H1588 PolarHBondContact O-N 3.23Å; H1588-L1591 PolarHBondContact O-N 3.45Å; H1588-I1592 WeakPolarHBondContact NE2-CD1 3.11Å; H1588-I1592 WeakPolarHBondContact O-CG1 3.37Å; H1588-I1592 PolarHBondContact O-N 3.44Å |
| 1589 | N | 35.5 | Very low | 34.4 | Very low | 65 Ų | 65 | 110.7 Ų | 110.7 | 35% | 0.348 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.6 | -34.1 | 173.1 | -76 | -26.4 | 0 | 0 | 0 | 112.3 | S1585 D1586 N1593 | S1585-N1589 VanDerWaalsContact O-CB 3.26Å; S1585-N1589 WeakPolarHBondContact O-CB 3.33Å; S1585-N1589 VanDerWaalsContact O-CG 3.26Å; S1585-N1589 PolarHBondContact O-N 3.29Å; S1585-N1589 PolarHBondContact O-ND2 3.47Å; S1585-N1589 PolarHBondContact OG-ND2 3.41Å; D1586-N1589 PolarHBondContact O-N 2.85Å; N1589-N1593 WeakPolarHBondContact O-CB 3.39Å; N1589-N1593 PolarHBondContact O-N 3.45Å; N1589-N1593 PolarHBondContact O-ND2 3.3Å |
| 1590 | I | 36.6 | Very low | 36.5 | Very low | 109 Ų | 109 | 111.6 Ų | 111.6 | 56% | 0.559 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -63.5 | -46.2 | 173.6 | -74.4 | 161.7 | 0 | 0 | 0 | 110.3 | D1586 F1587 N1593 R1594 | D1586-I1590 WeakPolarHBondContact O-CB 3.34Å; D1586-I1590 WeakPolarHBondContact O-CD1 3.05Å; D1586-I1590 WeakPolarHBondContact O-CG1 3.23Å; D1586-I1590 PolarHBondContact O-N 3.31Å; F1587-I1590 PolarHBondContact O-N 3.21Å; I1590-N1593 PolarHBondContact O-N 3.04Å; I1590-R1594 VanDerWaalsContact O-CB 3.28Å; I1590-R1594 WeakPolarHBondContact O-CB 3.16Å; I1590-R1594 PolarHBondContact O-N 3.33Å |
| 1591 | L | 33.6 | Very low | 38.4 | Very low | 89 Ų | 89 | 109.8 Ų | 109.8 | 47% | 0.466 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.2 | -47.5 | 176.1 | -86 | 163.6 | 0 | 0 | 0 | 112.3 | F1587 H1588 R1594 Y1595 | F1587-L1591 HydrophobicContact CD1-CD1 4.1Å; F1587-L1591 HydrophobicContact CE1-CD1 3.93Å; F1587-L1591 PolarHBondContact O-N 3.42Å; F1587-L1591 VanDerWaalsContact O-N 3.12Å; H1588-L1591 PolarHBondContact O-N 3.45Å; L1591-R1594 PolarHBondContact O-N 3.3Å; L1591-Y1595 WeakPolarHBondContact O-CB 3.34Å; L1591-Y1595 PolarHBondContact O-N 3.45Å |
| 1592 | I | 38.8 | Very low | 39.3 | Very low | 84 Ų | 84 | 108.4 Ų | 108.4 | 43% | 0.431 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.7 | -72.4 | 176.4 | 0 | 0 | 0 | 111.4 | H1588 R1594 Y1595 A1596 | H1588-I1592 WeakPolarHBondContact NE2-CD1 3.11Å; H1588-I1592 WeakPolarHBondContact O-CG1 3.37Å; H1588-I1592 PolarHBondContact O-N 3.44Å; I1592-R1594 VanDerWaalsContact C-N 3.32Å; I1592-R1594 PolarHBondContact O-N 3.2Å; I1592-Y1595 PolarHBondContact O-N 3.16Å; I1592-A1596 WeakPolarHBondContact O-CB 3.48Å; I1592-A1596 PolarHBondContact O-N 3.49Å |
| 1593 | N | 43.6 | Very low | 40.9 | Very low | 105 Ų | 105 | 108 Ų | 108 | 56% | 0.561 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66 | -36.1 | 178.5 | -75.9 | -42.9 | 0 | 0 | 0 | 111.6 | N1589 I1590 A1596 F1597 | N1589-N1593 WeakPolarHBondContact O-CB 3.39Å; N1589-N1593 PolarHBondContact O-N 3.45Å; N1589-N1593 PolarHBondContact O-ND2 3.3Å; I1590-N1593 PolarHBondContact O-N 3.04Å; N1593-A1596 PolarHBondContact O-N 3.49Å; N1593-F1597 WeakPolarHBondContact O-CB 3.01Å; N1593-F1597 PolarHBondContact O-N 3.12Å |
| 1594 | R | 39.2 | Very low | 43.6 | Very low | 165 Ų | 165 | 106.3 Ų | 106.3 | 62% | 0.623 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68 | -46.5 | 174.7 | -172.9 | 165.6 | -177.3 | 156.6 | -2.1 | 111.6 | I1590 L1591 I1592 A1596 F1597 E1598 | I1590-R1594 VanDerWaalsContact O-CB 3.28Å; I1590-R1594 WeakPolarHBondContact O-CB 3.16Å; I1590-R1594 PolarHBondContact O-N 3.33Å; L1591-R1594 PolarHBondContact O-N 3.3Å; I1592-R1594 VanDerWaalsContact C-N 3.32Å; I1592-R1594 PolarHBondContact O-N 3.2Å; R1594-A1596 VanDerWaalsContact C-N 3.33Å; R1594-A1596 PolarHBondContact O-N 2.74Å; R1594-F1597 PolarHBondContact O-N 3.05Å; R1594-E1598 WeakPolarHBondContact CG-OE1 3.22Å; R1594-E1598 IonicContact CZ-OE1 2.68Å; R1594-E1598 IonicContact NE-OE1 3.48Å; R1594-E1598 PolarHBondContact NE-OE1 2.76Å; R1594-E1598 IonicContact NH2-OE1 3.3Å; R1594-E1598 WeakPolarHBondContact O-CB 3.42Å; R1594-E1598 WeakPolarHBondContact O-CG 3.13Å; R1594-E1598 PolarHBondContact O-N 3.49Å |
| 1595 | Y | 37.3 | Very low | 45.6 | Very low | 159 Ų | 159 | 108.2 Ų | 108.2 | 62% | 0.624 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.3 | -38.7 | 173.4 | -109.6 | -78.1 | 0 | 0 | 0 | 112.7 | L1591 I1592 N1599 | L1591-Y1595 WeakPolarHBondContact O-CB 3.34Å; L1591-Y1595 PolarHBondContact O-N 3.45Å; I1592-Y1595 PolarHBondContact O-N 3.16Å; Y1595-N1599 WeakPolarHBondContact O-CB 3.4Å; Y1595-N1599 PolarHBondContact O-N 3.46Å; Y1595-N1599 PolarHBondContact O-ND2 2.8Å |
| 1596 | A | 45.5 | Very low | 47 | Very low | 54 Ų | 54 | 110 Ų | 110 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.8 | -35.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1592 N1593 R1594 K1600 | I1592-A1596 WeakPolarHBondContact O-CB 3.48Å; I1592-A1596 PolarHBondContact O-N 3.49Å; N1593-A1596 PolarHBondContact O-N 3.49Å; R1594-A1596 VanDerWaalsContact C-N 3.33Å; R1594-A1596 PolarHBondContact O-N 2.74Å; A1596-K1600 VanDerWaalsContact O-CB 3.24Å; A1596-K1600 WeakPolarHBondContact O-CB 3.36Å; A1596-K1600 PolarHBondContact O-N 2.83Å |
| 1597 | F | 49.4 | Very low | 49 | Very low | 132 Ų | 132 | 110.4 Ų | 110.4 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.1 | -44.6 | 175.8 | -173.9 | -105 | 0 | 0 | 0 | 112.1 | N1593 R1594 K1600 I1601 | N1593-F1597 WeakPolarHBondContact O-CB 3.01Å; N1593-F1597 PolarHBondContact O-N 3.12Å; R1594-F1597 PolarHBondContact O-N 3.05Å; F1597-K1600 PolarHBondContact O-N 2.91Å; F1597-I1601 HydrophobicContact CD1-CD1 3.76Å; F1597-I1601 HydrophobicContact CE1-CD1 3.41Å; F1597-I1601 VanDerWaalsContact CE1-CD1 3.41Å; F1597-I1601 HydrophobicContact CE1-CG1 4.47Å; F1597-I1601 HydrophobicContact CZ-CD1 3.88Å; F1597-I1601 WeakPolarHBondContact O-CG1 3.32Å; F1597-I1601 PolarHBondContact O-N 3.35Å |
| 1598 | E | 42.5 | Very low | 51.4 | Low | 84 Ų | 84 | 105.4 Ų | 105.4 | 39% | 0.393 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 176.3 | -71.4 | 173.8 | -166 | 0 | 0 | 111.3 | R1594 K1600 I1601 L1602 | R1594-E1598 WeakPolarHBondContact CG-OE1 3.22Å; R1594-E1598 IonicContact CZ-OE1 2.68Å; R1594-E1598 IonicContact NE-OE1 3.48Å; R1594-E1598 PolarHBondContact NE-OE1 2.76Å; R1594-E1598 IonicContact NH2-OE1 3.3Å; R1594-E1598 WeakPolarHBondContact O-CB 3.42Å; R1594-E1598 WeakPolarHBondContact O-CG 3.13Å; R1594-E1598 PolarHBondContact O-N 3.49Å; E1598-K1600 VanDerWaalsContact C-N 3.32Å; E1598-K1600 PolarHBondContact O-N 3.46Å; E1598-I1601 PolarHBondContact O-N 2.94Å; E1598-L1602 PolarHBondContact O-N 3.04Å |
| 1599 | N | 47.7 | Very low | 52.9 | Low | 92 Ų | 92 | 104.5 Ų | 104.5 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 170.8 | -85.5 | -50 | 0 | 0 | 0 | 112.6 | Y1595 L1602 K1603 | Y1595-N1599 WeakPolarHBondContact O-CB 3.4Å; Y1595-N1599 PolarHBondContact O-N 3.46Å; Y1595-N1599 PolarHBondContact O-ND2 2.8Å; N1599-L1602 PolarHBondContact O-N 2.9Å; N1599-K1603 WeakPolarHBondContact O-CB 3.22Å; N1599-K1603 PolarHBondContact O-N 2.88Å |
| 1600 | K | 64.7 | Low | 54.7 | Low | 128 Ų | 128 | 104.5 Ų | 104.5 | 56% | 0.557 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.2 | -46.5 | 174.9 | -174.2 | -179.8 | 176.3 | -174 | 0 | 111.1 | A1596 F1597 E1598 L1602 K1603 D1604 | A1596-K1600 VanDerWaalsContact O-CB 3.24Å; A1596-K1600 WeakPolarHBondContact O-CB 3.36Å; A1596-K1600 PolarHBondContact O-N 2.83Å; F1597-K1600 PolarHBondContact O-N 2.91Å; E1598-K1600 VanDerWaalsContact C-N 3.32Å; E1598-K1600 PolarHBondContact O-N 3.46Å; K1600-L1602 VanDerWaalsContact C-N 3.3Å; K1600-L1602 PolarHBondContact O-N 2.92Å; K1600-K1603 PolarHBondContact O-N 3.04Å; K1600-K1603 VanDerWaalsContact O-N 3.14Å; K1600-D1604 WeakPolarHBondContact O-CB 3.49Å; K1600-D1604 PolarHBondContact O-N 3.19Å |
| 1601 | I | 65 | Low | 56.9 | Low | 69 Ų | 69 | 103.2 Ų | 103.2 | 35% | 0.354 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 175.7 | -71.4 | 167.2 | 0 | 0 | 0 | 111.3 | F1597 E1598 K1605 | F1597-I1601 HydrophobicContact CD1-CD1 3.76Å; F1597-I1601 HydrophobicContact CE1-CD1 3.41Å; F1597-I1601 VanDerWaalsContact CE1-CD1 3.41Å; F1597-I1601 HydrophobicContact CE1-CG1 4.47Å; F1597-I1601 HydrophobicContact CZ-CD1 3.88Å; F1597-I1601 WeakPolarHBondContact O-CG1 3.32Å; F1597-I1601 PolarHBondContact O-N 3.35Å; E1598-I1601 PolarHBondContact O-N 2.94Å; I1601-K1605 HydrophobicContact CG2-CD 4.3Å; I1601-K1605 WeakPolarHBondContact O-CB 3.23Å; I1601-K1605 WeakPolarHBondContact O-CG 3.44Å; I1601-K1605 PolarHBondContact O-N 3.02Å |
| 1602 | L | 39.8 | Very low | 58.8 | Low | 100 Ų | 100 | 105.1 Ų | 105.1 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 174.5 | -90.8 | 157.3 | 0 | 0 | 0 | 111.9 | E1598 N1599 K1600 K1605 I1606 | E1598-L1602 PolarHBondContact O-N 3.04Å; N1599-L1602 PolarHBondContact O-N 2.9Å; K1600-L1602 VanDerWaalsContact C-N 3.3Å; K1600-L1602 PolarHBondContact O-N 2.92Å; L1602-K1605 PolarHBondContact O-N 3.47Å; L1602-I1606 VanDerWaalsContact O-CG1 3.27Å; L1602-I1606 WeakPolarHBondContact O-CG1 3.48Å; L1602-I1606 PolarHBondContact O-N 3.36Å |
| 1603 | K | 59.6 | Low | 59.9 | Low | 147 Ų | 147 | 106.2 Ų | 106.2 | 64% | 0.639 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.4 | -45.4 | 178.9 | -160.1 | 177 | -173.4 | -177.2 | 0 | 112.1 | N1599 K1600 K1605 I1606 E1607 | N1599-K1603 WeakPolarHBondContact O-CB 3.22Å; N1599-K1603 PolarHBondContact O-N 2.88Å; K1600-K1603 PolarHBondContact O-N 3.04Å; K1600-K1603 VanDerWaalsContact O-N 3.14Å; K1603-K1605 VanDerWaalsContact C-N 3.31Å; K1603-K1605 PolarHBondContact O-N 3.46Å; K1603-I1606 PolarHBondContact O-N 3.1Å; K1603-E1607 WeakPolarHBondContact O-CB 3.45Å; K1603-E1607 PolarHBondContact O-N 3.05Å |
| 1604 | D | 82.2 | Confident | 61.5 | Low | 81 Ų | 81 | 106.4 Ų | 106.4 | 43% | 0.433 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -38.5 | 176.6 | -65.1 | -10.6 | 0 | 0 | 0 | 110.8 | K1600 A1608 | K1600-D1604 WeakPolarHBondContact O-CB 3.49Å; K1600-D1604 PolarHBondContact O-N 3.19Å; D1604-A1608 WeakPolarHBondContact O-CB 3.33Å; D1604-A1608 PolarHBondContact O-N 3.22Å |
| 1605 | K | 69.8 | Low | 63.1 | Low | 146 Ų | 146 | 105.7 Ų | 105.7 | 64% | 0.635 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.8 | -43 | 173.3 | -79.6 | -179.4 | 176.8 | -176 | 0 | 113.1 | I1601 L1602 K1603 E1607 A1608 L1609 | I1601-K1605 HydrophobicContact CG2-CD 4.3Å; I1601-K1605 WeakPolarHBondContact O-CB 3.23Å; I1601-K1605 WeakPolarHBondContact O-CG 3.44Å; I1601-K1605 PolarHBondContact O-N 3.02Å; L1602-K1605 PolarHBondContact O-N 3.47Å; K1603-K1605 VanDerWaalsContact C-N 3.31Å; K1603-K1605 PolarHBondContact O-N 3.46Å; K1605-E1607 VanDerWaalsContact C-N 3.34Å; K1605-A1608 PolarHBondContact O-N 2.87Å; K1605-L1609 WeakPolarHBondContact O-CB 3.31Å; K1605-L1609 PolarHBondContact O-N 3.42Å |
| 1606 | I | 61.1 | Low | 64.2 | Low | 105 Ų | 105 | 103.7 Ų | 103.7 | 54% | 0.538 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 177.1 | -70.7 | 164.2 | 0 | 0 | 0 | 110.2 | L1602 K1603 L1609 T1610 | L1602-I1606 VanDerWaalsContact O-CG1 3.27Å; L1602-I1606 WeakPolarHBondContact O-CG1 3.48Å; L1602-I1606 PolarHBondContact O-N 3.36Å; K1603-I1606 PolarHBondContact O-N 3.1Å; I1606-L1609 PolarHBondContact O-N 3.11Å; I1606-T1610 VanDerWaalsContact O-CB 3.32Å; I1606-T1610 WeakPolarHBondContact O-CB 3.43Å; I1606-T1610 PolarHBondContact O-N 3.31Å; I1606-T1610 PolarHBondContact O-OG1 2.77Å |
| 1607 | E | 75 | Confident | 64.4 | Low | 113 Ų | 113 | 110 Ų | 110 | 53% | 0.528 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 177 | -170.3 | 166.8 | 177.7 | 0 | 0 | 111.7 | K1603 K1605 T1610 N1611 | K1603-E1607 WeakPolarHBondContact O-CB 3.45Å; K1603-E1607 PolarHBondContact O-N 3.05Å; K1605-E1607 VanDerWaalsContact C-N 3.34Å; E1607-T1610 PolarHBondContact O-N 2.92Å; E1607-N1611 WeakPolarHBondContact O-CB 3.37Å; E1607-N1611 PolarHBondContact O-N 3.23Å; E1607-N1611 PolarHBondContact O-ND2 3.13Å; E1607-N1611 VanDerWaalsContact O-ND2 3.13Å |
| 1608 | A | 79.9 | Confident | 64.9 | Low | 58 Ų | 58 | 106.6 Ų | 106.6 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.5 | -47.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1604 K1605 T1610 N1611 E1612 | D1604-A1608 WeakPolarHBondContact O-CB 3.33Å; D1604-A1608 PolarHBondContact O-N 3.22Å; K1605-A1608 PolarHBondContact O-N 2.87Å; A1608-T1610 VanDerWaalsContact C-N 3.32Å; A1608-T1610 PolarHBondContact O-N 2.92Å; A1608-N1611 PolarHBondContact O-N 3.36Å; A1608-E1612 PolarHBondContact O-N 2.99Å |
| 1609 | L | 63.2 | Low | 65.4 | Low | 110 Ų | 110 | 109.7 Ų | 109.7 | 58% | 0.576 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62.3 | -39.5 | 176.5 | -166.1 | 84.5 | 0 | 0 | 0 | 111.7 | K1605 I1606 N1611 E1612 L1613 | K1605-L1609 WeakPolarHBondContact O-CB 3.31Å; K1605-L1609 PolarHBondContact O-N 3.42Å; I1606-L1609 PolarHBondContact O-N 3.11Å; L1609-N1611 VanDerWaalsContact C-N 3.35Å; L1609-E1612 PolarHBondContact O-N 2.82Å; L1609-L1613 WeakPolarHBondContact O-CB 3.4Å; L1609-L1613 PolarHBondContact O-N 3.2Å |
| 1610 | T | 74.5 | Confident | 65.2 | Low | 65 Ų | 65 | 113 Ų | 113 | 40% | 0.399 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67 | -37.7 | 177.6 | -55 | 0 | 0 | 0 | 0 | 111.2 | I1606 E1607 A1608 L1613 M1614 | I1606-T1610 VanDerWaalsContact O-CB 3.32Å; I1606-T1610 WeakPolarHBondContact O-CB 3.43Å; I1606-T1610 PolarHBondContact O-N 3.31Å; I1606-T1610 PolarHBondContact O-OG1 2.77Å; E1607-T1610 PolarHBondContact O-N 2.92Å; A1608-T1610 VanDerWaalsContact C-N 3.32Å; A1608-T1610 PolarHBondContact O-N 2.92Å; T1610-L1613 PolarHBondContact O-N 3.02Å; T1610-M1614 HydrophobicContact CG2-CE 4.41Å; T1610-M1614 WeakPolarHBondContact O-CB 3.12Å; T1610-M1614 WeakPolarHBondContact O-CG 3.48Å; T1610-M1614 PolarHBondContact O-N 3.36Å |
| 1611 | N | 82.2 | Confident | 64.3 | Low | 82 Ų | 82 | 113.1 Ų | 113.1 | 44% | 0.439 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.6 | -36.5 | 174.7 | -76.9 | -37.8 | 0 | 0 | 0 | 112.6 | E1607 A1608 L1609 M1614 K1615 | E1607-N1611 WeakPolarHBondContact O-CB 3.37Å; E1607-N1611 PolarHBondContact O-N 3.23Å; E1607-N1611 PolarHBondContact O-ND2 3.13Å; E1607-N1611 VanDerWaalsContact O-ND2 3.13Å; A1608-N1611 PolarHBondContact O-N 3.36Å; L1609-N1611 VanDerWaalsContact C-N 3.35Å; N1611-M1614 PolarHBondContact O-N 3.48Å; N1611-K1615 WeakPolarHBondContact O-CB 3.18Å; N1611-K1615 PolarHBondContact O-N 3.27Å |
| 1612 | E | 73.9 | Confident | 63.4 | Low | 129 Ų | 129 | 116.3 Ų | 116.3 | 60% | 0.603 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.1 | -45.3 | 168.7 | -80.9 | -143.4 | 133.1 | 0 | 0 | 112.1 | A1608 L1609 M1614 K1615 L1616 | A1608-E1612 PolarHBondContact O-N 2.99Å; L1609-E1612 PolarHBondContact O-N 2.82Å; E1612-M1614 VanDerWaalsContact C-N 3.32Å; E1612-M1614 PolarHBondContact O-N 3.36Å; E1612-K1615 CarbonylContact O-C 3.36Å; E1612-K1615 WeakPolarHBondContact O-CA 3.35Å; E1612-K1615 WeakPolarHBondContact O-CB 3.45Å; E1612-K1615 PolarHBondContact O-N 2.82Å; E1612-K1615 VanDerWaalsContact O-N 3.08Å; E1612-L1616 PolarHBondContact O-N 2.99Å |
| 1613 | L | 62.3 | Low | 64.6 | Low | 106 Ų | 106 | 117.1 Ų | 117.1 | 56% | 0.555 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.7 | -39.5 | 175.1 | -94.9 | 161.7 | 0 | 0 | 0 | 112.2 | L1609 T1610 R1617 | L1609-L1613 WeakPolarHBondContact O-CB 3.4Å; L1609-L1613 PolarHBondContact O-N 3.2Å; T1610-L1613 PolarHBondContact O-N 3.02Å; L1613-R1617 WeakPolarHBondContact O-CB 3.44Å; L1613-R1617 PolarHBondContact O-N 3.1Å |
| 1614 | M | 77.2 | Confident | 64.8 | Low | 110 Ų | 110 | 115.5 Ų | 115.5 | 54% | 0.542 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.5 | -35 | 172.5 | -77 | -160 | -72.8 | 0 | 0 | 112.5 | T1610 N1611 E1612 R1617 S1618 | T1610-M1614 HydrophobicContact CG2-CE 4.41Å; T1610-M1614 WeakPolarHBondContact O-CB 3.12Å; T1610-M1614 WeakPolarHBondContact O-CG 3.48Å; T1610-M1614 PolarHBondContact O-N 3.36Å; N1611-M1614 PolarHBondContact O-N 3.48Å; E1612-M1614 VanDerWaalsContact C-N 3.32Å; E1612-M1614 PolarHBondContact O-N 3.36Å; M1614-R1617 PolarHBondContact O-N 3.11Å; M1614-S1618 WeakPolarHBondContact O-CB 3.21Å; M1614-S1618 PolarHBondContact O-N 3.27Å; M1614-S1618 PolarHBondContact O-OG 3.24Å |
| 1615 | K | 72.4 | Confident | 63.8 | Low | 150 Ų | 150 | 117.4 Ų | 117.4 | 65% | 0.652 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.9 | -51.1 | 171.9 | -109.9 | -177.4 | 175.6 | -178.2 | 0 | 111.6 | N1611 E1612 R1617 S1618 M1619 | N1611-K1615 WeakPolarHBondContact O-CB 3.18Å; N1611-K1615 PolarHBondContact O-N 3.27Å; E1612-K1615 CarbonylContact O-C 3.36Å; E1612-K1615 WeakPolarHBondContact O-CA 3.35Å; E1612-K1615 WeakPolarHBondContact O-CB 3.45Å; E1612-K1615 PolarHBondContact O-N 2.82Å; E1612-K1615 VanDerWaalsContact O-N 3.08Å; K1615-R1617 VanDerWaalsContact C-N 3.3Å; K1615-R1617 PolarHBondContact O-N 3.35Å; K1615-S1618 CarbonylContact O-C 3.57Å; K1615-S1618 PolarHBondContact O-N 2.89Å; K1615-S1618 VanDerWaalsContact O-N 3.1Å; K1615-S1618 PolarHBondContact O-OG 3.28Å; K1615-M1619 WeakPolarHBondContact O-CG 3.48Å; K1615-M1619 PolarHBondContact O-N 3.44Å |
| 1616 | L | 61.1 | Low | 63.5 | Low | 117 Ų | 117 | 115.8 Ų | 115.8 | 61% | 0.613 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -58.3 | -42.5 | 175.6 | -75.8 | 165.4 | 0 | 0 | 0 | 111.1 | E1612 S1618 M1619 H1620 | E1612-L1616 PolarHBondContact O-N 2.99Å; L1616-S1618 PolarHBondContact O-N 3.05Å; L1616-M1619 CarbonylContact O-C 3.45Å; L1616-M1619 PolarHBondContact O-N 3.04Å; L1616-H1620 WeakPolarHBondContact O-CB 3.25Å; L1616-H1620 PolarHBondContact O-N 3.28Å |
| 1617 | R | 48.5 | Very low | 63.6 | Low | 185 Ų | 185 | 116.4 Ų | 116.4 | 70% | 0.698 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.1 | -32.8 | 175.5 | -161.7 | 176.1 | -167.5 | -177.3 | 4.8 | 112.8 | L1613 M1614 K1615 H1620 N1621 | L1613-R1617 WeakPolarHBondContact O-CB 3.44Å; L1613-R1617 PolarHBondContact O-N 3.1Å; M1614-R1617 PolarHBondContact O-N 3.11Å; K1615-R1617 VanDerWaalsContact C-N 3.3Å; K1615-R1617 PolarHBondContact O-N 3.35Å; R1617-H1620 PolarHBondContact O-N 3.41Å; R1617-N1621 WeakPolarHBondContact O-CB 3.36Å; R1617-N1621 PolarHBondContact O-N 2.94Å; R1617-N1621 VanDerWaalsContact O-N 3.1Å; R1617-N1621 PolarHBondContact O-ND2 3.1Å |
| 1618 | S | 59.3 | Low | 62.9 | Low | 62 Ų | 62 | 116.7 Ų | 116.7 | 43% | 0.434 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72 | -36 | 173.1 | 73.6 | 0 | 0 | 0 | 0 | 112 | M1614 K1615 L1616 H1620 N1621 A1622 | M1614-S1618 WeakPolarHBondContact O-CB 3.21Å; M1614-S1618 PolarHBondContact O-N 3.27Å; M1614-S1618 PolarHBondContact O-OG 3.24Å; K1615-S1618 CarbonylContact O-C 3.57Å; K1615-S1618 PolarHBondContact O-N 2.89Å; K1615-S1618 VanDerWaalsContact O-N 3.1Å; K1615-S1618 PolarHBondContact O-OG 3.28Å; L1616-S1618 PolarHBondContact O-N 3.05Å; S1618-H1620 VanDerWaalsContact C-N 3.26Å; S1618-H1620 PolarHBondContact O-N 3.46Å; S1618-N1621 PolarHBondContact O-N 2.82Å; S1618-A1622 VanDerWaalsContact O-CB 3.31Å; S1618-A1622 WeakPolarHBondContact O-CB 3.32Å; S1618-A1622 PolarHBondContact O-N 3.32Å |
| 1619 | M | 52.9 | Low | 61.7 | Low | 148 Ų | 148 | 120.9 Ų | 120.9 | 73% | 0.729 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -76 | -9.3 | 172.3 | -68.1 | -152.4 | 65.9 | 0 | 0 | 114.1 | K1615 L1616 | K1615-M1619 WeakPolarHBondContact O-CG 3.48Å; K1615-M1619 PolarHBondContact O-N 3.44Å; L1616-M1619 CarbonylContact O-C 3.45Å; L1616-M1619 PolarHBondContact O-N 3.04Å |
| 1620 | H | 44.7 | Very low | 61.6 | Low | 162 Ų | 162 | 121.7 Ų | 121.7 | 75% | 0.75 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -96.6 | -15.5 | 169.7 | -164.5 | -48.9 | 0 | 0 | 0 | 111.5 | L1616 R1617 S1618 | L1616-H1620 WeakPolarHBondContact O-CB 3.25Å; L1616-H1620 PolarHBondContact O-N 3.28Å; R1617-H1620 PolarHBondContact O-N 3.41Å; S1618-H1620 VanDerWaalsContact C-N 3.26Å; S1618-H1620 PolarHBondContact O-N 3.46Å |
| 1621 | N | 46.6 | Very low | 60.5 | Low | 131 Ų | 131 | 126.4 Ų | 126.4 | 70% | 0.701 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -102.4 | -11.6 | 178.5 | -74.7 | -7.8 | 0 | 0 | 0 | 113.3 | R1617 S1618 | R1617-N1621 WeakPolarHBondContact O-CB 3.36Å; R1617-N1621 PolarHBondContact O-N 2.94Å; R1617-N1621 VanDerWaalsContact O-N 3.1Å; R1617-N1621 PolarHBondContact O-ND2 3.1Å; S1618-N1621 PolarHBondContact O-N 2.82Å |
| 1622 | A | 44.8 | Very low | 58.5 | Low | 135 Ų | 135 | 130.5 Ų | 130.5 | 100% | 1.116 | 67% | 0.672 | S | S | * | * | trans | -114.8 | 0 | 176 | 0 | 0 | 0 | 0 | 0 | 109.4 | S1618 | S1618-A1622 VanDerWaalsContact O-CB 3.31Å; S1618-A1622 WeakPolarHBondContact O-CB 3.32Å; S1618-A1622 PolarHBondContact O-N 3.32Å |
Retrieved 1,622 of 1,622 residues in 344.8 ms
(Link to these results)