| 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 | 39.8 | Very low | 45.1 | Very low | 224 Ų | 224 | 119.2 Ų | 119.2 | 100% | 1.103 | 65% | 0.646 | S | S | * | * | 0 | 32.9 | 0 | -78.5 | 167.2 | 67.1 | 0 | 0 | 113.1 | |||||
| 2 | N | 43.4 | Very low | 44.9 | Very low | 147 Ų | 147 | 117.7 Ų | 117.7 | 79% | 0.786 | 64% | 0.636 | S | S | * | * | trans | -106.9 | 17.2 | -171 | -79.4 | 7.3 | 0 | 0 | 0 | 116 | ||||
| 3 | S | 46.9 | Very low | 44.7 | Very low | 100 Ų | 100 | 120.9 Ų | 120.9 | 70% | 0.699 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -105.7 | -18.1 | 178.4 | -169.1 | 0 | 0 | 0 | 0 | 114.2 | T6 | S3-T6 PolarHBondContact O-OG1 3.45Š|
| 4 | S | 47.7 | Very low | 44.7 | Very low | 96 Ų | 96 | 120.1 Ų | 120.1 | 67% | 0.671 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -81 | -25.1 | 176.9 | -73.8 | 0 | 0 | 0 | 0 | 114.3 | L8 | S4-L8 PolarHBondContact O-N 3.02Å; S4-L8 VanDerWaalsContact O-N 3.16Å |
| 5 | I | 50.9 | Low | 44.3 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 56% | 0.564 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.7 | -35.5 | -176.9 | -65.1 | 173 | 0 | 0 | 0 | 111.2 | L8 L9 | I5-L8 PolarHBondContact O-N 3.35Å; I5-L9 HydrophobicContact CG2-CD1 4.01Å; I5-L9 PolarHBondContact O-N 3.11Å; I5-L9 VanDerWaalsContact O-N 3.09Å |
| 6 | T | 47.6 | Very low | 43.9 | Very low | 78 Ų | 78 | 119.6 Ų | 119.6 | 48% | 0.479 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -67.7 | -40.1 | 175.5 | 40.5 | 0 | 0 | 0 | 0 | 111.8 | S3 L8 L9 Y10 | S3-T6 PolarHBondContact O-OG1 3.45Å; T6-L8 VanDerWaalsContact C-N 3.35Å; T6-L8 PolarHBondContact O-N 3.02Å; T6-L9 PolarHBondContact O-N 3.24Å; T6-Y10 WeakPolarHBondContact O-CD2 3.4Å; T6-Y10 PolarHBondContact O-N 3.07Å |
| 7 | C | 44.2 | Very low | 43.7 | Very low | 79 Ų | 79 | 122.2 Ų | 122.2 | 53% | 0.534 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.8 | -36.6 | 177.6 | -140.3 | 0 | 0 | 0 | 0 | 112.2 | Y10 L11 | C7-Y10 PolarHBondContact O-N 3.21Å; C7-L11 PolarHBondContact O-N 3.43Å |
| 8 | L | 42.2 | Very low | 43.4 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 59% | 0.586 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.7 | -35.7 | 176.2 | -136.4 | 84.7 | 0 | 0 | 0 | 112.4 | S4 I5 T6 L11 L12 | S4-L8 PolarHBondContact O-N 3.02Å; S4-L8 VanDerWaalsContact O-N 3.16Å; I5-L8 PolarHBondContact O-N 3.35Å; T6-L8 VanDerWaalsContact C-N 3.35Å; T6-L8 PolarHBondContact O-N 3.02Å; L8-L11 PolarHBondContact O-N 2.98Å; L8-L12 WeakPolarHBondContact O-CB 3.42Å; L8-L12 PolarHBondContact O-N 3.31Å |
| 9 | L | 44 | Very low | 43 | Very low | 91 Ų | 91 | 125.8 Ų | 125.8 | 48% | 0.476 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67.2 | -42.9 | 174.8 | -84.2 | 156.5 | 0 | 0 | 0 | 111.5 | I5 T6 L11 L12 F13 | I5-L9 HydrophobicContact CG2-CD1 4.01Å; I5-L9 PolarHBondContact O-N 3.11Å; I5-L9 VanDerWaalsContact O-N 3.09Å; T6-L9 PolarHBondContact O-N 3.24Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 2.93Å; L9-L12 PolarHBondContact O-N 2.95Å; L9-F13 HydrophobicContact CD2-CE2 4.48Å; L9-F13 VanDerWaalsContact O-CD2 3.28Å; L9-F13 WeakPolarHBondContact O-CD2 3.32Å; L9-F13 PolarHBondContact O-N 3.27Å |
| 10 | Y | 45.6 | Very low | 42.8 | Very low | 177 Ų | 177 | 121.4 Ų | 121.4 | 69% | 0.694 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.9 | -37.7 | 174.8 | -87.7 | -81.7 | 0 | 0 | 0 | 112.6 | T6 C7 F13 I14 | T6-Y10 WeakPolarHBondContact O-CD2 3.4Å; T6-Y10 PolarHBondContact O-N 3.07Å; C7-Y10 PolarHBondContact O-N 3.21Å; Y10-F13 PolarHBondContact O-N 3.1Å; Y10-I14 WeakPolarHBondContact O-CG1 3.29Å; Y10-I14 PolarHBondContact O-N 2.74Å |
| 11 | L | 43.6 | Very low | 42.7 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 51% | 0.508 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -68.6 | -37.6 | 174 | -87.8 | 151.9 | 0 | 0 | 0 | 112.6 | C7 L8 L9 I14 L15 | C7-L11 PolarHBondContact O-N 3.43Å; L8-L11 PolarHBondContact O-N 2.98Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 2.93Å; L11-I14 PolarHBondContact O-N 3.05Å; L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 PolarHBondContact O-N 3.46Å |
| 12 | L | 42.9 | Very low | 43 | Very low | 101 Ų | 101 | 116 Ų | 116 | 53% | 0.529 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.5 | -38.4 | 174.1 | -108.2 | 110.1 | 0 | 0 | 0 | 112.3 | L8 L9 I14 L15 V16 | L8-L12 WeakPolarHBondContact O-CB 3.42Å; L8-L12 PolarHBondContact O-N 3.31Å; L9-L12 PolarHBondContact O-N 2.95Å; L12-I14 PolarHBondContact O-N 2.98Å; L12-L15 PolarHBondContact O-N 3.41Å; L12-V16 WeakPolarHBondContact O-CG2 3.33Å; L12-V16 PolarHBondContact O-N 3.26Å |
| 13 | F | 42.6 | Very low | 43.7 | Very low | 160 Ų | 160 | 114 Ų | 114 | 70% | 0.702 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.6 | -26.4 | 175.2 | -91.5 | -78.5 | 0 | 0 | 0 | 112.7 | L9 Y10 | L9-F13 HydrophobicContact CD2-CE2 4.48Å; L9-F13 VanDerWaalsContact O-CD2 3.28Å; L9-F13 WeakPolarHBondContact O-CD2 3.32Å; L9-F13 PolarHBondContact O-N 3.27Å; Y10-F13 PolarHBondContact O-N 3.1Å |
| 14 | I | 44.9 | Very low | 45 | Very low | 110 Ų | 110 | 109.3 Ų | 109.3 | 56% | 0.564 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -82.6 | -31.7 | 173 | -64.2 | 167.3 | 0 | 0 | 0 | 111.6 | Y10 L11 L12 Y17 | Y10-I14 WeakPolarHBondContact O-CG1 3.29Å; Y10-I14 PolarHBondContact O-N 2.74Å; L11-I14 PolarHBondContact O-N 3.05Å; L12-I14 PolarHBondContact O-N 2.98Å; I14-Y17 WeakPolarHBondContact O-CD2 3.39Å; I14-Y17 PolarHBondContact O-N 3.3Å |
| 15 | L | 38.4 | Very low | 47.2 | Very low | 135 Ų | 135 | 105 Ų | 105 | 71% | 0.707 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -77.6 | -23.2 | 179.7 | -94.7 | 146.4 | 0 | 0 | 0 | 114.2 | L11 L12 Y17 | L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 PolarHBondContact O-N 3.46Å; L12-L15 PolarHBondContact O-N 3.41Å; L15-Y17 PolarHBondContact O-N 3.42Å |
| 16 | V | 37.3 | Very low | 49.4 | Very low | 97 Ų | 97 | 99.7 Ų | 99.7 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 23.2 | 171.1 | -166.9 | 0 | 0 | 0 | 0 | 111.4 | L12 Y18 | L12-V16 WeakPolarHBondContact O-CG2 3.33Å; L12-V16 PolarHBondContact O-N 3.26Å; V16-Y18 PolarHBondContact O-N 3.08Å |
| 17 | Y | 41.6 | Very low | 51.7 | Low | 163 Ų | 163 | 96 Ų | 96 | 64% | 0.639 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -62.3 | 95.3 | 149.3 | -95.9 | -89.2 | 0 | 0 | 0 | 106.9 | I14 L15 V19 | I14-Y17 WeakPolarHBondContact O-CD2 3.39Å; I14-Y17 PolarHBondContact O-N 3.3Å; L15-Y17 PolarHBondContact O-N 3.42Å; Y17-V19 PolarHBondContact O-N 2.9Å; Y17-V19 VanDerWaalsContact O-N 3.11Å |
| 18 | Y | 38 | Very low | 54.2 | Low | 194 Ų | 194 | 95.9 Ų | 95.9 | 76% | 0.761 | 46% | 0.46 | S | S | * | . | trans | -37.2 | 123.5 | 169 | -106 | -96.9 | 0 | 0 | 0 | 108.7 | V16 S20 | V16-Y18 PolarHBondContact O-N 3.08Å; Y18-S20 PolarHBondContact O-N 3.07Å | ||
| 19 | V | 35.4 | Very low | 56.7 | Low | 119 Ų | 119 | 91 Ų | 91 | 72% | 0.721 | 44% | 0.436 | S | S | * | . | trans | -73.5 | 58.8 | -177.3 | -172.1 | 0 | 0 | 0 | 0 | 108.3 | Y17 K21 K76 | Y17-V19 PolarHBondContact O-N 2.9Å; Y17-V19 VanDerWaalsContact O-N 3.11Å; V19-K21 PolarHBondContact O-N 2.76Å; V19-K76 VanDerWaalsContact C-NZ 3.34Å | ||
| 20 | S | 39.7 | Very low | 59.1 | Low | 37 Ų | 37 | 92.3 Ų | 92.3 | 26% | 0.259 | 44% | 0.435 | S | S | . | . | trans | -68.2 | 125.6 | 172.1 | -59.3 | 0 | 0 | 0 | 0 | 107.6 | Y18 C22 K76 | Y18-S20 PolarHBondContact O-N 3.07Å; S20-C22 PolarHBondContact O-N 2.67Å; S20-K76 VanDerWaalsContact O-CE 3.27Å; S20-K76 WeakPolarHBondContact O-CE 3.46Å; S20-K76 PolarHBondContact O-NZ 3.23Å | ||
| 21 | K | 41.1 | Very low | 61.4 | Low | 183 Ų | 183 | 88.2 Ų | 88.2 | 80% | 0.796 | 42% | 0.421 | S | S | * | . | trans | -70.2 | 77 | 171.5 | -73.7 | 175.7 | 175.1 | 175.4 | 0 | 107.6 | V19 Y23 | V19-K21 PolarHBondContact O-N 2.76Å; K21-Y23 PolarHBondContact O-N 3.29Å | ||
| 22 | C | 44.5 | Very low | 63.8 | Low | 51 Ų | 51 | 86.1 Ų | 86.1 | 35% | 0.345 | 41% | 0.408 | S | S | . | . | trans | -80.1 | 102.9 | -175.6 | -69.9 | 0 | 0 | 0 | 0 | 110.9 | S20 | S20-C22 PolarHBondContact O-N 2.67Š| ||
| 23 | Y | 58 | Low | 66.2 | Low | 103 Ų | 103 | 87 Ų | 87 | 40% | 0.404 | 41% | 0.409 | S | S | . | . | trans | -138.3 | 90.5 | 158.4 | -56.7 | -79.3 | 0 | 0 | 0 | 106.6 | K21 I25 K34 E155 | K21-Y23 PolarHBondContact O-N 3.29Å; Y23-I25 PolarHBondContact O-N 3.31Å; Y23-K34 HydrophobicContact CD1-CD 3.67Å; Y23-K34 VanDerWaalsContact CD1-NZ 3.34Å; Y23-K34 HydrophobicContact CD2-CD 4.32Å; Y23-K34 HydrophobicContact CE1-CD 3.61Å; Y23-K34 HydrophobicContact CE2-CD 4.25Å; Y23-K34 HydrophobicContact CG-CD 4.04Å; Y23-E155 WeakPolarHBondContact CD1-OE2 3.1Å; Y23-E155 WeakPolarHBondContact CE1-OE2 3.49Å | ||
| 24 | S | 75.2 | Confident | 68.5 | Low | 3 Ų | 3 | 83 Ų | 83 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | trans | -105.2 | 81.6 | -156.3 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | Y145 E501 | S24-Y145 PolarHBondContact N-OH 2.85Å; S24-Y145 PolarHBondContact OG-OH 3.07Å; S24-E501 WeakPolarHBondContact OG-CG 3.4Å | ||
| 25 | I | 93.5 | Very high | 70.6 | Confident | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.021 | 38% | 0.383 | C | S | . | . | trans | -93.9 | 126.9 | 161 | -46.4 | 173.7 | 0 | 0 | 0 | 107.5 | Y23 P27 K28 A29 T139 Q142 L143 I159 R498 | Y23-I25 PolarHBondContact O-N 3.31Å; I25-P27 CarbonylContact C-O 3.6Å; I25-P27 WeakPolarHBondContact CG2-O 3.07Å; I25-P27 CarbonylContact O-C 3.55Å; I25-K28 PolarHBondContact O-N 2.59Å; I25-A29 HydrophobicContact CD1-CB 4.03Å; I25-T139 HydrophobicContact CD1-CG2 3.93Å; I25-T139 HydrophobicContact CG2-CG2 4.43Å; I25-Q142 VanDerWaalsContact CA-OE1 3.24Å; I25-L143 HydrophobicContact CD1-CD2 4.12Å; I25-L143 HydrophobicContact CD1-CG 4.5Å; I25-L143 HydrophobicContact CG1-CD2 4.04Å; I25-L143 HydrophobicContact CG1-CG 4.43Å; I25-I159 HydrophobicContact CD1-CD1 3.58Å; I25-R498 WeakPolarHBondContact O-CD 3.39Å; I25-R498 PolarHBondContact O-NH1 2.88Å | ||
| 26 | V | 96.5 | Very high | 72.9 | Confident | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -122.9 | 120.5 | 167 | -175 | 0 | 0 | 0 | 0 | 108.1 | Q142 V194 F495 R498 L502 | V26-Q142 PolarHBondContact O-NE2 2.64Å; V26-Q142 PolarHBondContact O-OE1 2.88Å; V26-V194 HydrophobicContact CG1-CG1 4.5Å; V26-F495 HydrophobicContact CG1-CE2 4.05Å; V26-R498 HydrophobicContact CG2-CB 3.62Å; V26-L502 HydrophobicContact CB-CD1 4.4Å; V26-L502 HydrophobicContact CB-CD2 4.14Å; V26-L502 HydrophobicContact CG1-CD2 3.93Å; V26-L502 HydrophobicContact CG2-CB 4.23Å; V26-L502 HydrophobicContact CG2-CD2 4.49Å |
| 27 | P | 97.4 | Very high | 75.4 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 37% | 0.366 | C | S | . | . | S | Bend | cis | -65 | 157 | -7.7 | -28.3 | 39 | 0 | 0 | 0 | 114.6 | I25 A29 V194 A481 E482 W485 | I25-P27 CarbonylContact C-O 3.6Å; I25-P27 WeakPolarHBondContact CG2-O 3.07Å; I25-P27 CarbonylContact O-C 3.55Å; P27-A29 PolarHBondContact O-N 3.44Å; P27-V194 VanDerWaalsContact CD-O 3.26Å; P27-V194 WeakPolarHBondContact CD-O 3.42Å; P27-V194 WeakPolarHBondContact CG-O 3.22Å; P27-A481 HydrophobicContact CG-CB 4.33Å; P27-E482 WeakPolarHBondContact CA-OE2 3.42Å; P27-W485 HydrophobicContact CB-CB 3.49Å; P27-W485 VanDerWaalsContact CB-CB 3.49Å; P27-W485 VanDerWaalsContact CB-CD1 3.45Å; P27-W485 HydrophobicContact CB-CD2 4.36Å; P27-W485 HydrophobicContact CB-CG 3.46Å; P27-W485 VanDerWaalsContact CB-CG 3.46Å; P27-W485 HydrophobicContact CG-CB 3.65Å; P27-W485 HydrophobicContact CG-CD2 4.39Å; P27-W485 HydrophobicContact CG-CG 3.8Å |
| 28 | K | 95.5 | Very high | 77.7 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 33% | 0.33 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 128.9 | 176.3 | -174.3 | 175.7 | -169 | 152.7 | 0 | 110.8 | I25 E482 T486 D494 | I25-K28 PolarHBondContact O-N 2.59Å; K28-E482 WeakPolarHBondContact CB-OE1 3.28Å; K28-E482 PolarHBondContact N-OE1 3.24Å; K28-E482 PolarHBondContact N-OE2 3.34Å; K28-T486 HydrophobicContact CB-CG2 3.96Å; K28-T486 HydrophobicContact CD-CG2 4.37Å; K28-T486 HydrophobicContact CG-CG2 4.44Å; K28-T486 PolarHBondContact N-OG1 2.96Å; K28-T486 PolarHBondContact O-OG1 3.23Å; K28-T486 VanDerWaalsContact O-OG1 3.14Å; K28-D494 IonicContact NZ-OD1 3.7Å; K28-D494 PolarHBondContact NZ-OD1 2.9Å; K28-D494 IonicContact NZ-OD2 2.91Å; K28-D494 PolarHBondContact NZ-OD2 3.4Å |
| 29 | A | 94.9 | Very high | 80.3 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 8% | 0.083 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 143.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I25 P27 K31 H32 I159 D161 | I25-A29 HydrophobicContact CD1-CB 4.03Å; P27-A29 PolarHBondContact O-N 3.44Å; A29-K31 PolarHBondContact O-N 3.32Å; A29-H32 HydrophobicContact CB-CB 4.48Å; A29-I159 HydrophobicContact CB-CG2 3.78Å; A29-D161 VanDerWaalsContact CA-CG 3.47Å; A29-D161 WeakPolarHBondContact CA-OD1 3.19Å; A29-D161 WeakPolarHBondContact CA-OD2 3.13Å; A29-D161 HydrophobicContact CB-CB 4.15Å |
| 30 | Y | 94.2 | Very high | 83.1 | Confident | 118 Ų | 118 | 57.5 Ų | 57.5 | 46% | 0.463 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -54.6 | -47.9 | 177.3 | 173.8 | -112.4 | 0 | 0 | 0 | 113.1 | L160 D161 E487 | Y30-L160 WeakPolarHBondContact CB-O 3.42Å; Y30-D161 PolarHBondContact N-OD1 3.38Å; Y30-E487 WeakPolarHBondContact CE2-OE2 3.36Å |
| 31 | K | 94.7 | Very high | 85.7 | Confident | 91 Ų | 91 | 56 Ų | 56 | 40% | 0.396 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 132.9 | 170.1 | -69.6 | 177.2 | -179.8 | 176.1 | 0 | 110.3 | A29 I159 L160 | A29-K31 PolarHBondContact O-N 3.32Å; K31-I159 VanDerWaalsContact O-CA 3.26Å; K31-I159 WeakPolarHBondContact O-CA 3.35Å; K31-L160 HydrophobicContact CB-CB 4.24Å; K31-L160 HydrophobicContact CD-CD1 4.21Å; K31-L160 PolarHBondContact N-O 2.95Å; K31-L160 PolarHBondContact O-N 3.5Å |
| 32 | H | 93.9 | Very high | 88.2 | Confident | 54 Ų | 54 | 48.4 Ų | 48.4 | 25% | 0.25 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 104.1 | 177.3 | -175.1 | 176.7 | 0 | 0 | 0 | 110.1 | A29 K34 I159 | A29-H32 HydrophobicContact CB-CB 4.48Å; H32-K34 WeakPolarHBondContact CE1-CE 3.48Å; H32-K34 WeakPolarHBondContact NE2-CE 3.48Å; H32-I159 HydrophobicContact CB-CG1 4.12Å; H32-I159 VanDerWaalsContact CD2-CG1 3.5Å; H32-I159 WeakPolarHBondContact CD2-CG1 3.48Å |
| 33 | H | 93.8 | Very high | 90.2 | Very high | 119 Ų | 119 | 53.6 Ų | 53.6 | 55% | 0.551 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 125.3 | 174.3 | -63.6 | -77.5 | 0 | 0 | 0 | 110 | G157 I158 | H33-G157 CarbonylContact O-C 3.44Å; H33-G157 WeakPolarHBondContact O-CA 3.44Å; H33-I158 PolarHBondContact N-O 3.08Å; H33-I158 PolarHBondContact O-N 3.3Å |
| 34 | K | 90.1 | Very high | 91.8 | Very high | 75 Ų | 75 | 53.6 Ų | 53.6 | 33% | 0.326 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 144 | -179.6 | -70.9 | 168.1 | -175.6 | 140.6 | 0 | 111 | Y23 H32 E155 | Y23-K34 HydrophobicContact CD1-CD 3.67Å; Y23-K34 VanDerWaalsContact CD1-NZ 3.34Å; Y23-K34 HydrophobicContact CD2-CD 4.32Å; Y23-K34 HydrophobicContact CE1-CD 3.61Å; Y23-K34 HydrophobicContact CE2-CD 4.25Å; Y23-K34 HydrophobicContact CG-CD 4.04Å; H32-K34 WeakPolarHBondContact CE1-CE 3.48Å; H32-K34 WeakPolarHBondContact NE2-CE 3.48Å; K34-E155 WeakPolarHBondContact CB-OE1 3.13Å; K34-E155 VanDerWaalsContact CD-OE2 3.28Å; K34-E155 WeakPolarHBondContact CD-OE2 3.24Å |
| 35 | T | 89.7 | Confident | 92.8 | Very high | 63 Ų | 63 | 54.2 Ų | 54.2 | 39% | 0.387 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | -18.7 | 177.4 | 61.5 | 0 | 0 | 0 | 0 | 113 | I37 G156 | T35-I37 PolarHBondContact O-N 3.3Å; T35-I37 PolarHBondContact OG1-N 2.84Å; T35-G156 WeakPolarHBondContact CB-O 3.37Å; T35-G156 PolarHBondContact N-O 3.28Å; T35-G156 WeakPolarHBondContact OG1-CA 3.46Å; T35-G156 PolarHBondContact OG1-O 3.11Å |
| 36 | G | 86.8 | Confident | 93 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.4 | -0.3 | -168.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E155 | G36-E155 WeakPolarHBondContact CA-OE1 3.45Å; G36-E155 PolarHBondContact N-OE1 3.33Å; G36-E155 VanDerWaalsContact N-OE1 3.1Å |
| 37 | I | 89.1 | Confident | 93 | Very high | 85 Ų | 85 | 59.4 Ų | 59.4 | 44% | 0.436 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.5 | 179.2 | -58.8 | 173.8 | 0 | 0 | 0 | 108.4 | T35 Y39 G156 | T35-I37 PolarHBondContact O-N 3.3Å; T35-I37 PolarHBondContact OG1-N 2.84Å; I37-Y39 HydrophobicContact CB-CE2 4.47Å; I37-Y39 HydrophobicContact CG2-CE2 3.98Å; I37-G156 PolarHBondContact O-N 2.89Å |
| 38 | Y | 89.9 | Confident | 93 | Very high | 54 Ų | 54 | 62.9 Ų | 62.9 | 21% | 0.212 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 148.5 | 176.2 | -69.1 | -97.6 | 0 | 0 | 0 | 111.2 | P78 P82 I153 I154 E155 | Y38-P78 HydrophobicContact CD2-CB 4.29Å; Y38-P78 HydrophobicContact CG-CB 4.49Å; Y38-P82 WeakPolarHBondContact O-CB 3.46Å; Y38-I153 HydrophobicContact CD1-CD1 3.99Å; Y38-I153 HydrophobicContact CE1-CD1 4.5Å; Y38-I154 WeakPolarHBondContact CA-O 3.35Å; Y38-E155 HydrophobicContact CD1-CB 4.1Å; Y38-E155 HydrophobicContact CE1-CB 3.83Å; Y38-E155 HydrophobicContact CE1-CG 4.2Å; Y38-E155 HydrophobicContact CE2-CG 4.3Å |
| 39 | Y | 93.2 | Very high | 93.1 | Very high | 11 Ų | 11 | 62.3 Ų | 62.3 | 4% | 0.043 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 144.8 | 174.9 | -58.5 | -93.2 | 0 | 0 | 0 | 109 | I37 N84 I86 I153 I154 | I37-Y39 HydrophobicContact CB-CE2 4.47Å; I37-Y39 HydrophobicContact CG2-CE2 3.98Å; Y39-N84 CarbonylContact C-O 3.44Å; Y39-N84 WeakPolarHBondContact CA-O 3.36Å; Y39-N84 HydrophobicContact CD1-CB 3.77Å; Y39-N84 HydrophobicContact CE1-CB 4.12Å; Y39-I86 HydrophobicContact CD1-CD1 4.35Å; Y39-I86 HydrophobicContact CD1-CG1 4.15Å; Y39-I86 HydrophobicContact CD2-CD1 3.92Å; Y39-I86 HydrophobicContact CG-CD1 3.74Å; Y39-I86 HydrophobicContact CG-CG1 3.91Å; Y39-I153 CarbonylContact O-C 3.51Å; Y39-I153 VanDerWaalsContact O-CA 3.24Å; Y39-I153 WeakPolarHBondContact O-CA 3.16Å; Y39-I154 PolarHBondContact N-O 3.15Å; Y39-I154 PolarHBondContact O-N 2.96Å |
| 40 | N | 93.9 | Very high | 93.2 | Very high | 21 Ų | 21 | 66.4 Ų | 66.4 | 11% | 0.112 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 141.4 | 161 | -58.9 | -54.2 | 0 | 0 | 0 | 107.5 | P82 N84 T85 I86 N152 | N40-P82 PolarHBondContact ND2-O 3.47Å; N40-N84 PolarHBondContact N-O 3.38Å; N40-T85 HydrophobicContact CB-CG2 4.18Å; N40-T85 CarbonylContact O-C 3.6Å; N40-T85 VanDerWaalsContact O-CA 3.31Å; N40-T85 WeakPolarHBondContact O-CA 3.21Å; N40-I86 PolarHBondContact O-N 2.02Å; N40-N152 CarbonylContact C-O 3.59Å |
| 41 | F | 94.2 | Very high | 93.4 | Very high | 7 Ų | 7 | 62.3 Ų | 62.3 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 115.4 | 176.3 | -168.1 | -96.2 | 0 | 0 | 0 | 108.1 | L45 F64 L68 I86 I89 I123 I140 I144 N152 I154 | F41-L45 HydrophobicContact CE1-CD1 3.74Å; F41-L45 HydrophobicContact CE1-CD2 4.02Å; F41-L45 HydrophobicContact CE1-CG 4.37Å; F41-L45 HydrophobicContact CE2-CD2 4.29Å; F41-L45 HydrophobicContact CZ-CD1 3.72Å; F41-L45 HydrophobicContact CZ-CD2 3.84Å; F41-L45 HydrophobicContact CZ-CG 4.41Å; F41-F64 HydrophobicContact CE1-CE1 4.46Å; F41-F64 HydrophobicContact CE1-CZ 4.38Å; F41-F64 HydrophobicContact CZ-CE1 4.34Å; F41-F64 HydrophobicContact CZ-CZ 4.07Å; F41-L68 HydrophobicContact CD1-CD1 3.84Å; F41-L68 HydrophobicContact CD1-CD2 4.22Å; F41-L68 HydrophobicContact CE1-CD1 3.66Å; F41-L68 HydrophobicContact CE1-CD2 3.76Å; F41-L68 HydrophobicContact CE1-CG 4.39Å; F41-I86 HydrophobicContact CD2-CB 4.18Å; F41-I86 HydrophobicContact CD2-CG2 3.88Å; F41-I86 HydrophobicContact CE2-CG2 3.9Å; F41-I89 HydrophobicContact CZ-CD1 4.16Å; F41-I123 HydrophobicContact CD2-CD1 4.45Å; F41-I123 HydrophobicContact CE2-CD1 3.66Å; F41-I140 HydrophobicContact CE2-CG2 4.45Å; F41-I140 HydrophobicContact CZ-CG2 4.27Å; F41-I144 HydrophobicContact CD1-CD1 3.62Å; F41-I144 HydrophobicContact CD1-CG1 4.28Å; F41-I144 HydrophobicContact CD2-CD1 4.3Å; F41-I144 HydrophobicContact CE1-CD1 3.44Å; F41-I144 VanDerWaalsContact CE1-CD1 3.44Å; F41-I144 HydrophobicContact CE1-CG1 4.5Å; F41-I144 HydrophobicContact CE2-CD1 4.18Å; F41-I144 HydrophobicContact CG-CD1 4.03Å; F41-I144 HydrophobicContact CG-CG1 4.27Å; F41-I144 HydrophobicContact CZ-CD1 3.73Å; F41-N152 HydrophobicContact CB-CB 4.01Å; F41-N152 PolarHBondContact N-O 3.41Å; F41-N152 WeakPolarHBondContact O-CB 3.49Å; F41-I154 HydrophobicContact CB-CG2 4.25Å; F41-I154 HydrophobicContact CD2-CB 4.44Å; F41-I154 HydrophobicContact CD2-CG2 3.84Å; F41-I154 HydrophobicContact CG-CG2 4.46Å |
| 42 | A | 92.9 | Very high | 93.4 | Very high | 22 Ų | 22 | 64 Ų | 64 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 144.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S44 L45 T85 I86 N87 | A42-S44 WeakPolarHBondContact CB-O 3.4Å; A42-L45 HydrophobicContact CB-CD2 4.44Å; A42-T85 HydrophobicContact CB-CG2 3.98Å; A42-I86 WeakPolarHBondContact CB-O 3.45Å; A42-I86 PolarHBondContact N-O 3.34Å; A42-N87 HydrophobicContact CB-CB 3.81Å |
| 43 | E | 87.7 | Confident | 93.5 | Very high | 161 Ų | 161 | 63.9 Ų | 63.9 | 75% | 0.752 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.7 | -36.6 | 172.3 | -64.4 | 179.5 | 174.1 | 0 | 0 | 111.5 | ||
| 44 | S | 91.5 | Very high | 93.7 | Very high | 103 Ų | 103 | 58.2 Ų | 58.2 | 72% | 0.72 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119.1 | 172.3 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | A42 | A42-S44 WeakPolarHBondContact CB-O 3.4Å |
| 45 | L | 95.2 | Very high | 94 | Very high | 15 Ų | 15 | 60.7 Ų | 60.7 | 8% | 0.079 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 146.3 | -176.7 | -64.6 | 169.9 | 0 | 0 | 0 | 111.1 | F41 A42 Y47 F64 L68 I89 | F41-L45 HydrophobicContact CE1-CD1 3.74Å; F41-L45 HydrophobicContact CE1-CD2 4.02Å; F41-L45 HydrophobicContact CE1-CG 4.37Å; F41-L45 HydrophobicContact CE2-CD2 4.29Å; F41-L45 HydrophobicContact CZ-CD1 3.72Å; F41-L45 HydrophobicContact CZ-CD2 3.84Å; F41-L45 HydrophobicContact CZ-CG 4.41Å; A42-L45 HydrophobicContact CB-CD2 4.44Å; L45-Y47 HydrophobicContact CB-CE1 4.49Å; L45-Y47 HydrophobicContact CB-CE2 4.07Å; L45-Y47 HydrophobicContact CD1-CE1 4.46Å; L45-Y47 WeakPolarHBondContact CD1-OH 3.41Å; L45-F64 HydrophobicContact CD1-CD1 4.36Å; L45-F64 HydrophobicContact CD1-CE1 3.58Å; L45-L68 HydrophobicContact CD1-CD2 4.14Å; L45-I89 HydrophobicContact CD1-CD1 4.03Å |
| 46 | T | 97 | Very high | 94.5 | Very high | 73 Ų | 73 | 57.7 Ų | 57.7 | 45% | 0.448 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.2 | 166.4 | -58.5 | 0 | 0 | 0 | 0 | 109.3 | N87 I88 I89 | T46-N87 PolarHBondContact N-O 3.33Å; T46-I88 WeakPolarHBondContact O-CA 3.4Å; T46-I89 PolarHBondContact O-N 3.01Å |
| 47 | Y | 97.8 | Very high | 95 | Very high | 40 Ų | 40 | 55.4 Ų | 55.4 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 116.4 | 176.1 | -59.3 | -80.6 | 0 | 0 | 0 | 110.5 | L45 L61 F64 E65 I89 I91 | L45-Y47 HydrophobicContact CB-CE1 4.49Å; L45-Y47 HydrophobicContact CB-CE2 4.07Å; L45-Y47 HydrophobicContact CD1-CE1 4.46Å; L45-Y47 WeakPolarHBondContact CD1-OH 3.41Å; Y47-L61 HydrophobicContact CD1-CD1 4.01Å; Y47-L61 HydrophobicContact CD1-CD2 3.55Å; Y47-L61 HydrophobicContact CD1-CG 4.36Å; Y47-L61 HydrophobicContact CD2-CD1 4.17Å; Y47-L61 HydrophobicContact CE1-CD2 3.48Å; Y47-L61 VanDerWaalsContact CE1-CD2 3.48Å; Y47-L61 HydrophobicContact CE1-CG 4.46Å; Y47-L61 HydrophobicContact CG-CD1 3.8Å; Y47-L61 HydrophobicContact CG-CD2 4.19Å; Y47-F64 VanDerWaalsContact OH-CD1 3.29Å; Y47-F64 WeakPolarHBondContact OH-CD1 3.45Å; Y47-E65 HydrophobicContact CE2-CG 4.33Å; Y47-E65 WeakPolarHBondContact CE2-OE1 3.47Å; Y47-E65 WeakPolarHBondContact OH-CG 3.42Å; Y47-I89 WeakPolarHBondContact CA-O 3.18Å; Y47-I89 HydrophobicContact CD1-CB 3.97Å; Y47-I89 HydrophobicContact CE1-CB 4.22Å; Y47-I89 HydrophobicContact CE1-CD1 3.96Å; Y47-I89 HydrophobicContact CE1-CG1 4.37Å; Y47-I91 HydrophobicContact CD1-CD1 4.44Å |
| 48 | N | 97.7 | Very high | 95.5 | Very high | 74 Ų | 74 | 54.8 Ų | 54.8 | 40% | 0.396 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 100.3 | -179.7 | -76 | -13.2 | 0 | 0 | 0 | 110.3 | I88 I89 K90 I91 | N48-I88 HydrophobicContact CB-CG2 4.5Å; N48-I88 VanDerWaalsContact ND2-CG2 3.33Å; N48-I88 WeakPolarHBondContact ND2-CG2 3.47Å; N48-I89 PolarHBondContact N-O 2.99Å; N48-K90 HydrophobicContact CB-CB 4.29Å; N48-K90 HydrophobicContact CB-CG 4.34Å; N48-K90 WeakPolarHBondContact O-CA 3.44Å; N48-I91 PolarHBondContact O-N 3.25Å |
| 49 | H | 97.9 | Very high | 95.9 | Very high | 64 Ų | 64 | 53.6 Ų | 53.6 | 30% | 0.296 | 30% | 0.298 | S | S | . | . | trans | -155 | 170.8 | 172.5 | 65 | 88.6 | 0 | 0 | 0 | 111.6 | Y51 I91 | H49-Y51 HydrophobicContact CB-CD2 3.72Å; H49-Y51 HydrophobicContact CB-CE2 3.99Å; H49-Y51 AromaticContact ND1-CD2 3.96Å; H49-Y51 PolarHBondContact ND1-N 3.08Å; H49-I91 HydrophobicContact CB-CB 4.13Å | ||
| 50 | S | 96.7 | Very high | 96.1 | Very high | 95 Ų | 95 | 53.3 Ų | 53.3 | 66% | 0.664 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -110.3 | 1.1 | 178.6 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | T52 | S50-T52 VanDerWaalsContact C-N 3.33Å; S50-T52 PolarHBondContact O-N 3.24Å |
| 51 | Y | 97.5 | Very high | 96.3 | Very high | 33 Ų | 33 | 53 Ų | 53 | 13% | 0.129 | 30% | 0.295 | C | S | . | . | trans | -82.1 | 65.3 | -174.9 | -42.9 | -67.5 | 0 | 0 | 0 | 113.1 | H49 S53 C54 L57 I93 | H49-Y51 HydrophobicContact CB-CD2 3.72Å; H49-Y51 HydrophobicContact CB-CE2 3.99Å; H49-Y51 AromaticContact ND1-CD2 3.96Å; H49-Y51 PolarHBondContact ND1-N 3.08Å; Y51-S53 VanDerWaalsContact C-N 3.28Å; Y51-S53 PolarHBondContact O-N 3.39Å; Y51-C54 PolarHBondContact O-N 3.48Å; Y51-L57 HydrophobicContact CD2-CD2 3.94Å; Y51-L57 HydrophobicContact CG-CD2 4.46Å; Y51-I93 HydrophobicContact CD2-CD1 3.9Å; Y51-I93 HydrophobicContact CD2-CG1 4.31Å; Y51-I93 HydrophobicContact CE1-CB 4.23Å; Y51-I93 HydrophobicContact CE2-CB 4.05Å; Y51-I93 HydrophobicContact CE2-CD1 3.97Å; Y51-I93 HydrophobicContact CE2-CG1 3.86Å; Y51-I93 HydrophobicContact CG-CD1 4.3Å; Y51-I93 PolarHBondContact OH-N 3.35Å; Y51-I93 PolarHBondContact OH-O 3.26Å | ||
| 52 | T | 94.4 | Very high | 96.5 | Very high | 125 Ų | 125 | 58.6 Ų | 58.6 | 77% | 0.767 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -23.2 | -176.6 | 50.6 | 0 | 0 | 0 | 0 | 113.9 | S50 | S50-T52 VanDerWaalsContact C-N 3.33Å; S50-T52 PolarHBondContact O-N 3.24Å |
| 53 | S | 96.7 | Very high | 96.7 | Very high | 53 Ų | 53 | 58.4 Ų | 58.4 | 37% | 0.371 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 16.8 | -179.9 | -45.8 | 0 | 0 | 0 | 0 | 112.6 | Y51 D98 E99 | Y51-S53 VanDerWaalsContact C-N 3.28Å; Y51-S53 PolarHBondContact O-N 3.39Å; S53-D98 WeakPolarHBondContact CB-OD1 3.24Å; S53-E99 WeakPolarHBondContact O-CB 3.1Å; S53-E99 PolarHBondContact O-N 3.18Å |
| 54 | C | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | trans | -97.5 | 97.1 | 176.7 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | Y51 L57 T58 C97 | Y51-C54 PolarHBondContact O-N 3.48Å; C54-L57 HydrophobicContact CB-CB 3.94Å; C54-L57 PolarHBondContact O-N 3.12Å; C54-L57 WeakPolarHBondContact SG-CB 3.41Å; C54-T58 PolarHBondContact O-N 2.99Å; C54-T58 PolarHBondContact O-OG1 3.22Å; C54-C97 HydrophobicContact CB-CB 3.67Å; C54-C97 WeakPolarHBondContact CB-SG 3.36Å; C54-C97 WeakPolarHBondContact SG-CB 3.43Å; C54-C97 CovalentContact SG-SG 2.03Å; C54-C97 PolarHBondContact SG-SG 3.4Å | ||
| 55 | Y | 97.1 | Very high | 97.5 | Very high | 127 Ų | 127 | 50.2 Ų | 50.2 | 50% | 0.498 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -69.3 | -36.8 | -177.4 | -175.5 | -112.1 | 0 | 0 | 0 | 111.4 | L57 T58 D59 E99 L246 | Y55-L57 VanDerWaalsContact C-N 3.31Å; Y55-L57 PolarHBondContact O-N 3.44Å; Y55-T58 PolarHBondContact O-N 3.15Å; Y55-D59 WeakPolarHBondContact O-CB 3.49Å; Y55-D59 PolarHBondContact O-N 3.17Å; Y55-E99 WeakPolarHBondContact CA-OE2 3.32Å; Y55-E99 WeakPolarHBondContact CB-OE2 3.42Å; Y55-E99 PolarHBondContact N-OE2 3.2Å; Y55-L246 HydrophobicContact CD1-CD2 3.53Å; Y55-L246 HydrophobicContact CE1-CD1 3.88Å; Y55-L246 HydrophobicContact CE1-CD2 3.73Å; Y55-L246 HydrophobicContact CE1-CG 4.44Å |
| 56 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.3 | -46.9 | 171.9 | -63.9 | 158.6 | 0 | 0 | 0 | 111.3 | A60 E99 L104 I130 W131 L134 L246 | I56-A60 VanDerWaalsContact O-CB 3.24Å; I56-A60 WeakPolarHBondContact O-CB 3.43Å; I56-A60 PolarHBondContact O-N 3.43Å; I56-E99 WeakPolarHBondContact CG1-OE2 3.41Å; I56-E99 PolarHBondContact N-OE2 2.87Å; I56-L104 HydrophobicContact CD1-CB 3.97Å; I56-L104 HydrophobicContact CD1-CD2 4.2Å; I56-L104 HydrophobicContact CD1-CG 4.27Å; I56-I130 HydrophobicContact CB-CG1 4.15Å; I56-I130 HydrophobicContact CD1-CG2 4.31Å; I56-I130 HydrophobicContact CG2-CD1 4.41Å; I56-I130 HydrophobicContact CG2-CG1 3.59Å; I56-W131 HydrophobicContact CD1-CH2 3.71Å; I56-W131 HydrophobicContact CD1-CZ3 3.94Å; I56-W131 HydrophobicContact CG2-CZ3 4.44Å; I56-L134 HydrophobicContact CG2-CD1 4.09Å; I56-L134 HydrophobicContact CG2-CD2 4.01Å; I56-L134 HydrophobicContact CG2-CG 4.46Å; I56-L246 HydrophobicContact CB-CD2 4.48Å; I56-L246 HydrophobicContact CG1-CD2 3.98Å |
| 57 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.7 | -43.6 | 178.9 | -179.1 | 59.7 | 0 | 0 | 0 | 111 | Y51 C54 Y55 D59 A60 L61 I91 I130 I133 | Y51-L57 HydrophobicContact CD2-CD2 3.94Å; Y51-L57 HydrophobicContact CG-CD2 4.46Å; C54-L57 HydrophobicContact CB-CB 3.94Å; C54-L57 PolarHBondContact O-N 3.12Å; C54-L57 WeakPolarHBondContact SG-CB 3.41Å; Y55-L57 VanDerWaalsContact C-N 3.31Å; Y55-L57 PolarHBondContact O-N 3.44Å; L57-D59 PolarHBondContact O-N 2.99Å; L57-A60 PolarHBondContact O-N 3.38Å; L57-L61 HydrophobicContact CD1-CD1 4.34Å; L57-L61 HydrophobicContact CD1-CD2 4.27Å; L57-L61 HydrophobicContact CD1-CG 4.04Å; L57-L61 HydrophobicContact CG-CD1 4.22Å; L57-L61 HydrophobicContact CG-CG 4.3Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.13Å; L57-L61 PolarHBondContact O-N 3.02Å; L57-I91 HydrophobicContact CD1-CD1 4Å; L57-I91 HydrophobicContact CD1-CG2 4.49Å; L57-I91 HydrophobicContact CD2-CG2 4.45Å; L57-I130 HydrophobicContact CB-CD1 3.82Å; L57-I130 HydrophobicContact CD1-CD1 4.1Å; L57-I130 HydrophobicContact CG-CD1 4.46Å; L57-I133 HydrophobicContact CD1-CG2 4.04Å |
| 58 | T | 98.1 | Very high | 97.2 | Very high | 73 Ų | 73 | 50.3 Ų | 50.3 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.1 | -47.9 | 179.7 | -56.8 | 0 | 0 | 0 | 0 | 111.3 | C54 Y55 L61 K62 | C54-T58 PolarHBondContact O-N 2.99Å; C54-T58 PolarHBondContact O-OG1 3.22Å; Y55-T58 PolarHBondContact O-N 3.15Å; T58-L61 PolarHBondContact O-N 3.43Å; T58-K62 PolarHBondContact O-N 2.73Å; T58-K62 VanDerWaalsContact O-N 3.16Å |
| 59 | D | 98.4 | Very high | 97 | Very high | 29 Ų | 29 | 51.7 Ų | 51.7 | 16% | 0.155 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 174 | 175 | 82.5 | 0 | 0 | 0 | 111.9 | Y55 L57 L61 K62 R63 L246 | Y55-D59 WeakPolarHBondContact O-CB 3.49Å; Y55-D59 PolarHBondContact O-N 3.17Å; L57-D59 PolarHBondContact O-N 2.99Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 2.65Å; D59-K62 PolarHBondContact O-N 3.48Å; D59-R63 WeakPolarHBondContact O-CG 3.48Å; D59-R63 PolarHBondContact O-N 3.46Å; D59-R63 IonicContact OD2-CZ 3.53Å; D59-R63 IonicContact OD2-NE 2.95Å; D59-R63 PolarHBondContact OD2-NE 3.32Å; D59-R63 IonicContact OD2-NH2 3.79Å; D59-R63 PolarHBondContact OD2-NH2 3.11Å; D59-L246 HydrophobicContact CB-CD1 4.38Å; D59-L246 HydrophobicContact CB-CD2 4.33Å |
| 60 | A | 98.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.6 | -38.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I56 L57 F64 L134 L137 | I56-A60 VanDerWaalsContact O-CB 3.24Å; I56-A60 WeakPolarHBondContact O-CB 3.43Å; I56-A60 PolarHBondContact O-N 3.43Å; L57-A60 PolarHBondContact O-N 3.38Å; A60-F64 VanDerWaalsContact O-CB 3.29Å; A60-F64 WeakPolarHBondContact O-CB 3.43Å; A60-F64 PolarHBondContact O-N 3.02Å; A60-L134 HydrophobicContact CB-CD2 3.37Å; A60-L137 HydrophobicContact CB-CD1 3.99Å |
| 61 | L | 98.5 | Very high | 96.5 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 8% | 0.079 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.4 | -43.1 | 176.5 | -67.9 | -175.6 | 0 | 0 | 0 | 111.6 | Y47 L57 T58 D59 R63 F64 E65 I91 L137 | Y47-L61 HydrophobicContact CD1-CD1 4.01Å; Y47-L61 HydrophobicContact CD1-CD2 3.55Å; Y47-L61 HydrophobicContact CD1-CG 4.36Å; Y47-L61 HydrophobicContact CD2-CD1 4.17Å; Y47-L61 HydrophobicContact CE1-CD2 3.48Å; Y47-L61 VanDerWaalsContact CE1-CD2 3.48Å; Y47-L61 HydrophobicContact CE1-CG 4.46Å; Y47-L61 HydrophobicContact CG-CD1 3.8Å; Y47-L61 HydrophobicContact CG-CD2 4.19Å; L57-L61 HydrophobicContact CD1-CD1 4.34Å; L57-L61 HydrophobicContact CD1-CD2 4.27Å; L57-L61 HydrophobicContact CD1-CG 4.04Å; L57-L61 HydrophobicContact CG-CD1 4.22Å; L57-L61 HydrophobicContact CG-CG 4.3Å; L57-L61 VanDerWaalsContact O-CG 3.3Å; L57-L61 WeakPolarHBondContact O-CG 3.13Å; L57-L61 PolarHBondContact O-N 3.02Å; T58-L61 PolarHBondContact O-N 3.43Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 2.65Å; L61-R63 PolarHBondContact O-N 2.99Å; L61-F64 WeakPolarHBondContact O-CB 3.29Å; L61-F64 PolarHBondContact O-N 3.23Å; L61-F64 VanDerWaalsContact O-N 3.16Å; L61-E65 WeakPolarHBondContact O-CG 3.38Å; L61-E65 PolarHBondContact O-N 2.75Å; L61-I91 HydrophobicContact CD2-CD1 3.85Å; L61-L137 HydrophobicContact CD2-CD1 4.13Å; L61-L137 HydrophobicContact CD2-CD2 4.26Å |
| 62 | K | 97.8 | Very high | 95.9 | Very high | 124 Ų | 124 | 48.9 Ų | 48.9 | 54% | 0.539 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.1 | -49.1 | 173.9 | -177.9 | -175.3 | 174.1 | -168.8 | 0 | 111.4 | T58 D59 F64 E65 E66 | T58-K62 PolarHBondContact O-N 2.73Å; T58-K62 VanDerWaalsContact O-N 3.16Å; D59-K62 PolarHBondContact O-N 3.48Å; K62-F64 VanDerWaalsContact C-N 3.28Å; K62-F64 PolarHBondContact O-N 2.95Å; K62-E65 PolarHBondContact O-N 2.95Å; K62-E66 WeakPolarHBondContact CE-OE1 3.4Å; K62-E66 WeakPolarHBondContact O-CG 3.18Å; K62-E66 PolarHBondContact O-N 3.33Å |
| 63 | R | 97.4 | Very high | 95.3 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 7% | 0.068 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.7 | -36.8 | 176.1 | -72.2 | -171.9 | -67.6 | 119.1 | -2.5 | 112.4 | D59 L61 R67 L246 R247 | D59-R63 WeakPolarHBondContact O-CG 3.48Å; D59-R63 PolarHBondContact O-N 3.46Å; D59-R63 IonicContact OD2-CZ 3.53Å; D59-R63 IonicContact OD2-NE 2.95Å; D59-R63 PolarHBondContact OD2-NE 3.32Å; D59-R63 IonicContact OD2-NH2 3.79Å; D59-R63 PolarHBondContact OD2-NH2 3.11Å; L61-R63 PolarHBondContact O-N 2.99Å; R63-R67 VanDerWaalsContact O-CB 3.29Å; R63-R67 WeakPolarHBondContact O-CB 3.09Å; R63-R67 WeakPolarHBondContact O-CD 3.37Å; R63-R67 WeakPolarHBondContact O-CG 3.49Å; R63-R67 PolarHBondContact O-N 3.17Å; R63-L246 PolarHBondContact NH2-O 2.92Å; R63-R247 VanDerWaalsContact CD-NH2 3.32Å |
| 64 | F | 97.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -46.7 | 176.7 | 177.2 | -84.6 | 0 | 0 | 0 | 111.3 | F41 L45 Y47 A60 L61 K62 R67 L68 I89 L137 I140 L141 | F41-F64 HydrophobicContact CE1-CE1 4.46Å; F41-F64 HydrophobicContact CE1-CZ 4.38Å; F41-F64 HydrophobicContact CZ-CE1 4.34Å; F41-F64 HydrophobicContact CZ-CZ 4.07Å; L45-F64 HydrophobicContact CD1-CD1 4.36Å; L45-F64 HydrophobicContact CD1-CE1 3.58Å; Y47-F64 VanDerWaalsContact OH-CD1 3.29Å; Y47-F64 WeakPolarHBondContact OH-CD1 3.45Å; A60-F64 VanDerWaalsContact O-CB 3.29Å; A60-F64 WeakPolarHBondContact O-CB 3.43Å; A60-F64 PolarHBondContact O-N 3.02Å; L61-F64 WeakPolarHBondContact O-CB 3.29Å; L61-F64 PolarHBondContact O-N 3.23Å; L61-F64 VanDerWaalsContact O-N 3.16Å; K62-F64 VanDerWaalsContact C-N 3.28Å; K62-F64 PolarHBondContact O-N 2.95Å; F64-R67 PolarHBondContact O-N 2.85Å; F64-L68 WeakPolarHBondContact O-CB 3.26Å; F64-L68 PolarHBondContact O-N 3.14Å; F64-I89 HydrophobicContact CE1-CD1 4.12Å; F64-I89 HydrophobicContact CZ-CD1 4.09Å; F64-L137 HydrophobicContact CD2-CB 3.95Å; F64-L137 HydrophobicContact CD2-CD2 3.86Å; F64-L137 HydrophobicContact CD2-CG 4.45Å; F64-L137 HydrophobicContact CE2-CD2 4.22Å; F64-L137 WeakPolarHBondContact CE2-O 3.49Å; F64-L137 HydrophobicContact CG-CD2 4.23Å; F64-I140 HydrophobicContact CE2-CB 3.93Å; F64-I140 HydrophobicContact CE2-CG2 3.73Å; F64-I140 HydrophobicContact CZ-CB 4.36Å; F64-I140 HydrophobicContact CZ-CG2 3.65Å; F64-L141 HydrophobicContact CD2-CD1 4.04Å; F64-L141 HydrophobicContact CD2-CD2 3.88Å; F64-L141 HydrophobicContact CD2-CG 3.67Å; F64-L141 HydrophobicContact CE2-CD1 4.49Å; F64-L141 HydrophobicContact CE2-CD2 3.76Å; F64-L141 HydrophobicContact CE2-CG 3.64Å; F64-L141 HydrophobicContact CG-CD2 4.48Å; F64-L141 HydrophobicContact CZ-CD2 4.25Å |
| 65 | E | 97.1 | Very high | 92.6 | Very high | 88 Ų | 88 | 46.9 Ų | 46.9 | 41% | 0.411 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.6 | -46.2 | 176.2 | -68.9 | 179.9 | 153.8 | 0 | 0 | 111.6 | Y47 L61 K62 R67 L68 T69 | Y47-E65 HydrophobicContact CE2-CG 4.33Å; Y47-E65 WeakPolarHBondContact CE2-OE1 3.47Å; Y47-E65 WeakPolarHBondContact OH-CG 3.42Å; L61-E65 WeakPolarHBondContact O-CG 3.38Å; L61-E65 PolarHBondContact O-N 2.75Å; K62-E65 PolarHBondContact O-N 2.95Å; E65-R67 PolarHBondContact O-N 3.23Å; E65-L68 WeakPolarHBondContact O-CB 3.39Å; E65-L68 PolarHBondContact O-N 2.97Å; E65-T69 PolarHBondContact O-N 2.82Å |
| 66 | E | 96 | Very high | 90.8 | Very high | 98 Ų | 98 | 45.6 Ų | 45.6 | 46% | 0.458 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.2 | -49.2 | 175.4 | -71.2 | 170.2 | 179.3 | 0 | 0 | 111 | K62 L68 T69 | K62-E66 WeakPolarHBondContact CE-OE1 3.4Å; K62-E66 WeakPolarHBondContact O-CG 3.18Å; K62-E66 PolarHBondContact O-N 3.33Å; E66-L68 VanDerWaalsContact C-N 3.3Å; E66-L68 PolarHBondContact O-N 3.45Å; E66-T69 PolarHBondContact O-N 3.47Å; E66-T69 PolarHBondContact O-OG1 3.44Å |
| 67 | R | 94.9 | Very high | 88.7 | Confident | 25 Ų | 25 | 52 Ų | 52 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.5 | -28.8 | 179.5 | -70.1 | 166.9 | -175.5 | -168 | 4 | 113.3 | R63 F64 E65 T69 L70 E138 L141 D189 | R63-R67 VanDerWaalsContact O-CB 3.29Å; R63-R67 WeakPolarHBondContact O-CB 3.09Å; R63-R67 WeakPolarHBondContact O-CD 3.37Å; R63-R67 WeakPolarHBondContact O-CG 3.49Å; R63-R67 PolarHBondContact O-N 3.17Å; F64-R67 PolarHBondContact O-N 2.85Å; E65-R67 PolarHBondContact O-N 3.23Å; R67-T69 VanDerWaalsContact C-N 3.28Å; R67-T69 PolarHBondContact O-N 2.96Å; R67-L70 PolarHBondContact O-N 3.31Å; R67-L70 VanDerWaalsContact O-N 3.16Å; R67-E138 IonicContact NH1-OE2 2.82Å; R67-E138 PolarHBondContact NH1-OE2 2.94Å; R67-L141 HydrophobicContact CB-CD1 3.68Å; R67-L141 HydrophobicContact CB-CD2 4.01Å; R67-L141 HydrophobicContact CG-CD1 4.31Å; R67-D189 IonicContact NH2-OD1 3.24Å; R67-D189 PolarHBondContact NH2-OD1 3.13Å |
| 68 | L | 94.3 | Very high | 87 | Confident | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.037 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.1 | -38 | 175.6 | -176.4 | 64.3 | 0 | 0 | 0 | 111.1 | F41 L45 F64 E65 E66 L70 I71 L141 I144 | F41-L68 HydrophobicContact CD1-CD1 3.84Å; F41-L68 HydrophobicContact CD1-CD2 4.22Å; F41-L68 HydrophobicContact CE1-CD1 3.66Å; F41-L68 HydrophobicContact CE1-CD2 3.76Å; F41-L68 HydrophobicContact CE1-CG 4.39Å; L45-L68 HydrophobicContact CD1-CD2 4.14Å; F64-L68 WeakPolarHBondContact O-CB 3.26Å; F64-L68 PolarHBondContact O-N 3.14Å; E65-L68 WeakPolarHBondContact O-CB 3.39Å; E65-L68 PolarHBondContact O-N 2.97Å; E66-L68 VanDerWaalsContact C-N 3.3Å; E66-L68 PolarHBondContact O-N 3.45Å; L68-L70 PolarHBondContact O-N 2.79Å; L68-I71 HydrophobicContact CD1-CD1 3.89Å; L68-I71 PolarHBondContact O-N 3.42Å; L68-L141 HydrophobicContact CB-CD2 4.46Å; L68-I144 HydrophobicContact CD1-CD1 3.68Å; L68-I144 HydrophobicContact CD1-CG2 4.32Å |
| 69 | T | 93.3 | Very high | 85.3 | Confident | 103 Ų | 103 | 56.6 Ų | 56.6 | 63% | 0.632 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67.8 | -20.6 | 177 | 72.6 | 0 | 0 | 0 | 0 | 113.4 | E65 E66 R67 | E65-T69 PolarHBondContact O-N 2.82Å; E66-T69 PolarHBondContact O-N 3.47Å; E66-T69 PolarHBondContact O-OG1 3.44Å; R67-T69 VanDerWaalsContact C-N 3.28Å; R67-T69 PolarHBondContact O-N 2.96Å |
| 70 | L | 92.8 | Very high | 84 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 34% | 0.335 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -4.2 | -178.1 | -58.1 | 175.6 | 0 | 0 | 0 | 113.2 | R67 L68 K72 S508 R509 | R67-L70 PolarHBondContact O-N 3.31Å; R67-L70 VanDerWaalsContact O-N 3.16Å; L68-L70 PolarHBondContact O-N 2.79Å; L70-K72 PolarHBondContact O-N 2.95Å; L70-S508 VanDerWaalsContact O-CB 3.25Å; L70-S508 WeakPolarHBondContact O-CB 3.31Å; L70-R509 HydrophobicContact CD1-CG 4.22Å |
| 71 | I | 90.1 | Very high | 82.9 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | trans | -67 | 124.1 | 177.2 | -61.2 | -174.2 | 0 | 0 | 0 | 108.8 | L68 L141 I144 R146 | L68-I71 HydrophobicContact CD1-CD1 3.89Å; L68-I71 PolarHBondContact O-N 3.42Å; I71-L141 HydrophobicContact CD1-CD2 4.37Å; I71-I144 HydrophobicContact CD1-CB 3.55Å; I71-I144 HydrophobicContact CD1-CD1 4.36Å; I71-I144 HydrophobicContact CD1-CG2 3.47Å; I71-I144 VanDerWaalsContact CD1-CG2 3.47Å; I71-I144 HydrophobicContact CG2-CG2 4.4Å; I71-R146 PolarHBondContact O-NE 3.4Å; I71-R146 PolarHBondContact O-NH2 3.38Å | ||
| 72 | K | 85.3 | Confident | 82.1 | Confident | 65 Ų | 65 | 63 Ų | 63 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | trans | -129.4 | 7.5 | 178.3 | -65.2 | 179.1 | -178.9 | 177 | 0 | 112.3 | L70 P523 L524 | L70-K72 PolarHBondContact O-N 2.95Å; K72-P523 WeakPolarHBondContact O-CG 3.34Å; K72-L524 WeakPolarHBondContact CD-OXT 3.31Å; K72-L524 WeakPolarHBondContact CE-OXT 3.34Å; K72-L524 PolarHBondContact NZ-OXT 2.89Å | ||
| 73 | Q | 81.2 | Confident | 81.4 | Confident | 3 Ų | 3 | 64.4 Ų | 64.4 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | trans | -86 | 125.4 | -169.3 | -69.4 | 66.6 | 46.7 | 0 | 0 | 109.6 | Y145 R146 E501 R505 S508 | Q73-Y145 HydrophobicContact CB-CD1 3.94Å; Q73-Y145 HydrophobicContact CB-CE1 4.47Å; Q73-Y145 CarbonylContact O-C 3.49Å; Q73-Y145 VanDerWaalsContact O-CA 3.29Å; Q73-Y145 WeakPolarHBondContact O-CA 3.21Å; Q73-Y145 WeakPolarHBondContact O-CB 3.18Å; Q73-R146 PolarHBondContact O-N 3.16Å; Q73-E501 WeakPolarHBondContact CB-OE1 3.24Å; Q73-E501 WeakPolarHBondContact CG-OE1 3.49Å; Q73-R505 HydrophobicContact CG-CG 3.85Å; Q73-S508 PolarHBondContact NE2-OG 2.96Å | ||
| 74 | Y | 72.1 | Confident | 81.2 | Confident | 107 Ų | 107 | 67.3 Ų | 67.3 | 42% | 0.42 | 35% | 0.353 | S | S | . | . | trans | -90.7 | 135.4 | 174.2 | -59.6 | -88.5 | 0 | 0 | 0 | 109.5 | R146 E150 P523 | Y74-R146 HydrophobicContact CD1-CB 4.13Å; Y74-R146 WeakPolarHBondContact CD1-O 3.38Å; Y74-R146 HydrophobicContact CE1-CB 4.17Å; Y74-E150 VanDerWaalsContact CE1-OE1 3.32Å; Y74-E150 WeakPolarHBondContact CE1-OE1 3.23Å; Y74-E150 VanDerWaalsContact CZ-OE1 3.31Å; Y74-E150 VanDerWaalsContact OH-CD 3.29Å; Y74-E150 PolarHBondContact OH-OE1 3.25Å; Y74-E150 PolarHBondContact OH-OE2 3.24Å; Y74-P523 HydrophobicContact CD2-CB 4.29Å; Y74-P523 HydrophobicContact CD2-CG 4.25Å; Y74-P523 HydrophobicContact CE2-CB 4.07Å; Y74-P523 HydrophobicContact CE2-CG 4.48Å | ||
| 75 | P | 66 | Low | 81 | Confident | 26 Ų | 26 | 69.7 Ų | 69.7 | 17% | 0.169 | 37% | 0.368 | C | S | . | . | trans | -76.9 | 179.6 | 174 | 34.1 | -28.7 | 0 | 0 | 0 | 109.3 | I77 Y145 R146 I153 | P75-I77 PolarHBondContact O-N 3.28Å; P75-Y145 HydrophobicContact CB-CD1 4.17Å; P75-Y145 HydrophobicContact CB-CD2 4.26Å; P75-Y145 HydrophobicContact CB-CG 3.82Å; P75-Y145 HydrophobicContact CG-CG 4.41Å; P75-R146 WeakPolarHBondContact CD-O 3.39Å; P75-I153 HydrophobicContact CG-CD1 3.86Å; P75-I153 HydrophobicContact CG-CG1 4.44Å | ||
| 76 | K | 59 | Low | 81 | Confident | 100 Ų | 100 | 65.5 Ų | 65.5 | 44% | 0.435 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -59.4 | 136.2 | 150 | -93.8 | 179.4 | 171.1 | 166.6 | 0 | 108.9 | V19 S20 P78 | V19-K76 VanDerWaalsContact C-NZ 3.34Å; S20-K76 VanDerWaalsContact O-CE 3.27Å; S20-K76 WeakPolarHBondContact O-CE 3.46Å; S20-K76 PolarHBondContact O-NZ 3.23Å; K76-P78 WeakPolarHBondContact O-CD 3.37Å; K76-P78 VanDerWaalsContact O-N 3.15Å |
| 77 | I | 55.3 | Low | 81 | Confident | 135 Ų | 135 | 64.1 Ų | 64.1 | 69% | 0.692 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -51.4 | 118.4 | -179.4 | -57 | 170.4 | 0 | 0 | 0 | 109.2 | P75 | P75-I77 PolarHBondContact O-N 3.28Š|
| 78 | P | 62.3 | Low | 81.1 | Confident | 15 Ų | 15 | 65.3 Ų | 65.3 | 10% | 0.097 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 142 | 170.8 | -23.6 | 33.3 | 0 | 0 | 0 | 110.1 | Y38 K76 S80 I153 | Y38-P78 HydrophobicContact CD2-CB 4.29Å; Y38-P78 HydrophobicContact CG-CB 4.49Å; K76-P78 WeakPolarHBondContact O-CD 3.37Å; K76-P78 VanDerWaalsContact O-N 3.15Å; P78-S80 VanDerWaalsContact CB-O 3.3Å; P78-S80 WeakPolarHBondContact CB-O 3.41Å; P78-S80 PolarHBondContact O-N 3.49Å; P78-S80 VanDerWaalsContact O-N 3.14Å; P78-I153 HydrophobicContact CG-CD1 3.51Å |
| 79 | T | 63.9 | Low | 81.3 | Confident | 154 Ų | 154 | 65 Ų | 65 | 95% | 0.945 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -62.7 | -19.5 | 175.2 | 45.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 80 | S | 71.2 | Confident | 81.6 | Confident | 82 Ų | 82 | 64.8 Ų | 64.8 | 57% | 0.573 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -148.3 | 145.9 | 175.5 | 56.8 | 0 | 0 | 0 | 0 | 110.4 | P78 | P78-S80 VanDerWaalsContact CB-O 3.3Å; P78-S80 WeakPolarHBondContact CB-O 3.41Å; P78-S80 PolarHBondContact O-N 3.49Å; P78-S80 VanDerWaalsContact O-N 3.14Å |
| 81 | L | 74.3 | Confident | 81.9 | Confident | 90 Ų | 90 | 62 Ų | 62 | 47% | 0.471 | 33% | 0.326 | S | S | . | . | trans | -68.1 | 141.1 | 174.5 | -68 | 176.1 | 0 | 0 | 0 | 110.3 | L149 | L81-L149 HydrophobicContact CD1-CD1 4.34Š| ||
| 82 | P | 82.3 | Confident | 82.3 | Confident | 9 Ų | 9 | 63.6 Ų | 63.6 | 6% | 0.058 | 34% | 0.338 | C | S | . | . | trans | -65 | 133.5 | 176.7 | -20.2 | 32.2 | 0 | 0 | 0 | 112.6 | Y38 N40 I153 | Y38-P82 WeakPolarHBondContact O-CB 3.46Å; N40-P82 PolarHBondContact ND2-O 3.47Å; P82-I153 HydrophobicContact CG-CB 4.48Å; P82-I153 HydrophobicContact CG-CG2 3.9Å | ||
| 83 | N | 83.6 | Confident | 82.9 | Confident | 154 Ų | 154 | 60.7 Ų | 60.7 | 82% | 0.824 | 33% | 0.325 | S | S | * | . | trans | -92.7 | -24.5 | 172.6 | -72.3 | -14.2 | 0 | 0 | 0 | 113.2 | ||||
| 84 | N | 91.7 | Very high | 83.7 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 43% | 0.428 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -104 | 147.5 | -176.1 | -69.6 | -39.7 | 0 | 0 | 0 | 110.6 | Y39 N40 Q121 | Y39-N84 CarbonylContact C-O 3.44Å; Y39-N84 WeakPolarHBondContact CA-O 3.36Å; Y39-N84 HydrophobicContact CD1-CB 3.77Å; Y39-N84 HydrophobicContact CE1-CB 4.12Å; N40-N84 PolarHBondContact N-O 3.38Å; N84-Q121 HydrophobicContact CB-CG 4.1Å |
| 85 | T | 94.7 | Very high | 84.9 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 33% | 0.331 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135.5 | -179.6 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | N40 A42 Q121 | N40-T85 HydrophobicContact CB-CG2 4.18Å; N40-T85 CarbonylContact O-C 3.6Å; N40-T85 VanDerWaalsContact O-CA 3.31Å; N40-T85 WeakPolarHBondContact O-CA 3.21Å; A42-T85 HydrophobicContact CB-CG2 3.98Å; T85-Q121 VanDerWaalsContact O-CB 3.23Å; T85-Q121 WeakPolarHBondContact O-CB 3.34Å; T85-Q121 WeakPolarHBondContact O-CG 3.05Å |
| 86 | I | 96.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 120.6 | 166.2 | -71.2 | 176.7 | 0 | 0 | 0 | 107.8 | Y39 N40 F41 A42 I118 Q121 I123 I154 | Y39-I86 HydrophobicContact CD1-CD1 4.35Å; Y39-I86 HydrophobicContact CD1-CG1 4.15Å; Y39-I86 HydrophobicContact CD2-CD1 3.92Å; Y39-I86 HydrophobicContact CG-CD1 3.74Å; Y39-I86 HydrophobicContact CG-CG1 3.91Å; N40-I86 PolarHBondContact O-N 2.02Å; F41-I86 HydrophobicContact CD2-CB 4.18Å; F41-I86 HydrophobicContact CD2-CG2 3.88Å; F41-I86 HydrophobicContact CE2-CG2 3.9Å; A42-I86 WeakPolarHBondContact CB-O 3.45Å; A42-I86 PolarHBondContact N-O 3.34Å; I86-I118 HydrophobicContact CD1-CG2 3.42Å; I86-I118 VanDerWaalsContact CD1-CG2 3.42Å; I86-Q121 WeakPolarHBondContact CA-O 3.36Å; I86-I123 HydrophobicContact CD1-CG1 4.28Å; I86-I123 HydrophobicContact CG2-CD1 4.25Å; I86-I123 HydrophobicContact CG2-CG1 3.88Å; I86-I154 HydrophobicContact CD1-CG2 3.77Å |
| 87 | N | 95.9 | Very high | 88.2 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 0.9 | 176.7 | 63.1 | -12.8 | 0 | 0 | 0 | 113.2 | A42 T46 | A42-N87 HydrophobicContact CB-CB 3.81Å; T46-N87 PolarHBondContact N-O 3.33Å |
| 88 | I | 98.1 | Very high | 90.2 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 25% | 0.251 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 128.6 | -177.6 | -63.8 | 167.9 | 0 | 0 | 0 | 110.1 | T46 N48 R122 I123 | T46-I88 WeakPolarHBondContact O-CA 3.4Å; N48-I88 HydrophobicContact CB-CG2 4.5Å; N48-I88 VanDerWaalsContact ND2-CG2 3.33Å; N48-I88 WeakPolarHBondContact ND2-CG2 3.47Å; I88-R122 HydrophobicContact CB-CB 4.09Å; I88-R122 HydrophobicContact CG2-CB 4.34Å; I88-R122 CarbonylContact O-C 3.59Å; I88-R122 WeakPolarHBondContact O-CA 3.37Å; I88-I123 PolarHBondContact O-N 2.99Å |
| 89 | I | 98.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 111 | 166.1 | -54.3 | -171.1 | 0 | 0 | 0 | 108.4 | F41 L45 T46 Y47 N48 F64 I91 I123 I140 | F41-I89 HydrophobicContact CZ-CD1 4.16Å; L45-I89 HydrophobicContact CD1-CD1 4.03Å; T46-I89 PolarHBondContact O-N 3.01Å; Y47-I89 WeakPolarHBondContact CA-O 3.18Å; Y47-I89 HydrophobicContact CD1-CB 3.97Å; Y47-I89 HydrophobicContact CE1-CB 4.22Å; Y47-I89 HydrophobicContact CE1-CD1 3.96Å; Y47-I89 HydrophobicContact CE1-CG1 4.37Å; N48-I89 PolarHBondContact N-O 2.99Å; F64-I89 HydrophobicContact CE1-CD1 4.12Å; F64-I89 HydrophobicContact CZ-CD1 4.09Å; I89-I91 HydrophobicContact CG2-CD1 4.35Å; I89-I91 HydrophobicContact CG2-CG1 3.95Å; I89-I123 HydrophobicContact CG1-CB 4.23Å; I89-I123 HydrophobicContact CG2-CB 4.39Å; I89-I123 HydrophobicContact CG2-CG2 4.25Å; I89-I140 HydrophobicContact CD1-CD1 4.46Å |
| 90 | K | 98.5 | Very high | 93.3 | Very high | 99 Ų | 99 | 56.9 Ų | 56.9 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120.7 | 173.3 | -177.3 | 173.9 | -178.1 | 171.7 | 0 | 109.7 | N48 I123 I124 L125 | N48-K90 HydrophobicContact CB-CB 4.29Å; N48-K90 HydrophobicContact CB-CG 4.34Å; N48-K90 WeakPolarHBondContact O-CA 3.44Å; K90-I123 PolarHBondContact N-O 2.93Å; K90-I124 HydrophobicContact CB-CG1 4.47Å; K90-I124 WeakPolarHBondContact O-CA 3.29Å; K90-L125 PolarHBondContact O-N 3.26Å |
| 91 | I | 98.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 133.2 | -177.8 | -62.2 | 176.9 | 0 | 0 | 0 | 109.5 | Y47 N48 H49 L57 L61 I89 I93 L125 I133 | Y47-I91 HydrophobicContact CD1-CD1 4.44Å; N48-I91 PolarHBondContact O-N 3.25Å; H49-I91 HydrophobicContact CB-CB 4.13Å; L57-I91 HydrophobicContact CD1-CD1 4Å; L57-I91 HydrophobicContact CD1-CG2 4.49Å; L57-I91 HydrophobicContact CD2-CG2 4.45Å; L61-I91 HydrophobicContact CD2-CD1 3.85Å; I89-I91 HydrophobicContact CG2-CD1 4.35Å; I89-I91 HydrophobicContact CG2-CG1 3.95Å; I91-I93 HydrophobicContact CG2-CG1 4.42Å; I91-L125 WeakPolarHBondContact CA-O 3.49Å; I91-I133 HydrophobicContact CD1-CG2 4.39Å; I91-I133 HydrophobicContact CG2-CD1 4.03Å; I91-I133 HydrophobicContact CG2-CG1 4.21Å; I91-I133 HydrophobicContact CG2-CG2 3.9Å |
| 92 | S | 98.7 | Very high | 95.3 | Very high | 40 Ų | 40 | 59 Ų | 59 | 28% | 0.28 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 120.6 | 178 | -169.3 | 0 | 0 | 0 | 0 | 110.6 | L125 K126 S127 | S92-L125 PolarHBondContact N-O 2.95Å; S92-K126 VanDerWaalsContact O-CA 3.26Å; S92-K126 WeakPolarHBondContact O-CA 3.44Å; S92-S127 PolarHBondContact O-N 3.43Å |
| 93 | I | 98.7 | Very high | 96 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.015 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 111 | 175.9 | -52.9 | 169 | 0 | 0 | 0 | 107.6 | Y51 I91 N95 G96 C97 S127 I130 I133 | Y51-I93 HydrophobicContact CD2-CD1 3.9Å; Y51-I93 HydrophobicContact CD2-CG1 4.31Å; Y51-I93 HydrophobicContact CE1-CB 4.23Å; Y51-I93 HydrophobicContact CE2-CB 4.05Å; Y51-I93 HydrophobicContact CE2-CD1 3.97Å; Y51-I93 HydrophobicContact CE2-CG1 3.86Å; Y51-I93 HydrophobicContact CG-CD1 4.3Å; Y51-I93 PolarHBondContact OH-N 3.35Å; Y51-I93 PolarHBondContact OH-O 3.26Å; I91-I93 HydrophobicContact CG2-CG1 4.42Å; I93-N95 PolarHBondContact O-N 3.29Å; I93-G96 VanDerWaalsContact CG2-O 3.25Å; I93-G96 WeakPolarHBondContact CG2-O 3.05Å; I93-G96 PolarHBondContact O-N 2.88Å; I93-C97 HydrophobicContact CD1-CB 3.92Å; I93-S127 WeakPolarHBondContact CA-O 3.16Å; I93-I130 HydrophobicContact CD1-CB 4.23Å; I93-I130 HydrophobicContact CD1-CD1 3.59Å; I93-I130 HydrophobicContact CD1-CG1 4.48Å; I93-I133 HydrophobicContact CD1-CG1 4.07Å; I93-I133 HydrophobicContact CG1-CD1 4.12Å; I93-I133 HydrophobicContact CG1-CG1 3.62Å |
| 94 | T | 98.2 | Very high | 96.6 | Very high | 111 Ų | 111 | 59.1 Ų | 59.1 | 68% | 0.681 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -39.3 | -171.9 | -55.3 | 0 | 0 | 0 | 0 | 112.9 | G96 S127 K128 | T94-G96 PolarHBondContact O-N 3.44Å; T94-S127 PolarHBondContact N-O 3.23Å; T94-K128 PolarHBondContact N-O 3.19Å |
| 95 | N | 97.5 | Very high | 96.9 | Very high | 98 Ų | 98 | 59.2 Ų | 59.2 | 52% | 0.524 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -1.1 | 177 | -70.6 | 2.3 | 0 | 0 | 0 | 113.1 | I93 K128 E129 | I93-N95 PolarHBondContact O-N 3.29Å; N95-K128 VanDerWaalsContact CB-O 3.3Å; N95-K128 WeakPolarHBondContact CB-O 3.12Å; N95-K128 PolarHBondContact N-O 3.23Å; N95-E129 HydrophobicContact CB-CG 4.36Å; N95-E129 PolarHBondContact ND2-OE1 3.05Å |
| 96 | G | 96 | Very high | 97.1 | Very high | 30 Ų | 30 | 57.1 Ų | 57.1 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | trans | 74 | 177.8 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I93 T94 | I93-G96 VanDerWaalsContact CG2-O 3.25Å; I93-G96 WeakPolarHBondContact CG2-O 3.05Å; I93-G96 PolarHBondContact O-N 2.88Å; T94-G96 PolarHBondContact O-N 3.44Å | ||
| 97 | C | 97.9 | Very high | 97.1 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 7% | 0.074 | 33% | 0.331 | C | S | . | . | trans | -153 | 118.5 | 167.9 | 179.1 | 0 | 0 | 0 | 0 | 106.8 | C54 I93 | C54-C97 HydrophobicContact CB-CB 3.67Å; C54-C97 WeakPolarHBondContact CB-SG 3.36Å; C54-C97 WeakPolarHBondContact SG-CB 3.43Å; C54-C97 CovalentContact SG-SG 2.03Å; C54-C97 PolarHBondContact SG-SG 3.4Å; I93-C97 HydrophobicContact CD1-CB 3.92Å | ||
| 98 | D | 97 | Very high | 97.1 | Very high | 96 Ų | 96 | 58.7 Ų | 58.7 | 51% | 0.513 | 33% | 0.329 | S | S | . | . | trans | -146.7 | 121.6 | -179.3 | -170.2 | -17.6 | 0 | 0 | 0 | 107.8 | S53 S100 | S53-D98 WeakPolarHBondContact CB-OD1 3.24Å; D98-S100 WeakPolarHBondContact OD1-CB 3.33Å; D98-S100 PolarHBondContact OD1-N 3.12Å; D98-S100 PolarHBondContact OD1-OG 3.25Å | ||
| 99 | E | 97.1 | Very high | 97 | Very high | 27 Ų | 27 | 61 Ų | 61 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | trans | -117.7 | 26.3 | 179.5 | -55.7 | -172.1 | 82.7 | 0 | 0 | 111 | S53 Y55 I56 D102 L104 R245 | S53-E99 WeakPolarHBondContact O-CB 3.1Å; S53-E99 PolarHBondContact O-N 3.18Å; Y55-E99 WeakPolarHBondContact CA-OE2 3.32Å; Y55-E99 WeakPolarHBondContact CB-OE2 3.42Å; Y55-E99 PolarHBondContact N-OE2 3.2Å; I56-E99 WeakPolarHBondContact CG1-OE2 3.41Å; I56-E99 PolarHBondContact N-OE2 2.87Å; E99-D102 WeakPolarHBondContact CA-O 3.48Å; E99-L104 HydrophobicContact CG-CB 4.07Å; E99-L104 PolarHBondContact OE1-N 3.05Å; E99-L104 VanDerWaalsContact OE1-N 3.1Å; E99-R245 IonicContact OE1-CZ 3.83Å; E99-R245 IonicContact OE1-NH1 3.85Å; E99-R245 PolarHBondContact OE1-NH1 3.35Å; E99-R245 IonicContact OE1-NH2 3.29Å | ||
| 100 | S | 95.3 | Very high | 96.9 | Very high | 88 Ų | 88 | 61.8 Ų | 61.8 | 62% | 0.615 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -72.8 | -29.6 | 178.8 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | D98 | D98-S100 WeakPolarHBondContact OD1-CB 3.33Å; D98-S100 PolarHBondContact OD1-N 3.12Å; D98-S100 PolarHBondContact OD1-OG 3.25Å |
| 101 | S | 93.7 | Very high | 96.9 | Very high | 96 Ų | 96 | 58.9 Ų | 58.9 | 67% | 0.671 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -97.1 | -47.5 | 176.3 | 70.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 102 | D | 94.1 | Very high | 96.9 | Very high | 121 Ų | 121 | 59 Ų | 59 | 65% | 0.647 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -144.7 | 149.2 | -171.3 | -58.4 | -77.8 | 0 | 0 | 0 | 110.5 | E99 L104 | E99-D102 WeakPolarHBondContact CA-O 3.48Å; D102-L104 PolarHBondContact O-N 3.42Å |
| 103 | E | 95.8 | Very high | 96.9 | Very high | 100 Ų | 100 | 60.1 Ų | 60.1 | 47% | 0.467 | 35% | 0.348 | S | S | . | . | trans | -66.4 | 132.4 | 174.4 | -67.1 | 175 | 159 | 0 | 0 | 110.5 | W105 | E103-W105 VanDerWaalsContact OE2-CZ2 3.31Å; E103-W105 WeakPolarHBondContact OE2-CZ2 3.46Å | ||
| 104 | L | 97.2 | Very high | 96.9 | Very high | 64 Ų | 64 | 60.5 Ų | 60.5 | 34% | 0.335 | 35% | 0.349 | S | S | . | . | trans | -83.1 | 125.5 | 173.3 | -179.6 | 62.9 | 0 | 0 | 0 | 109.6 | I56 E99 D102 I130 W131 R245 | I56-L104 HydrophobicContact CD1-CB 3.97Å; I56-L104 HydrophobicContact CD1-CD2 4.2Å; I56-L104 HydrophobicContact CD1-CG 4.27Å; E99-L104 HydrophobicContact CG-CB 4.07Å; E99-L104 PolarHBondContact OE1-N 3.05Å; E99-L104 VanDerWaalsContact OE1-N 3.1Å; D102-L104 PolarHBondContact O-N 3.42Å; L104-I130 HydrophobicContact CD2-CG2 3.7Å; L104-W131 HydrophobicContact CD1-CZ2 4.49Å; L104-W131 HydrophobicContact CD2-CH2 4.49Å; L104-W131 HydrophobicContact CD2-CZ2 4.1Å; L104-W131 HydrophobicContact CG-CH2 4.2Å; L104-W131 HydrophobicContact CG-CZ2 3.84Å; L104-R245 VanDerWaalsContact O-CD 3.32Å; L104-R245 WeakPolarHBondContact O-CD 3.35Å; L104-R245 VanDerWaalsContact O-CG 3.31Å; L104-R245 WeakPolarHBondContact O-CG 3.33Å; L104-R245 PolarHBondContact O-NH1 3.04Å | ||
| 105 | W | 97.5 | Very high | 96.9 | Very high | 82 Ų | 82 | 56.6 Ų | 56.6 | 31% | 0.311 | 33% | 0.327 | S | S | . | . | trans | -110.5 | 140.6 | -179.9 | -68.8 | 88.6 | 0 | 0 | 0 | 112 | E103 L241 R245 P311 | E103-W105 VanDerWaalsContact OE2-CZ2 3.31Å; E103-W105 WeakPolarHBondContact OE2-CZ2 3.46Å; W105-L241 HydrophobicContact CH2-CB 4.16Å; W105-L241 HydrophobicContact CZ3-CB 4.27Å; W105-R245 VanDerWaalsContact CD2-CD 3.4Å; W105-R245 HydrophobicContact CD2-CG 3.97Å; W105-R245 VanDerWaalsContact CE2-CD 3.5Å; W105-R245 HydrophobicContact CE3-CB 3.86Å; W105-R245 VanDerWaalsContact CE3-CD 3.44Å; W105-R245 HydrophobicContact CE3-CG 3.62Å; W105-R245 HydrophobicContact CH2-CB 4.33Å; W105-R245 HydrophobicContact CH2-CG 4.47Å; W105-R245 HydrophobicContact CZ3-CB 3.67Å; W105-R245 HydrophobicContact CZ3-CG 3.89Å; W105-P311 HydrophobicContact CD2-CB 3.76Å; W105-P311 HydrophobicContact CD2-CG 3.83Å; W105-P311 HydrophobicContact CE3-CB 3.79Å; W105-P311 HydrophobicContact CE3-CG 3.67Å; W105-P311 HydrophobicContact CG-CB 4.19Å; W105-P311 HydrophobicContact CH2-CG 3.68Å; W105-P311 HydrophobicContact CZ2-CG 3.81Å; W105-P311 HydrophobicContact CZ3-CB 4.25Å; W105-P311 HydrophobicContact CZ3-CG 3.6Å | ||
| 106 | P | 98.1 | Very high | 97 | Very high | 10 Ų | 10 | 52 Ų | 52 | 7% | 0.065 | 30% | 0.302 | C | S | . | . | trans | -65.7 | 150.6 | 170.7 | 29.8 | -34.7 | 0 | 0 | 0 | 110.4 | M110 W131 R250 | P106-M110 HydrophobicContact CB-CE 4.37Å; P106-M110 HydrophobicContact CB-SD 3.48Å; P106-M110 WeakPolarHBondContact CB-SD 3.35Å; P106-W131 HydrophobicContact CB-CE3 4.47Å; P106-W131 HydrophobicContact CB-CH2 4.03Å; P106-W131 HydrophobicContact CB-CZ2 4.08Å; P106-W131 HydrophobicContact CB-CZ3 4.25Å; P106-W131 HydrophobicContact CG-CH2 4.41Å; P106-R250 HydrophobicContact CB-CG 4.04Å; P106-R250 HydrophobicContact CG-CG 4.03Å | ||
| 107 | S | 97 | Very high | 97.1 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 25% | 0.245 | 30% | 0.301 | C | S | . | . | trans | -143.9 | 170.7 | -178.5 | 76.4 | 0 | 0 | 0 | 0 | 111.8 | S109 M110 | S107-S109 PolarHBondContact O-N 3.03Å; S107-S109 VanDerWaalsContact O-N 3.15Å; S107-S109 PolarHBondContact OG-N 3.37Å; S107-S109 PolarHBondContact OG-OG 3.29Å; S107-S109 VanDerWaalsContact OG-OG 3.1Å; S107-M110 VanDerWaalsContact O-CB 3.29Å; S107-M110 WeakPolarHBondContact O-CB 3.24Å; S107-M110 WeakPolarHBondContact O-CG 3.35Å; S107-M110 PolarHBondContact O-N 3.18Å; S107-M110 VanDerWaalsContact O-N 3.15Å | ||
| 108 | E | 95.5 | Very high | 97.1 | Very high | 67 Ų | 67 | 53 Ų | 53 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.1 | -179 | 56.6 | -79.4 | -172.3 | 0 | 0 | 112.1 | R250 N313 W314 | E108-R250 IonicContact OE2-CZ 3.46Å; E108-R250 IonicContact OE2-NH1 3.67Å; E108-R250 PolarHBondContact OE2-NH1 3.12Å; E108-N313 PolarHBondContact OE1-ND2 3.07Å; E108-W314 HydrophobicContact CB-CZ2 4.48Å |
| 109 | S | 95.4 | Very high | 96.9 | Very high | 97 Ų | 97 | 52.9 Ų | 52.9 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 2.9 | -177.8 | 67.6 | 0 | 0 | 0 | 0 | 113.1 | S107 | S107-S109 PolarHBondContact O-N 3.03Å; S107-S109 VanDerWaalsContact O-N 3.15Å; S107-S109 PolarHBondContact OG-N 3.37Å; S107-S109 PolarHBondContact OG-OG 3.29Å; S107-S109 VanDerWaalsContact OG-OG 3.1Å |
| 110 | M | 97.6 | Very high | 96.3 | Very high | 17 Ų | 17 | 56.5 Ų | 56.5 | 8% | 0.084 | 31% | 0.314 | C | S | . | . | trans | -63.9 | 144.8 | -174 | 78.9 | -178 | 174.6 | 0 | 0 | 112.5 | P106 S107 E112 W131 N197 G248 | P106-M110 HydrophobicContact CB-CE 4.37Å; P106-M110 HydrophobicContact CB-SD 3.48Å; P106-M110 WeakPolarHBondContact CB-SD 3.35Å; S107-M110 VanDerWaalsContact O-CB 3.29Å; S107-M110 WeakPolarHBondContact O-CB 3.24Å; S107-M110 WeakPolarHBondContact O-CG 3.35Å; S107-M110 PolarHBondContact O-N 3.18Å; S107-M110 VanDerWaalsContact O-N 3.15Å; M110-E112 HydrophobicContact CE-CG 3.88Å; M110-E112 WeakPolarHBondContact CE-OE2 3.39Å; M110-E112 HydrophobicContact CG-CG 3.82Å; M110-E112 HydrophobicContact SD-CG 4.39Å; M110-W131 HydrophobicContact CB-CG 4.3Å; M110-W131 HydrophobicContact CG-CG 4.28Å; M110-W131 HydrophobicContact SD-CB 4.31Å; M110-W131 HydrophobicContact SD-CD2 4.03Å; M110-W131 HydrophobicContact SD-CG 3.8Å; M110-N197 HydrophobicContact CE-CB 3.63Å; M110-N197 WeakPolarHBondContact CE-ND2 3.3Å; M110-G248 WeakPolarHBondContact CE-O 3.15Å | ||
| 111 | N | 98.6 | Very high | 96 | Very high | 39 Ų | 39 | 57 Ų | 57 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | trans | -94.4 | 114.1 | 178.6 | -167.3 | -74.7 | 0 | 0 | 0 | 111.8 | T113 K128 E129 | N111-T113 PolarHBondContact OD1-N 2.88Å; N111-T113 VanDerWaalsContact OD1-N 3.13Å; N111-T113 PolarHBondContact OD1-OG1 3.34Å; N111-K128 HydrophobicContact CB-CB 4.2Å; N111-K128 HydrophobicContact CB-CD 4.09Å; N111-E129 HydrophobicContact CB-CB 4.39Å; N111-E129 HydrophobicContact CB-CG 4.16Å; N111-E129 PolarHBondContact N-OE2 3.36Å | ||
| 112 | E | 98.7 | Very high | 96.2 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | trans | -104.1 | 3.4 | -175.8 | -57.6 | -173.2 | -96.9 | 0 | 0 | 113.1 | M110 W131 G132 H135 P163 R168 N197 | M110-E112 HydrophobicContact CE-CG 3.88Å; M110-E112 WeakPolarHBondContact CE-OE2 3.39Å; M110-E112 HydrophobicContact CG-CG 3.82Å; M110-E112 HydrophobicContact SD-CG 4.39Å; E112-W131 HydrophobicContact CG-CB 4.14Å; E112-G132 WeakPolarHBondContact O-CA 3.17Å; E112-H135 IonicContact OE2-CD2 2.88Å; E112-H135 IonicContact OE2-CE1 2.82Å; E112-H135 IonicContact OE2-NE2 3.51Å; E112-H135 PolarHBondContact OE2-NE2 3.45Å; E112-P163 HydrophobicContact CB-CG 4.01Å; E112-R168 IonicContact OE1-CZ 2.71Å; E112-R168 VanDerWaalsContact OE1-CZ 3.31Å; E112-R168 IonicContact OE1-NH1 3.02Å; E112-R168 PolarHBondContact OE1-NH1 2.92Å; E112-R168 IonicContact OE1-NH2 2.89Å; E112-R168 PolarHBondContact OE1-NH2 2.7Å; E112-R168 IonicContact OE2-CZ 3.11Å; E112-R168 IonicContact OE2-NH1 3.08Å; E112-R168 IonicContact OE2-NH2 3.72Å; E112-R168 PolarHBondContact OE2-NH2 3.41Å; E112-N197 PolarHBondContact OE1-ND2 3.14Å | ||
| 113 | T | 98.7 | Very high | 96.4 | Very high | 65 Ų | 65 | 52 Ų | 52 | 40% | 0.399 | 26% | 0.264 | S | S | . | . | trans | -73.5 | 143.4 | -177.4 | 67.3 | 0 | 0 | 0 | 0 | 111 | N111 S127 D161 | N111-T113 PolarHBondContact OD1-N 2.88Å; N111-T113 VanDerWaalsContact OD1-N 3.13Å; N111-T113 PolarHBondContact OD1-OG1 3.34Å; T113-S127 VanDerWaalsContact O-CB 3.31Å; T113-S127 WeakPolarHBondContact O-CB 3.45Å; T113-S127 PolarHBondContact O-OG 2.91Å; T113-D161 WeakPolarHBondContact CA-O 3.42Å | ||
| 114 | Y | 98.8 | Very high | 96.5 | Very high | 11 Ų | 11 | 48.4 Ų | 48.4 | 4% | 0.043 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 164.2 | 177.9 | 65.7 | -82.1 | 0 | 0 | 0 | 112.6 | L125 K126 G132 H135 G136 T139 D161 K195 W485 | Y114-L125 HydrophobicContact CD2-CD1 4.01Å; Y114-K126 CarbonylContact C-O 3.55Å; Y114-K126 VanDerWaalsContact CA-O 3.25Å; Y114-K126 WeakPolarHBondContact CA-O 3.47Å; Y114-K126 WeakPolarHBondContact CB-O 3.48Å; Y114-G132 VanDerWaalsContact CB-O 3.27Å; Y114-G132 WeakPolarHBondContact CB-O 3.45Å; Y114-G132 WeakPolarHBondContact CD1-O 3.44Å; Y114-H135 HydrophobicContact CD1-CB 3.96Å; Y114-H135 HydrophobicContact CE1-CB 3.56Å; Y114-G136 VanDerWaalsContact CE2-CA 3.47Å; Y114-T139 PolarHBondContact OH-OG1 3.49Å; Y114-D161 HydrophobicContact CD1-CB 4.36Å; Y114-D161 HydrophobicContact CE1-CB 3.71Å; Y114-D161 HydrophobicContact CE2-CB 4.06Å; Y114-D161 PolarHBondContact N-O 3.27Å; Y114-D161 PolarHBondContact O-N 2.83Å; Y114-D161 PolarHBondContact OH-OD2 3.13Å; Y114-K195 VanDerWaalsContact OH-CE 3.23Å; Y114-K195 WeakPolarHBondContact OH-CE 3.48Å; Y114-W485 HydrophobicContact CE1-CH2 4.37Å; Y114-W485 HydrophobicContact CE1-CZ2 4.04Å |
| 115 | S | 98.7 | Very high | 96.6 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 20% | 0.203 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.7 | 171.8 | 60.8 | 0 | 0 | 0 | 0 | 109.8 | K126 I159 | S115-K126 PolarHBondContact N-O 3.08Å; S115-K126 PolarHBondContact O-N 3Å; S115-I159 CarbonylContact C-O 3.45Å; S115-I159 VanDerWaalsContact CA-O 3.3Å; S115-I159 WeakPolarHBondContact CA-O 3.48Å |
| 116 | L | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.7 | 178.8 | -176 | 70 | 0 | 0 | 0 | 108.7 | I118 I123 I124 L125 T139 I140 L143 I158 I159 | L116-I118 HydrophobicContact CD2-CD1 3.95Å; L116-I118 HydrophobicContact CD2-CG1 4.19Å; L116-I118 HydrophobicContact CG-CD1 4.35Å; L116-I118 HydrophobicContact CG-CG1 4.04Å; L116-I123 HydrophobicContact CD1-CG2 3.27Å; L116-I123 HydrophobicContact CG-CG2 4.37Å; L116-I124 WeakPolarHBondContact CA-O 3.45Å; L116-L125 HydrophobicContact CD1-CB 4.14Å; L116-L125 HydrophobicContact CD1-CD1 4.22Å; L116-T139 HydrophobicContact CD2-CG2 4.06Å; L116-I140 HydrophobicContact CD1-CD1 3.7Å; L116-I140 HydrophobicContact CD1-CG1 3.71Å; L116-I140 HydrophobicContact CD2-CG1 3.74Å; L116-I140 HydrophobicContact CG-CG1 4.4Å; L116-L143 HydrophobicContact CD2-CD1 3.97Å; L116-I158 CarbonylContact O-C 3.59Å; L116-I158 WeakPolarHBondContact O-CA 3.5Å; L116-I159 HydrophobicContact CB-CB 4.16Å; L116-I159 HydrophobicContact CD2-CD1 4.25Å; L116-I159 PolarHBondContact N-O 3.29Å; L116-I159 PolarHBondContact O-N 3.4Å |
| 117 | I | 98.4 | Very high | 96.7 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 30% | 0.297 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 119 | 175.3 | -55.2 | 173.2 | 0 | 0 | 0 | 108 | F119 I123 I124 I158 | I117-F119 HydrophobicContact CG2-CB 4.25Å; I117-I123 CarbonylContact O-C 3.52Å; I117-I123 WeakPolarHBondContact O-CA 3.26Å; I117-I124 HydrophobicContact CB-CB 4.28Å; I117-I124 PolarHBondContact N-O 3.34Å; I117-I124 PolarHBondContact O-N 2.98Å; I117-I158 HydrophobicContact CG1-CG1 4.44Å; I117-I158 HydrophobicContact CG2-CG1 4.35Å |
| 118 | I | 96.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 96 | -178.6 | -51.7 | 171.7 | 0 | 0 | 0 | 107.1 | I86 L116 I123 L143 I154 E155 G156 G157 | I86-I118 HydrophobicContact CD1-CG2 3.42Å; I86-I118 VanDerWaalsContact CD1-CG2 3.42Å; L116-I118 HydrophobicContact CD2-CD1 3.95Å; L116-I118 HydrophobicContact CD2-CG1 4.19Å; L116-I118 HydrophobicContact CG-CD1 4.35Å; L116-I118 HydrophobicContact CG-CG1 4.04Å; I118-I123 HydrophobicContact CG1-CD1 4.43Å; I118-I123 HydrophobicContact CG1-CG1 4.19Å; I118-I123 HydrophobicContact CG2-CG1 4.21Å; I118-L143 HydrophobicContact CD1-CD1 4.01Å; I118-I154 HydrophobicContact CD1-CD1 3.73Å; I118-I154 HydrophobicContact CD1-CG1 4.12Å; I118-I154 HydrophobicContact CG2-CG2 4.34Å; I118-E155 WeakPolarHBondContact CD1-O 3.16Å; I118-G156 VanDerWaalsContact O-CA 3.31Å; I118-G156 WeakPolarHBondContact O-CA 3.31Å; I118-G157 PolarHBondContact N-O 3.29Å; I118-G157 PolarHBondContact O-N 2.97Å; I118-G157 VanDerWaalsContact O-N 3.16Å |
| 119 | F | 92.9 | Very high | 96.9 | Very high | 94 Ų | 94 | 47.6 Ų | 47.6 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 156.6 | -174.1 | -157.6 | -104.4 | 0 | 0 | 0 | 111.7 | I117 Q121 R122 | I117-F119 HydrophobicContact CG2-CB 4.25Å; F119-Q121 PolarHBondContact O-N 2.9Å; F119-R122 PolarHBondContact N-O 3.12Å; F119-R122 VanDerWaalsContact N-O 3.13Å; F119-R122 WeakPolarHBondContact O-CG 3.5Å; F119-R122 PolarHBondContact O-N 3.14Å |
| 120 | N | 86.1 | Confident | 97.1 | Very high | 103 Ų | 103 | 43 Ų | 43 | 55% | 0.551 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 50.3 | 175.1 | -70 | -19.9 | 0 | 0 | 0 | 113.9 | R122 | N120-R122 PolarHBondContact O-N 3.35Å; N120-R122 VanDerWaalsContact O-N 3.08Å |
| 121 | Q | 88.3 | Confident | 97.1 | Very high | 98 Ų | 98 | 42.5 Ų | 42.5 | 46% | 0.458 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 18.5 | 175.6 | -61.7 | 172.9 | 72.3 | 0 | 0 | 114.6 | N84 T85 I86 F119 | N84-Q121 HydrophobicContact CB-CG 4.1Å; T85-Q121 VanDerWaalsContact O-CB 3.23Å; T85-Q121 WeakPolarHBondContact O-CB 3.34Å; T85-Q121 WeakPolarHBondContact O-CG 3.05Å; I86-Q121 WeakPolarHBondContact CA-O 3.36Å; F119-Q121 PolarHBondContact O-N 2.9Å |
| 122 | R | 97 | Very high | 97.1 | Very high | 111 Ų | 111 | 40.6 Ų | 40.6 | 42% | 0.419 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 160.2 | 176.2 | 65.5 | -176.5 | -177.8 | -170.2 | -0.7 | 111.9 | I88 F119 N120 | I88-R122 HydrophobicContact CB-CB 4.09Å; I88-R122 HydrophobicContact CG2-CB 4.34Å; I88-R122 CarbonylContact O-C 3.59Å; I88-R122 WeakPolarHBondContact O-CA 3.37Å; F119-R122 PolarHBondContact N-O 3.12Å; F119-R122 VanDerWaalsContact N-O 3.13Å; F119-R122 WeakPolarHBondContact O-CG 3.5Å; F119-R122 PolarHBondContact O-N 3.14Å; N120-R122 PolarHBondContact O-N 3.35Å; N120-R122 VanDerWaalsContact O-N 3.08Å |
| 123 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 135.8 | 165.8 | -66 | -176.9 | 0 | 0 | 0 | 108.5 | F41 I86 I88 I89 K90 L116 I117 I118 I140 I154 | F41-I123 HydrophobicContact CD2-CD1 4.45Å; F41-I123 HydrophobicContact CE2-CD1 3.66Å; I86-I123 HydrophobicContact CD1-CG1 4.28Å; I86-I123 HydrophobicContact CG2-CD1 4.25Å; I86-I123 HydrophobicContact CG2-CG1 3.88Å; I88-I123 PolarHBondContact O-N 2.99Å; I89-I123 HydrophobicContact CG1-CB 4.23Å; I89-I123 HydrophobicContact CG2-CB 4.39Å; I89-I123 HydrophobicContact CG2-CG2 4.25Å; K90-I123 PolarHBondContact N-O 2.93Å; L116-I123 HydrophobicContact CD1-CG2 3.27Å; L116-I123 HydrophobicContact CG-CG2 4.37Å; I117-I123 CarbonylContact O-C 3.52Å; I117-I123 WeakPolarHBondContact O-CA 3.26Å; I118-I123 HydrophobicContact CG1-CD1 4.43Å; I118-I123 HydrophobicContact CG1-CG1 4.19Å; I118-I123 HydrophobicContact CG2-CG1 4.21Å; I123-I140 HydrophobicContact CD1-CD1 4.31Å; I123-I140 HydrophobicContact CD1-CG1 4.3Å; I123-I140 HydrophobicContact CD1-CG2 4.01Å; I123-I140 HydrophobicContact CG2-CD1 3.9Å; I123-I154 HydrophobicContact CD1-CD1 3.95Å |
| 124 | I | 98.6 | Very high | 97.1 | Very high | 26 Ų | 26 | 37.7 Ų | 37.7 | 13% | 0.133 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 112.4 | 169.5 | -57.7 | 169.3 | 0 | 0 | 0 | 107.1 | K90 L116 I117 K126 | K90-I124 HydrophobicContact CB-CG1 4.47Å; K90-I124 WeakPolarHBondContact O-CA 3.29Å; L116-I124 WeakPolarHBondContact CA-O 3.45Å; I117-I124 HydrophobicContact CB-CB 4.28Å; I117-I124 PolarHBondContact N-O 3.34Å; I117-I124 PolarHBondContact O-N 2.98Å; I124-K126 HydrophobicContact CG2-CD 4.27Å; I124-K126 HydrophobicContact CG2-CG 3.86Å |
| 125 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 120.4 | 176.2 | 175.7 | 55.9 | 0 | 0 | 0 | 109 | K90 I91 S92 Y114 L116 I133 L137 I140 | K90-L125 PolarHBondContact O-N 3.26Å; I91-L125 WeakPolarHBondContact CA-O 3.49Å; S92-L125 PolarHBondContact N-O 2.95Å; Y114-L125 HydrophobicContact CD2-CD1 4.01Å; L116-L125 HydrophobicContact CD1-CB 4.14Å; L116-L125 HydrophobicContact CD1-CD1 4.22Å; L125-I133 HydrophobicContact CD1-CD1 4.49Å; L125-I133 HydrophobicContact CD2-CD1 4.45Å; L125-I133 HydrophobicContact CD2-CG2 3.8Å; L125-I133 HydrophobicContact CG-CD1 3.91Å; L125-I133 HydrophobicContact CG-CG2 4.42Å; L125-L137 HydrophobicContact CD2-CD2 4.09Å; L125-L137 HydrophobicContact CD2-CG 4.01Å; L125-I140 HydrophobicContact CD2-CD1 4.28Å |
| 126 | K | 98.9 | Very high | 97.1 | Very high | 96 Ų | 96 | 36.1 Ų | 36.1 | 42% | 0.417 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141.6 | 179.5 | -47.7 | -173.7 | 176 | 177.3 | 0 | 111.6 | S92 Y114 S115 I124 | S92-K126 VanDerWaalsContact O-CA 3.26Å; S92-K126 WeakPolarHBondContact O-CA 3.44Å; Y114-K126 CarbonylContact C-O 3.55Å; Y114-K126 VanDerWaalsContact CA-O 3.25Å; Y114-K126 WeakPolarHBondContact CA-O 3.47Å; Y114-K126 WeakPolarHBondContact CB-O 3.48Å; S115-K126 PolarHBondContact N-O 3.08Å; S115-K126 PolarHBondContact O-N 3Å; I124-K126 HydrophobicContact CG2-CD 4.27Å; I124-K126 HydrophobicContact CG2-CG 3.86Å |
| 127 | S | 98.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 164.3 | 170.2 | -178 | 0 | 0 | 0 | 0 | 110.3 | S92 I93 T94 T113 E129 G132 | S92-S127 PolarHBondContact O-N 3.43Å; I93-S127 WeakPolarHBondContact CA-O 3.16Å; T94-S127 PolarHBondContact N-O 3.23Å; T113-S127 VanDerWaalsContact O-CB 3.31Å; T113-S127 WeakPolarHBondContact O-CB 3.45Å; T113-S127 PolarHBondContact O-OG 2.91Å; S127-E129 WeakPolarHBondContact CB-O 3.09Å; S127-E129 PolarHBondContact OG-N 2.85Å; S127-E129 PolarHBondContact OG-O 3.35Å; S127-G132 WeakPolarHBondContact OG-CA 3.33Å |
| 128 | K | 98.5 | Very high | 97.1 | Very high | 99 Ų | 99 | 33.8 Ų | 33.8 | 43% | 0.43 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -69.1 | -42.1 | 170.6 | -173 | -179.9 | 174.9 | -171.5 | 0 | 110.9 | T94 N95 N111 | T94-K128 PolarHBondContact N-O 3.19Å; N95-K128 VanDerWaalsContact CB-O 3.3Å; N95-K128 WeakPolarHBondContact CB-O 3.12Å; N95-K128 PolarHBondContact N-O 3.23Å; N111-K128 HydrophobicContact CB-CB 4.2Å; N111-K128 HydrophobicContact CB-CD 4.09Å |
| 129 | E | 98.6 | Very high | 97.2 | Very high | 40 Ų | 40 | 33.6 Ų | 33.6 | 19% | 0.187 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -128.9 | 169.7 | -177.7 | -69.9 | 171.5 | -159.4 | 0 | 0 | 110.8 | N95 N111 S127 W131 | N95-E129 HydrophobicContact CB-CG 4.36Å; N95-E129 PolarHBondContact ND2-OE1 3.05Å; N111-E129 HydrophobicContact CB-CB 4.39Å; N111-E129 HydrophobicContact CB-CG 4.16Å; N111-E129 PolarHBondContact N-OE2 3.36Å; S127-E129 WeakPolarHBondContact CB-O 3.09Å; S127-E129 PolarHBondContact OG-N 2.85Å; S127-E129 PolarHBondContact OG-O 3.35Å; E129-W131 PolarHBondContact O-N 2.85Å; E129-W131 VanDerWaalsContact OE2-CD1 3.32Å; E129-W131 PolarHBondContact OE2-NE1 2.57Å |
| 130 | I | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.3 | -29.5 | -178 | -177.1 | 60.4 | 0 | 0 | 0 | 112.8 | I56 L57 I93 L104 G132 I133 L134 | I56-I130 HydrophobicContact CB-CG1 4.15Å; I56-I130 HydrophobicContact CD1-CG2 4.31Å; I56-I130 HydrophobicContact CG2-CD1 4.41Å; I56-I130 HydrophobicContact CG2-CG1 3.59Å; L57-I130 HydrophobicContact CB-CD1 3.82Å; L57-I130 HydrophobicContact CD1-CD1 4.1Å; L57-I130 HydrophobicContact CG-CD1 4.46Å; I93-I130 HydrophobicContact CD1-CB 4.23Å; I93-I130 HydrophobicContact CD1-CD1 3.59Å; I93-I130 HydrophobicContact CD1-CG1 4.48Å; L104-I130 HydrophobicContact CD2-CG2 3.7Å; I130-G132 PolarHBondContact O-N 3.3Å; I130-I133 HydrophobicContact CD1-CB 4.15Å; I130-I133 HydrophobicContact CD1-CG1 4.41Å; I130-I133 WeakPolarHBondContact O-CA 3.35Å; I130-I133 VanDerWaalsContact O-CB 3.23Å; I130-I133 WeakPolarHBondContact O-CB 3.36Å; I130-I133 PolarHBondContact O-N 2.67Å; I130-L134 PolarHBondContact O-N 2.82Å |
| 131 | W | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 24.4 Ų | 24.4 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | -174.1 | -40.8 | 115.3 | 0 | 0 | 0 | 112.9 | I56 L104 P106 M110 E112 E129 I133 L134 H135 G248 | I56-W131 HydrophobicContact CD1-CH2 3.71Å; I56-W131 HydrophobicContact CD1-CZ3 3.94Å; I56-W131 HydrophobicContact CG2-CZ3 4.44Å; L104-W131 HydrophobicContact CD1-CZ2 4.49Å; L104-W131 HydrophobicContact CD2-CH2 4.49Å; L104-W131 HydrophobicContact CD2-CZ2 4.1Å; L104-W131 HydrophobicContact CG-CH2 4.2Å; L104-W131 HydrophobicContact CG-CZ2 3.84Å; P106-W131 HydrophobicContact CB-CE3 4.47Å; P106-W131 HydrophobicContact CB-CH2 4.03Å; P106-W131 HydrophobicContact CB-CZ2 4.08Å; P106-W131 HydrophobicContact CB-CZ3 4.25Å; P106-W131 HydrophobicContact CG-CH2 4.41Å; M110-W131 HydrophobicContact CB-CG 4.3Å; M110-W131 HydrophobicContact CG-CG 4.28Å; M110-W131 HydrophobicContact SD-CB 4.31Å; M110-W131 HydrophobicContact SD-CD2 4.03Å; M110-W131 HydrophobicContact SD-CG 3.8Å; E112-W131 HydrophobicContact CG-CB 4.14Å; E129-W131 PolarHBondContact O-N 2.85Å; E129-W131 VanDerWaalsContact OE2-CD1 3.32Å; E129-W131 PolarHBondContact OE2-NE1 2.57Å; W131-I133 VanDerWaalsContact C-N 3.25Å; W131-I133 PolarHBondContact O-N 3.17Å; W131-L134 HydrophobicContact CE3-CD1 3.98Å; W131-L134 HydrophobicContact CZ3-CD1 4.43Å; W131-L134 WeakPolarHBondContact O-CB 3.41Å; W131-L134 PolarHBondContact O-N 2.8Å; W131-H135 PolarHBondContact O-CD2 3.11Å; W131-H135 VanDerWaalsContact O-CD2 3.29Å; W131-H135 PolarHBondContact O-N 3.18Å; W131-G248 VanDerWaalsContact CE3-CA 3.47Å |
| 132 | G | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -67.5 | -24.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | E112 Y114 S127 I130 G136 | E112-G132 WeakPolarHBondContact O-CA 3.17Å; Y114-G132 VanDerWaalsContact CB-O 3.27Å; Y114-G132 WeakPolarHBondContact CB-O 3.45Å; Y114-G132 WeakPolarHBondContact CD1-O 3.44Å; S127-G132 WeakPolarHBondContact OG-CA 3.33Å; I130-G132 PolarHBondContact O-N 3.3Å; G132-G136 PolarHBondContact O-N 2.78Å |
| 133 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -68 | -42.5 | 171.7 | -53.9 | -56.7 | 0 | 0 | 0 | 110.5 | L57 I91 I93 L125 I130 W131 H135 G136 L137 | L57-I133 HydrophobicContact CD1-CG2 4.04Å; I91-I133 HydrophobicContact CD1-CG2 4.39Å; I91-I133 HydrophobicContact CG2-CD1 4.03Å; I91-I133 HydrophobicContact CG2-CG1 4.21Å; I91-I133 HydrophobicContact CG2-CG2 3.9Å; I93-I133 HydrophobicContact CD1-CG1 4.07Å; I93-I133 HydrophobicContact CG1-CD1 4.12Å; I93-I133 HydrophobicContact CG1-CG1 3.62Å; L125-I133 HydrophobicContact CD1-CD1 4.49Å; L125-I133 HydrophobicContact CD2-CD1 4.45Å; L125-I133 HydrophobicContact CD2-CG2 3.8Å; L125-I133 HydrophobicContact CG-CD1 3.91Å; L125-I133 HydrophobicContact CG-CG2 4.42Å; I130-I133 HydrophobicContact CD1-CB 4.15Å; I130-I133 HydrophobicContact CD1-CG1 4.41Å; I130-I133 WeakPolarHBondContact O-CA 3.35Å; I130-I133 VanDerWaalsContact O-CB 3.23Å; I130-I133 WeakPolarHBondContact O-CB 3.36Å; I130-I133 PolarHBondContact O-N 2.67Å; W131-I133 VanDerWaalsContact C-N 3.25Å; W131-I133 PolarHBondContact O-N 3.17Å; I133-H135 VanDerWaalsContact C-N 3.32Å; I133-H135 PolarHBondContact O-N 3.16Å; I133-G136 PolarHBondContact O-N 3.45Å; I133-L137 HydrophobicContact CG2-CD1 4.24Å; I133-L137 HydrophobicContact CG2-CG 4.36Å; I133-L137 WeakPolarHBondContact O-CG 3.36Å; I133-L137 PolarHBondContact O-N 3.2Å |
| 134 | L | 98.9 | Very high | 97.8 | Very high | 10 Ų | 10 | 15.2 Ų | 15.2 | 5% | 0.052 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.1 | -47.5 | 177.2 | -57.4 | -177.1 | 0 | 0 | 0 | 111.2 | I56 A60 I130 W131 L137 E138 | I56-L134 HydrophobicContact CG2-CD1 4.09Å; I56-L134 HydrophobicContact CG2-CD2 4.01Å; I56-L134 HydrophobicContact CG2-CG 4.46Å; A60-L134 HydrophobicContact CB-CD2 3.37Å; I130-L134 PolarHBondContact O-N 2.82Å; W131-L134 HydrophobicContact CE3-CD1 3.98Å; W131-L134 HydrophobicContact CZ3-CD1 4.43Å; W131-L134 WeakPolarHBondContact O-CB 3.41Å; W131-L134 PolarHBondContact O-N 2.8Å; L134-L137 PolarHBondContact O-N 2.94Å; L134-E138 PolarHBondContact O-N 3.38Å |
| 135 | H | 98.7 | Very high | 97.4 | Very high | 7 Ų | 7 | 15 Ų | 15 | 3% | 0.032 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64 | -41 | 176.4 | -63.2 | -38.4 | 0 | 0 | 0 | 112.7 | E112 Y114 W131 I133 L137 E138 T139 K195 W485 | E112-H135 IonicContact OE2-CD2 2.88Å; E112-H135 IonicContact OE2-CE1 2.82Å; E112-H135 IonicContact OE2-NE2 3.51Å; E112-H135 PolarHBondContact OE2-NE2 3.45Å; Y114-H135 HydrophobicContact CD1-CB 3.96Å; Y114-H135 HydrophobicContact CE1-CB 3.56Å; W131-H135 PolarHBondContact O-CD2 3.11Å; W131-H135 VanDerWaalsContact O-CD2 3.29Å; W131-H135 PolarHBondContact O-N 3.18Å; I133-H135 VanDerWaalsContact C-N 3.32Å; I133-H135 PolarHBondContact O-N 3.16Å; H135-L137 PolarHBondContact O-N 3.45Å; H135-E138 PolarHBondContact O-N 3.39Å; H135-T139 PolarHBondContact O-N 3.44Å; H135-T139 PolarHBondContact O-OG1 3.41Å; H135-K195 HydrophobicContact CB-CD 3.94Å; H135-K195 HydrophobicContact CB-CG 4.38Å; H135-W485 HydrophobicContact CB-CH2 4.43Å; H135-W485 AromaticContact CD2-CH2 3.81Å |
| 136 | G | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.6 | -38.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y114 G132 I133 T139 I140 | Y114-G136 VanDerWaalsContact CE2-CA 3.47Å; G132-G136 PolarHBondContact O-N 2.78Å; I133-G136 PolarHBondContact O-N 3.45Å; G136-T139 PolarHBondContact O-N 3.14Å; G136-I140 VanDerWaalsContact O-CG1 3.31Å; G136-I140 WeakPolarHBondContact O-CG1 3.45Å; G136-I140 PolarHBondContact O-N 2.91Å |
| 137 | L | 98.6 | Very high | 96.2 | Very high | 6 Ų | 6 | 13 Ų | 13 | 3% | 0.031 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 173.7 | -71.8 | 172.7 | 0 | 0 | 0 | 111.5 | A60 L61 F64 L125 I133 L134 H135 T139 I140 L141 | A60-L137 HydrophobicContact CB-CD1 3.99Å; L61-L137 HydrophobicContact CD2-CD1 4.13Å; L61-L137 HydrophobicContact CD2-CD2 4.26Å; F64-L137 HydrophobicContact CD2-CB 3.95Å; F64-L137 HydrophobicContact CD2-CD2 3.86Å; F64-L137 HydrophobicContact CD2-CG 4.45Å; F64-L137 HydrophobicContact CE2-CD2 4.22Å; F64-L137 WeakPolarHBondContact CE2-O 3.49Å; F64-L137 HydrophobicContact CG-CD2 4.23Å; L125-L137 HydrophobicContact CD2-CD2 4.09Å; L125-L137 HydrophobicContact CD2-CG 4.01Å; I133-L137 HydrophobicContact CG2-CD1 4.24Å; I133-L137 HydrophobicContact CG2-CG 4.36Å; I133-L137 WeakPolarHBondContact O-CG 3.36Å; I133-L137 PolarHBondContact O-N 3.2Å; L134-L137 PolarHBondContact O-N 2.94Å; H135-L137 PolarHBondContact O-N 3.45Å; L137-T139 VanDerWaalsContact C-N 3.35Å; L137-I140 HydrophobicContact CD2-CD1 4.39Å; L137-I140 PolarHBondContact O-N 3.11Å; L137-L141 PolarHBondContact O-N 2.89Å |
| 138 | E | 97.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 16.8 Ų | 16.8 | 1% | 0.014 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.9 | -37.8 | 174.9 | -173 | 60.5 | -133.1 | 0 | 0 | 111.9 | R67 L134 H135 I140 L141 Q142 M193 R509 | R67-E138 IonicContact NH1-OE2 2.82Å; R67-E138 PolarHBondContact NH1-OE2 2.94Å; L134-E138 PolarHBondContact O-N 3.38Å; H135-E138 PolarHBondContact O-N 3.39Å; E138-I140 VanDerWaalsContact C-N 3.34Å; E138-I140 PolarHBondContact O-N 2.93Å; E138-L141 PolarHBondContact O-N 3.42Å; E138-Q142 WeakPolarHBondContact O-CG 3.22Å; E138-Q142 PolarHBondContact O-N 3.13Å; E138-M193 HydrophobicContact CG-CG 4.42Å; E138-M193 WeakPolarHBondContact CG-O 3.11Å; E138-M193 VanDerWaalsContact OE1-CG 3.32Å; E138-M193 WeakPolarHBondContact OE1-CG 3.02Å; E138-R509 IonicContact OE1-CZ 2.61Å; E138-R509 IonicContact OE1-NH1 3.33Å; E138-R509 IonicContact OE1-NH2 3.68Å; E138-R509 PolarHBondContact OE1-NH2 3.19Å; E138-R509 IonicContact OE2-CZ 3.53Å; E138-R509 IonicContact OE2-NH1 3.1Å; E138-R509 IonicContact OE2-NH2 2.62Å; E138-R509 PolarHBondContact OE2-NH2 3.47Å; E138-R509 VanDerWaalsContact OE2-NH2 3.13Å |
| 139 | T | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 170.9 | -75.5 | 0 | 0 | 0 | 0 | 112.5 | I25 Y114 L116 H135 G136 L137 L141 Q142 L143 I159 | I25-T139 HydrophobicContact CD1-CG2 3.93Å; I25-T139 HydrophobicContact CG2-CG2 4.43Å; Y114-T139 PolarHBondContact OH-OG1 3.49Å; L116-T139 HydrophobicContact CD2-CG2 4.06Å; H135-T139 PolarHBondContact O-N 3.44Å; H135-T139 PolarHBondContact O-OG1 3.41Å; G136-T139 PolarHBondContact O-N 3.14Å; L137-T139 VanDerWaalsContact C-N 3.35Å; T139-L141 VanDerWaalsContact C-N 3.34Å; T139-L141 PolarHBondContact O-N 3.1Å; T139-Q142 PolarHBondContact O-N 3.4Å; T139-L143 HydrophobicContact CG2-CD1 3.77Å; T139-L143 HydrophobicContact CG2-CG 4.36Å; T139-L143 VanDerWaalsContact O-CG 3.23Å; T139-L143 WeakPolarHBondContact O-CG 3.45Å; T139-L143 PolarHBondContact O-N 3.25Å; T139-L143 VanDerWaalsContact O-N 3.07Å; T139-I159 HydrophobicContact CG2-CD1 3.83Å |
| 140 | I | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.3 | -46.4 | 175.4 | -67.1 | 161.6 | 0 | 0 | 0 | 110.2 | F41 F64 I89 L116 I123 L125 G136 L137 E138 Q142 L143 I144 I154 | F41-I140 HydrophobicContact CE2-CG2 4.45Å; F41-I140 HydrophobicContact CZ-CG2 4.27Å; F64-I140 HydrophobicContact CE2-CB 3.93Å; F64-I140 HydrophobicContact CE2-CG2 3.73Å; F64-I140 HydrophobicContact CZ-CB 4.36Å; F64-I140 HydrophobicContact CZ-CG2 3.65Å; I89-I140 HydrophobicContact CD1-CD1 4.46Å; L116-I140 HydrophobicContact CD1-CD1 3.7Å; L116-I140 HydrophobicContact CD1-CG1 3.71Å; L116-I140 HydrophobicContact CD2-CG1 3.74Å; L116-I140 HydrophobicContact CG-CG1 4.4Å; I123-I140 HydrophobicContact CD1-CD1 4.31Å; I123-I140 HydrophobicContact CD1-CG1 4.3Å; I123-I140 HydrophobicContact CD1-CG2 4.01Å; I123-I140 HydrophobicContact CG2-CD1 3.9Å; L125-I140 HydrophobicContact CD2-CD1 4.28Å; G136-I140 VanDerWaalsContact O-CG1 3.31Å; G136-I140 WeakPolarHBondContact O-CG1 3.45Å; G136-I140 PolarHBondContact O-N 2.91Å; L137-I140 HydrophobicContact CD2-CD1 4.39Å; L137-I140 PolarHBondContact O-N 3.11Å; E138-I140 VanDerWaalsContact C-N 3.34Å; E138-I140 PolarHBondContact O-N 2.93Å; I140-Q142 VanDerWaalsContact C-N 3.29Å; I140-Q142 PolarHBondContact O-N 3.33Å; I140-L143 PolarHBondContact O-N 2.92Å; I140-I144 HydrophobicContact CG2-CD1 3.8Å; I140-I144 HydrophobicContact CG2-CG1 4.46Å; I140-I144 WeakPolarHBondContact O-CG1 3.47Å; I140-I144 PolarHBondContact O-N 3.27Å; I140-I154 HydrophobicContact CG2-CD1 4.22Å |
| 141 | L | 95.7 | Very high | 93.6 | Very high | 5 Ų | 5 | 23.2 Ų | 23.2 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.5 | -44.3 | 177 | -71.2 | 170.6 | 0 | 0 | 0 | 111.7 | F64 R67 L68 I71 L137 E138 T139 L143 I144 R505 | F64-L141 HydrophobicContact CD2-CD1 4.04Å; F64-L141 HydrophobicContact CD2-CD2 3.88Å; F64-L141 HydrophobicContact CD2-CG 3.67Å; F64-L141 HydrophobicContact CE2-CD1 4.49Å; F64-L141 HydrophobicContact CE2-CD2 3.76Å; F64-L141 HydrophobicContact CE2-CG 3.64Å; F64-L141 HydrophobicContact CG-CD2 4.48Å; F64-L141 HydrophobicContact CZ-CD2 4.25Å; R67-L141 HydrophobicContact CB-CD1 3.68Å; R67-L141 HydrophobicContact CB-CD2 4.01Å; R67-L141 HydrophobicContact CG-CD1 4.31Å; L68-L141 HydrophobicContact CB-CD2 4.46Å; I71-L141 HydrophobicContact CD1-CD2 4.37Å; L137-L141 PolarHBondContact O-N 2.89Å; E138-L141 PolarHBondContact O-N 3.42Å; T139-L141 VanDerWaalsContact C-N 3.34Å; T139-L141 PolarHBondContact O-N 3.1Å; L141-L143 PolarHBondContact O-N 2.87Å; L141-I144 PolarHBondContact O-N 3.19Å; L141-R505 PolarHBondContact O-NH1 3.25Å |
| 142 | Q | 95.2 | Very high | 93.3 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.9 | -18.1 | 178.6 | -68.1 | -177.9 | 22.2 | 0 | 0 | 114.1 | I25 V26 E138 T139 I140 M193 R505 | I25-Q142 VanDerWaalsContact CA-OE1 3.24Å; V26-Q142 PolarHBondContact O-NE2 2.64Å; V26-Q142 PolarHBondContact O-OE1 2.88Å; E138-Q142 WeakPolarHBondContact O-CG 3.22Å; E138-Q142 PolarHBondContact O-N 3.13Å; T139-Q142 PolarHBondContact O-N 3.4Å; I140-Q142 VanDerWaalsContact C-N 3.29Å; I140-Q142 PolarHBondContact O-N 3.33Å; Q142-M193 PolarHBondContact NE2-O 2.87Å; Q142-R505 PolarHBondContact O-NH2 3.4Å |
| 143 | L | 94 | Very high | 93 | Very high | 13 Ų | 13 | 23.7 Ų | 23.7 | 7% | 0.068 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -91.2 | -12.1 | 176.4 | -70.3 | 169 | 0 | 0 | 0 | 113.6 | I25 L116 I118 T139 I140 L141 Y145 I154 I159 | I25-L143 HydrophobicContact CD1-CD2 4.12Å; I25-L143 HydrophobicContact CD1-CG 4.5Å; I25-L143 HydrophobicContact CG1-CD2 4.04Å; I25-L143 HydrophobicContact CG1-CG 4.43Å; L116-L143 HydrophobicContact CD2-CD1 3.97Å; I118-L143 HydrophobicContact CD1-CD1 4.01Å; T139-L143 HydrophobicContact CG2-CD1 3.77Å; T139-L143 HydrophobicContact CG2-CG 4.36Å; T139-L143 VanDerWaalsContact O-CG 3.23Å; T139-L143 WeakPolarHBondContact O-CG 3.45Å; T139-L143 PolarHBondContact O-N 3.25Å; T139-L143 VanDerWaalsContact O-N 3.07Å; I140-L143 PolarHBondContact O-N 2.92Å; L141-L143 PolarHBondContact O-N 2.87Å; L143-Y145 WeakPolarHBondContact O-CD2 3.02Å; L143-I154 HydrophobicContact CB-CD1 4.08Å; L143-I154 HydrophobicContact CB-CG1 4.04Å; L143-I159 HydrophobicContact CD1-CD1 3.64Å |
| 144 | I | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 136.7 | 179.4 | -63.5 | 160.4 | 0 | 0 | 0 | 109.9 | F41 L68 I71 I140 L141 N152 I153 I154 R505 | F41-I144 HydrophobicContact CD1-CD1 3.62Å; F41-I144 HydrophobicContact CD1-CG1 4.28Å; F41-I144 HydrophobicContact CD2-CD1 4.3Å; F41-I144 HydrophobicContact CE1-CD1 3.44Å; F41-I144 VanDerWaalsContact CE1-CD1 3.44Å; F41-I144 HydrophobicContact CE1-CG1 4.5Å; F41-I144 HydrophobicContact CE2-CD1 4.18Å; F41-I144 HydrophobicContact CG-CD1 4.03Å; F41-I144 HydrophobicContact CG-CG1 4.27Å; F41-I144 HydrophobicContact CZ-CD1 3.73Å; L68-I144 HydrophobicContact CD1-CD1 3.68Å; L68-I144 HydrophobicContact CD1-CG2 4.32Å; I71-I144 HydrophobicContact CD1-CB 3.55Å; I71-I144 HydrophobicContact CD1-CD1 4.36Å; I71-I144 HydrophobicContact CD1-CG2 3.47Å; I71-I144 VanDerWaalsContact CD1-CG2 3.47Å; I71-I144 HydrophobicContact CG2-CG2 4.4Å; I140-I144 HydrophobicContact CG2-CD1 3.8Å; I140-I144 HydrophobicContact CG2-CG1 4.46Å; I140-I144 WeakPolarHBondContact O-CG1 3.47Å; I140-I144 PolarHBondContact O-N 3.27Å; L141-I144 PolarHBondContact O-N 3.19Å; I144-N152 HydrophobicContact CG2-CB 3.9Å; I144-I153 WeakPolarHBondContact CA-O 3.17Å; I144-I154 HydrophobicContact CG1-CB 4.21Å; I144-I154 HydrophobicContact CG1-CD1 4Å; I144-I154 HydrophobicContact CG1-CG1 4.32Å; I144-R505 PolarHBondContact O-NH1 3.14Å; I144-R505 PolarHBondContact O-NH2 2.84Å |
| 145 | Y | 90.7 | Very high | 92.3 | Very high | 21 Ų | 21 | 24.1 Ų | 24.1 | 8% | 0.082 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 170 | 175.6 | -59.2 | -95 | 0 | 0 | 0 | 110.2 | S24 Q73 P75 L143 N152 I153 E501 | S24-Y145 PolarHBondContact N-OH 2.85Å; S24-Y145 PolarHBondContact OG-OH 3.07Å; Q73-Y145 HydrophobicContact CB-CD1 3.94Å; Q73-Y145 HydrophobicContact CB-CE1 4.47Å; Q73-Y145 CarbonylContact O-C 3.49Å; Q73-Y145 VanDerWaalsContact O-CA 3.29Å; Q73-Y145 WeakPolarHBondContact O-CA 3.21Å; Q73-Y145 WeakPolarHBondContact O-CB 3.18Å; P75-Y145 HydrophobicContact CB-CD1 4.17Å; P75-Y145 HydrophobicContact CB-CD2 4.26Å; P75-Y145 HydrophobicContact CB-CG 3.82Å; P75-Y145 HydrophobicContact CG-CG 4.41Å; L143-Y145 WeakPolarHBondContact O-CD2 3.02Å; Y145-N152 CarbonylContact O-C 3.58Å; Y145-N152 WeakPolarHBondContact O-CA 3.13Å; Y145-I153 PolarHBondContact N-O 3.41Å; Y145-I153 PolarHBondContact O-N 2.98Å; Y145-E501 HydrophobicContact CE1-CG 4.4Å; Y145-E501 VanDerWaalsContact CE1-OE1 3.3Å; Y145-E501 WeakPolarHBondContact CE1-OE1 3.3Å |
| 146 | R | 87.9 | Confident | 92 | Very high | 56 Ų | 56 | 23.8 Ų | 23.8 | 21% | 0.211 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.7 | 174.2 | -67.5 | -164.4 | -178.3 | -173.1 | -0.6 | 112.4 | I71 Q73 Y74 P75 E150 R151 | I71-R146 PolarHBondContact O-NE 3.4Å; I71-R146 PolarHBondContact O-NH2 3.38Å; Q73-R146 PolarHBondContact O-N 3.16Å; Y74-R146 HydrophobicContact CD1-CB 4.13Å; Y74-R146 WeakPolarHBondContact CD1-O 3.38Å; Y74-R146 HydrophobicContact CE1-CB 4.17Å; P75-R146 WeakPolarHBondContact CD-O 3.39Å; R146-E150 WeakPolarHBondContact CD-OE2 3.43Å; R146-E150 IonicContact CZ-OE2 3.71Å; R146-E150 IonicContact NE-OE2 3.26Å; R146-E150 IonicContact NH1-OE2 3.86Å; R146-E150 PolarHBondContact NH1-OE2 2.89Å; R146-R151 CarbonylContact C-O 3.57Å; R146-R151 WeakPolarHBondContact CA-O 3.21Å |
| 147 | D | 85.1 | Confident | 91.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -70.5 | 172.8 | 169.1 | 84 | -8.7 | 0 | 0 | 0 | 111.8 | L149 E150 R151 I153 | D147-L149 PolarHBondContact O-N 3.03Å; D147-L149 VanDerWaalsContact OD1-C 3.27Å; D147-L149 VanDerWaalsContact OD1-CA 3.29Å; D147-L149 WeakPolarHBondContact OD1-CA 3.31Å; D147-L149 WeakPolarHBondContact OD1-CB 3.45Å; D147-L149 PolarHBondContact OD1-N 3.49Å; D147-E150 PolarHBondContact O-N 2.99Å; D147-E150 PolarHBondContact OD1-N 2.94Å; D147-R151 PolarHBondContact N-O 3.22Å; D147-R151 WeakPolarHBondContact OD1-CB 3.39Å; D147-R151 PolarHBondContact OD1-N 3.43Å; D147-R151 IonicContact OD1-NE 3.74Å; D147-R151 IonicContact OD2-CZ 2.68Å; D147-R151 IonicContact OD2-NE 3.62Å; D147-R151 PolarHBondContact OD2-NE 2.82Å; D147-R151 IonicContact OD2-NH2 2.73Å; D147-R151 PolarHBondContact OD2-NH2 3.01Å; D147-I153 HydrophobicContact CB-CD1 4.19Å; D147-I153 HydrophobicContact CB-CG2 3.96Å | ||
| 148 | P | 81.8 | Confident | 91.8 | Very high | 84 Ų | 84 | 27.6 Ų | 27.6 | 55% | 0.545 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -8.9 | 177.7 | -25.6 | 35.9 | 0 | 0 | 0 | 115.6 | ||
| 149 | L | 83.8 | Confident | 91.8 | Very high | 109 Ų | 109 | 27.5 Ų | 27.5 | 57% | 0.571 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 16.9 | 174.9 | -58.8 | 177.7 | 0 | 0 | 0 | 111.4 | L81 D147 R151 | L81-L149 HydrophobicContact CD1-CD1 4.34Å; D147-L149 PolarHBondContact O-N 3.03Å; D147-L149 VanDerWaalsContact OD1-C 3.27Å; D147-L149 VanDerWaalsContact OD1-CA 3.29Å; D147-L149 WeakPolarHBondContact OD1-CA 3.31Å; D147-L149 WeakPolarHBondContact OD1-CB 3.45Å; D147-L149 PolarHBondContact OD1-N 3.49Å; L149-R151 HydrophobicContact CB-CG 4.32Å; L149-R151 PolarHBondContact O-N 2.84Å |
| 150 | E | 85.9 | Confident | 91.8 | Very high | 81 Ų | 81 | 31 Ų | 31 | 38% | 0.379 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 63.5 | 17.2 | -178.6 | -58.9 | -63.4 | 145.2 | 0 | 0 | 114.7 | Y74 R146 D147 | Y74-E150 VanDerWaalsContact CE1-OE1 3.32Å; Y74-E150 WeakPolarHBondContact CE1-OE1 3.23Å; Y74-E150 VanDerWaalsContact CZ-OE1 3.31Å; Y74-E150 VanDerWaalsContact OH-CD 3.29Å; Y74-E150 PolarHBondContact OH-OE1 3.25Å; Y74-E150 PolarHBondContact OH-OE2 3.24Å; R146-E150 WeakPolarHBondContact CD-OE2 3.43Å; R146-E150 IonicContact CZ-OE2 3.71Å; R146-E150 IonicContact NE-OE2 3.26Å; R146-E150 IonicContact NH1-OE2 3.86Å; R146-E150 PolarHBondContact NH1-OE2 2.89Å; D147-E150 PolarHBondContact O-N 2.99Å; D147-E150 PolarHBondContact OD1-N 2.94Å |
| 151 | R | 88.8 | Confident | 91.8 | Very high | 85 Ų | 85 | 31.5 Ų | 31.5 | 32% | 0.321 | 16% | 0.157 | S | C | . | . | trans | -88.8 | 136.8 | 179.8 | -57.9 | 177.8 | -63 | 175.1 | 5.2 | 110.3 | R146 D147 L149 I153 | R146-R151 CarbonylContact C-O 3.57Å; R146-R151 WeakPolarHBondContact CA-O 3.21Å; D147-R151 PolarHBondContact N-O 3.22Å; D147-R151 WeakPolarHBondContact OD1-CB 3.39Å; D147-R151 PolarHBondContact OD1-N 3.43Å; D147-R151 IonicContact OD1-NE 3.74Å; D147-R151 IonicContact OD2-CZ 2.68Å; D147-R151 IonicContact OD2-NE 3.62Å; D147-R151 PolarHBondContact OD2-NE 2.82Å; D147-R151 IonicContact OD2-NH2 2.73Å; D147-R151 PolarHBondContact OD2-NH2 3.01Å; L149-R151 HydrophobicContact CB-CG 4.32Å; L149-R151 PolarHBondContact O-N 2.84Å; R151-I153 PolarHBondContact O-N 3.27Å | ||
| 152 | N | 92.2 | Very high | 91.9 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 8% | 0.08 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 131.2 | 171.6 | -70.9 | -29.8 | 0 | 0 | 0 | 110.2 | N40 F41 I144 Y145 | N40-N152 CarbonylContact C-O 3.59Å; F41-N152 HydrophobicContact CB-CB 4.01Å; F41-N152 PolarHBondContact N-O 3.41Å; F41-N152 WeakPolarHBondContact O-CB 3.49Å; I144-N152 HydrophobicContact CG2-CB 3.9Å; Y145-N152 CarbonylContact O-C 3.58Å; Y145-N152 WeakPolarHBondContact O-CA 3.13Å |
| 153 | I | 92.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.5 | 176 | 67.4 | 169.8 | 0 | 0 | 0 | 110.8 | Y38 Y39 P75 P78 P82 I144 Y145 D147 R151 | Y38-I153 HydrophobicContact CD1-CD1 3.99Å; Y38-I153 HydrophobicContact CE1-CD1 4.5Å; Y39-I153 CarbonylContact O-C 3.51Å; Y39-I153 VanDerWaalsContact O-CA 3.24Å; Y39-I153 WeakPolarHBondContact O-CA 3.16Å; P75-I153 HydrophobicContact CG-CD1 3.86Å; P75-I153 HydrophobicContact CG-CG1 4.44Å; P78-I153 HydrophobicContact CG-CD1 3.51Å; P82-I153 HydrophobicContact CG-CB 4.48Å; P82-I153 HydrophobicContact CG-CG2 3.9Å; I144-I153 WeakPolarHBondContact CA-O 3.17Å; Y145-I153 PolarHBondContact N-O 3.41Å; Y145-I153 PolarHBondContact O-N 2.98Å; D147-I153 HydrophobicContact CB-CD1 4.19Å; D147-I153 HydrophobicContact CB-CG2 3.96Å; R151-I153 PolarHBondContact O-N 3.27Å |
| 154 | I | 92.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 142 | 177.6 | -168.1 | 171.3 | 0 | 0 | 0 | 110.4 | Y38 Y39 F41 I86 I118 I123 I140 L143 I144 | Y38-I154 WeakPolarHBondContact CA-O 3.35Å; Y39-I154 PolarHBondContact N-O 3.15Å; Y39-I154 PolarHBondContact O-N 2.96Å; F41-I154 HydrophobicContact CB-CG2 4.25Å; F41-I154 HydrophobicContact CD2-CB 4.44Å; F41-I154 HydrophobicContact CD2-CG2 3.84Å; F41-I154 HydrophobicContact CG-CG2 4.46Å; I86-I154 HydrophobicContact CD1-CG2 3.77Å; I118-I154 HydrophobicContact CD1-CD1 3.73Å; I118-I154 HydrophobicContact CD1-CG1 4.12Å; I118-I154 HydrophobicContact CG2-CG2 4.34Å; I123-I154 HydrophobicContact CD1-CD1 3.95Å; I140-I154 HydrophobicContact CG2-CD1 4.22Å; L143-I154 HydrophobicContact CB-CD1 4.08Å; L143-I154 HydrophobicContact CB-CG1 4.04Å; I144-I154 HydrophobicContact CG1-CB 4.21Å; I144-I154 HydrophobicContact CG1-CD1 4Å; I144-I154 HydrophobicContact CG1-CG1 4.32Å |
| 155 | E | 90.9 | Very high | 92.4 | Very high | 18 Ų | 18 | 35 Ų | 35 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 135.8 | 176 | -165.4 | -176.1 | -172.4 | 0 | 0 | 111.3 | Y23 K34 G36 Y38 I118 | Y23-E155 WeakPolarHBondContact CD1-OE2 3.1Å; Y23-E155 WeakPolarHBondContact CE1-OE2 3.49Å; K34-E155 WeakPolarHBondContact CB-OE1 3.13Å; K34-E155 VanDerWaalsContact CD-OE2 3.28Å; K34-E155 WeakPolarHBondContact CD-OE2 3.24Å; G36-E155 WeakPolarHBondContact CA-OE1 3.45Å; G36-E155 PolarHBondContact N-OE1 3.33Å; G36-E155 VanDerWaalsContact N-OE1 3.1Å; Y38-E155 HydrophobicContact CD1-CB 4.1Å; Y38-E155 HydrophobicContact CE1-CB 3.83Å; Y38-E155 HydrophobicContact CE1-CG 4.2Å; Y38-E155 HydrophobicContact CE2-CG 4.3Å; I118-E155 WeakPolarHBondContact CD1-O 3.16Å |
| 156 | G | 92.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 144.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T35 I37 I118 | T35-G156 WeakPolarHBondContact CB-O 3.37Å; T35-G156 PolarHBondContact N-O 3.28Å; T35-G156 WeakPolarHBondContact OG1-CA 3.46Å; T35-G156 PolarHBondContact OG1-O 3.11Å; I37-G156 PolarHBondContact O-N 2.89Å; I118-G156 VanDerWaalsContact O-CA 3.31Å; I118-G156 WeakPolarHBondContact O-CA 3.31Å |
| 157 | G | 94.1 | Very high | 93.3 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 6% | 0.062 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.6 | -178.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | H33 I118 | H33-G157 CarbonylContact O-C 3.44Å; H33-G157 WeakPolarHBondContact O-CA 3.44Å; I118-G157 PolarHBondContact N-O 3.29Å; I118-G157 PolarHBondContact O-N 2.97Å; I118-G157 VanDerWaalsContact O-N 3.16Å |
| 158 | I | 97.6 | Very high | 93.9 | Very high | 79 Ų | 79 | 35.1 Ų | 35.1 | 41% | 0.405 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 127.5 | 173.9 | -61.6 | 165 | 0 | 0 | 0 | 107.9 | H33 L116 I117 | H33-I158 PolarHBondContact N-O 3.08Å; H33-I158 PolarHBondContact O-N 3.3Å; L116-I158 CarbonylContact O-C 3.59Å; L116-I158 WeakPolarHBondContact O-CA 3.5Å; I117-I158 HydrophobicContact CG1-CG1 4.44Å; I117-I158 HydrophobicContact CG2-CG1 4.35Å |
| 159 | I | 97.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 134.1 | 172.3 | -65.9 | 169.4 | 0 | 0 | 0 | 109 | I25 A29 K31 H32 S115 L116 T139 L143 D161 | I25-I159 HydrophobicContact CD1-CD1 3.58Å; A29-I159 HydrophobicContact CB-CG2 3.78Å; K31-I159 VanDerWaalsContact O-CA 3.26Å; K31-I159 WeakPolarHBondContact O-CA 3.35Å; H32-I159 HydrophobicContact CB-CG1 4.12Å; H32-I159 VanDerWaalsContact CD2-CG1 3.5Å; H32-I159 WeakPolarHBondContact CD2-CG1 3.48Å; S115-I159 CarbonylContact C-O 3.45Å; S115-I159 VanDerWaalsContact CA-O 3.3Å; S115-I159 WeakPolarHBondContact CA-O 3.48Å; L116-I159 HydrophobicContact CB-CB 4.16Å; L116-I159 HydrophobicContact CD2-CD1 4.25Å; L116-I159 PolarHBondContact N-O 3.29Å; L116-I159 PolarHBondContact O-N 3.4Å; T139-I159 HydrophobicContact CG2-CD1 3.83Å; L143-I159 HydrophobicContact CD1-CD1 3.64Å; I159-D161 HydrophobicContact CG2-CB 3.95Å |
| 160 | L | 98.2 | Very high | 95.5 | Very high | 74 Ų | 74 | 26 Ų | 26 | 39% | 0.387 | 14% | 0.138 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124.5 | 165 | -55.4 | 175.1 | 0 | 0 | 0 | 106 | Y30 K31 | Y30-L160 WeakPolarHBondContact CB-O 3.42Å; K31-L160 HydrophobicContact CB-CB 4.24Å; K31-L160 HydrophobicContact CD-CD1 4.21Å; K31-L160 PolarHBondContact N-O 2.95Å; K31-L160 PolarHBondContact O-N 3.5Å |
| 161 | D | 98 | Very high | 96.1 | Very high | 9 Ų | 9 | 22.1 Ų | 22.1 | 5% | 0.048 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 159.6 | -172.8 | -156.1 | 14.7 | 0 | 0 | 0 | 112.5 | A29 Y30 T113 Y114 I159 K195 W485 | A29-D161 VanDerWaalsContact CA-CG 3.47Å; A29-D161 WeakPolarHBondContact CA-OD1 3.19Å; A29-D161 WeakPolarHBondContact CA-OD2 3.13Å; A29-D161 HydrophobicContact CB-CB 4.15Å; Y30-D161 PolarHBondContact N-OD1 3.38Å; T113-D161 WeakPolarHBondContact CA-O 3.42Å; Y114-D161 HydrophobicContact CD1-CB 4.36Å; Y114-D161 HydrophobicContact CE1-CB 3.71Å; Y114-D161 HydrophobicContact CE2-CB 4.06Å; Y114-D161 PolarHBondContact N-O 3.27Å; Y114-D161 PolarHBondContact O-N 2.83Å; Y114-D161 PolarHBondContact OH-OD2 3.13Å; I159-D161 HydrophobicContact CG2-CB 3.95Å; D161-K195 IonicContact OD2-NZ 2.92Å; D161-W485 VanDerWaalsContact CG-NE1 3.31Å; D161-W485 PolarHBondContact OD1-NE1 2.88Å; D161-W485 PolarHBondContact OD2-NE1 3.11Å |
| 162 | G | 98 | Very high | 96.6 | Very high | 14 Ų | 14 | 18 Ų | 18 | 14% | 0.144 | 10% | 0.104 | C | C | . | . | trans | 171.8 | 161.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111 | W485 | G162-W485 VanDerWaalsContact C-CZ2 3.47Š| ||
| 163 | P | 98.1 | Very high | 96.9 | Very high | 37 Ų | 37 | 17.5 Ų | 17.5 | 24% | 0.24 | 10% | 0.101 | C | C | . | . | trans | -76.9 | 145.7 | -174.5 | 30.6 | -35.3 | 0 | 0 | 0 | 112.9 | E112 F165 W485 | E112-P163 HydrophobicContact CB-CG 4.01Å; P163-F165 WeakPolarHBondContact CB-O 3.35Å; P163-W485 HydrophobicContact CB-CD2 4.24Å; P163-W485 HydrophobicContact CB-CE3 3.64Å; P163-W485 HydrophobicContact CB-CH2 4.37Å; P163-W485 HydrophobicContact CB-CZ3 3.7Å; P163-W485 HydrophobicContact CG-CZ3 4.14Å | ||
| 164 | L | 97.2 | Very high | 97.2 | Very high | 36 Ų | 36 | 17.4 Ų | 17.4 | 19% | 0.188 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -70.3 | -42.8 | 166.3 | 177.4 | 56.1 | 0 | 0 | 0 | 112.2 | W485 E487 | L164-W485 VanDerWaalsContact CB-O 3.31Å; L164-W485 WeakPolarHBondContact CB-O 3.37Å; L164-W485 PolarHBondContact N-O 3.02Å; L164-E487 HydrophobicContact CD1-CG 3.66Å; L164-E487 HydrophobicContact CD2-CG 4.46Å; L164-E487 HydrophobicContact CG-CG 4.42Å |
| 165 | F | 98.1 | Very high | 97.5 | Very high | 8 Ų | 8 | 17.4 Ų | 17.4 | 4% | 0.035 | 10% | 0.101 | C | C | . | . | trans | -114.8 | 136.3 | 178.5 | -66.2 | -87.2 | 0 | 0 | 0 | 111.6 | P163 H167 R168 P439 R440 V452 G454 L484 | P163-F165 WeakPolarHBondContact CB-O 3.35Å; F165-H167 VanDerWaalsContact C-N 3.34Å; F165-R168 WeakPolarHBondContact O-CD 3.35Å; F165-R168 VanDerWaalsContact O-CG 3.29Å; F165-R168 WeakPolarHBondContact O-CG 3.4Å; F165-R168 PolarHBondContact O-NH1 2.97Å; F165-P439 HydrophobicContact CE2-CG 4.39Å; F165-P439 HydrophobicContact CZ-CG 3.94Å; F165-R440 HydrophobicContact CE1-CG 4.22Å; F165-R440 HydrophobicContact CZ-CG 3.92Å; F165-V452 HydrophobicContact CE1-CB 4.41Å; F165-V452 HydrophobicContact CE1-CG1 3.96Å; F165-G454 VanDerWaalsContact CD1-CA 3.5Å; F165-L484 HydrophobicContact CB-CD2 4.31Å; F165-L484 HydrophobicContact CD2-CD2 3.9Å; F165-L484 HydrophobicContact CE2-CD2 4.43Å; F165-L484 HydrophobicContact CG-CD2 4.2Å; F165-L484 PolarHBondContact N-O 3.41Å | ||
| 166 | P | 97.6 | Very high | 97.8 | Very high | 71 Ų | 71 | 18 Ų | 18 | 46% | 0.461 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -69.4 | -30.7 | 178 | 28.4 | -35.5 | 0 | 0 | 0 | 112.7 | R168 N197 V453 | P166-R168 PolarHBondContact O-NH1 3.42Å; P166-N197 PolarHBondContact O-ND2 3.46Å; P166-V453 VanDerWaalsContact CD-O 3.27Å; P166-V453 WeakPolarHBondContact CD-O 3.23Å; P166-V453 WeakPolarHBondContact CG-O 3.4Å |
| 167 | H | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 21.3 Ų | 21.3 | 3% | 0.032 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 114.7 | 178.3 | -168 | 110.6 | 0 | 0 | 0 | 110.9 | F165 W314 L415 V453 G454 G455 E456 | F165-H167 VanDerWaalsContact C-N 3.34Å; H167-W314 AromaticContact ND1-CE3 3.98Å; H167-W314 AromaticContact ND1-CZ3 3.8Å; H167-L415 HydrophobicContact CB-CD1 4.32Å; H167-L415 WeakPolarHBondContact CD2-CD1 3.47Å; H167-V453 PolarHBondContact N-O 2.7Å; H167-G454 WeakPolarHBondContact O-CA 3.33Å; H167-G455 PolarHBondContact O-N 2.87Å; H167-E456 IonicContact CD2-OE1 2.89Å; H167-E456 IonicContact CE1-OE1 3.6Å; H167-E456 IonicContact NE2-OE1 3.43Å; H167-E456 PolarHBondContact NE2-OE1 2.85Å |
| 168 | R | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 86.7 | -178.2 | -49.6 | -176.8 | -63.2 | -67.1 | -7.4 | 109.2 | E112 F165 P166 K195 M196 N197 V198 L484 | E112-R168 IonicContact OE1-CZ 2.71Å; E112-R168 VanDerWaalsContact OE1-CZ 3.31Å; E112-R168 IonicContact OE1-NH1 3.02Å; E112-R168 PolarHBondContact OE1-NH1 2.92Å; E112-R168 IonicContact OE1-NH2 2.89Å; E112-R168 PolarHBondContact OE1-NH2 2.7Å; E112-R168 IonicContact OE2-CZ 3.11Å; E112-R168 IonicContact OE2-NH1 3.08Å; E112-R168 IonicContact OE2-NH2 3.72Å; E112-R168 PolarHBondContact OE2-NH2 3.41Å; F165-R168 WeakPolarHBondContact O-CD 3.35Å; F165-R168 VanDerWaalsContact O-CG 3.29Å; F165-R168 WeakPolarHBondContact O-CG 3.4Å; F165-R168 PolarHBondContact O-NH1 2.97Å; P166-R168 PolarHBondContact O-NH1 3.42Å; R168-K195 PolarHBondContact NE-O 3.19Å; R168-K195 PolarHBondContact NH2-O 2.82Å; R168-M196 VanDerWaalsContact C-CE 3.47Å; R168-M196 HydrophobicContact CB-CE 4.32Å; R168-M196 HydrophobicContact CB-SD 3.79Å; R168-M196 WeakPolarHBondContact O-CE 3.49Å; R168-N197 WeakPolarHBondContact CA-OD1 3.39Å; R168-N197 WeakPolarHBondContact CB-OD1 3.22Å; R168-N197 PolarHBondContact N-OD1 2.84Å; R168-N197 PolarHBondContact NH1-ND2 3.49Å; R168-N197 PolarHBondContact NH2-ND2 2.93Å; R168-N197 PolarHBondContact O-N 2.95Å; R168-N197 PolarHBondContact O-OD1 3.21Å; R168-V198 PolarHBondContact O-N 3.15Å; R168-L484 HydrophobicContact CB-CB 4.2Å; R168-L484 HydrophobicContact CB-CD1 4.2Å; R168-L484 WeakPolarHBondContact CD-O 3.25Å; R168-L484 HydrophobicContact CG-CB 3.82Å |
| 169 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 155.4 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | M196 V198 G455 E456 A457 | G169-M196 WeakPolarHBondContact O-CE 3.39Å; G169-V198 CarbonylContact C-O 3.55Å; G169-V198 WeakPolarHBondContact CA-O 3.48Å; G169-G455 PolarHBondContact N-O 3.34Å; G169-E456 CarbonylContact O-C 3.57Å; G169-E456 WeakPolarHBondContact O-CA 3.09Å; G169-E456 WeakPolarHBondContact O-CB 3.38Å; G169-A457 PolarHBondContact O-N 2.96Å |
| 170 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 116.9 | 166.9 | -147.6 | -48 | 0 | 0 | 0 | 107.8 | F187 M191 M196 V198 H200 L422 A457 I459 W474 | F170-F187 HydrophobicContact CB-CE1 4.11Å; F170-F187 AromaticContact CD1-CE1 3.76Å; F170-F187 HydrophobicContact CD1-CE1 3.76Å; F170-F187 AromaticContact CD1-CZ 3.64Å; F170-F187 HydrophobicContact CD1-CZ 3.64Å; F170-F187 HydrophobicContact CD2-CE1 4.07Å; F170-F187 HydrophobicContact CD2-CZ 4.07Å; F170-F187 HydrophobicContact CE1-CE1 4.17Å; F170-F187 AromaticContact CE1-CZ 3.55Å; F170-F187 HydrophobicContact CE1-CZ 3.55Å; F170-F187 HydrophobicContact CE2-CE1 4.42Å; F170-F187 AromaticContact CE2-CZ 3.96Å; F170-F187 HydrophobicContact CE2-CZ 3.96Å; F170-F187 AromaticContact CG-CE1 3.71Å; F170-F187 HydrophobicContact CG-CE1 3.71Å; F170-F187 AromaticContact CG-CZ 3.91Å; F170-F187 HydrophobicContact CG-CZ 3.91Å; F170-F187 HydrophobicContact CZ-CE1 4.44Å; F170-F187 AromaticContact CZ-CZ 3.67Å; F170-F187 HydrophobicContact CZ-CZ 3.67Å; F170-M191 HydrophobicContact CB-CE 3.91Å; F170-M191 HydrophobicContact CB-CG 4.33Å; F170-M191 HydrophobicContact CB-SD 4Å; F170-M196 HydrophobicContact CB-CE 4.47Å; F170-V198 PolarHBondContact N-O 3.35Å; F170-H200 PolarHBondContact O-N 2.85Å; F170-L422 HydrophobicContact CE1-CD2 4.4Å; F170-L422 HydrophobicContact CE2-CD2 4.42Å; F170-L422 HydrophobicContact CZ-CD2 3.67Å; F170-A457 CarbonylContact C-O 3.46Å; F170-A457 VanDerWaalsContact CA-O 3.31Å; F170-A457 WeakPolarHBondContact CA-O 3.42Å; F170-A457 HydrophobicContact CD1-CB 3.98Å; F170-A457 HydrophobicContact CD2-CB 3.94Å; F170-A457 HydrophobicContact CE1-CB 3.91Å; F170-A457 HydrophobicContact CE2-CB 3.92Å; F170-A457 HydrophobicContact CG-CB 3.99Å; F170-A457 HydrophobicContact CZ-CB 3.92Å; F170-I459 HydrophobicContact CD1-CG2 4.23Å; F170-I459 HydrophobicContact CE1-CB 4.04Å; F170-I459 HydrophobicContact CE1-CG2 3.64Å; F170-W474 AromaticContact CD2-CH2 3.84Å; F170-W474 HydrophobicContact CD2-CH2 3.84Å; F170-W474 AromaticContact CD2-CZ2 3.71Å; F170-W474 HydrophobicContact CD2-CZ2 3.71Å; F170-W474 AromaticContact CE2-CH2 3.62Å; F170-W474 HydrophobicContact CE2-CH2 3.62Å; F170-W474 AromaticContact CE2-CZ2 3.46Å; F170-W474 HydrophobicContact CE2-CZ2 3.46Å; F170-W474 VanDerWaalsContact CE2-CZ2 3.46Å; F170-W474 HydrophobicContact CE2-CZ3 4.31Å; F170-W474 HydrophobicContact CZ-CZ2 4.46Å |
| 171 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 124.2 | 175.6 | -178.7 | 160.2 | 0 | 0 | 0 | 110.1 | H200 H202 W376 A457 A458 I459 W460 | L171-H200 CarbonylContact C-O 3.57Å; L171-H200 WeakPolarHBondContact CA-O 2.82Å; L171-H200 HydrophobicContact CB-CB 4.03Å; L171-H200 HydrophobicContact CG-CB 4.48Å; L171-H202 HydrophobicContact CD2-CB 4.44Å; L171-W376 HydrophobicContact CD1-CH2 3.9Å; L171-W376 HydrophobicContact CD1-CZ2 4.07Å; L171-A457 PolarHBondContact N-O 3.07Å; L171-A458 HydrophobicContact CB-CB 4.18Å; L171-I459 VanDerWaalsContact O-CG2 3.28Å; L171-I459 WeakPolarHBondContact O-CG2 3.34Å; L171-I459 PolarHBondContact O-N 3.37Å; L171-W460 HydrophobicContact CD1-CH2 3.67Å; L171-W460 HydrophobicContact CD1-CZ2 3.55Å; L171-W460 HydrophobicContact CD1-CZ3 4.28Å; L171-W460 HydrophobicContact CD2-CD2 3.87Å; L171-W460 HydrophobicContact CD2-CE3 3.89Å; L171-W460 HydrophobicContact CD2-CG 4.49Å; L171-W460 HydrophobicContact CD2-CH2 4.24Å; L171-W460 HydrophobicContact CD2-CZ2 4.23Å; L171-W460 HydrophobicContact CD2-CZ3 4.07Å |
| 172 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150.7 | 164.9 | 68.1 | 172.1 | 0 | 0 | 0 | 109.9 | L179 I184 F187 L199 H200 W201 H202 I459 L469 | I172-L179 HydrophobicContact CB-CD1 4.39Å; I172-L179 HydrophobicContact CD1-CD1 4.18Å; I172-I184 HydrophobicContact CD1-CG1 4.18Å; I172-I184 HydrophobicContact CD1-CG2 4.48Å; I172-F187 HydrophobicContact CG2-CD1 3.77Å; I172-F187 HydrophobicContact CG2-CE1 3.43Å; I172-F187 VanDerWaalsContact CG2-CE1 3.43Å; I172-F187 HydrophobicContact CG2-CE2 4.39Å; I172-F187 HydrophobicContact CG2-CG 4.38Å; I172-F187 HydrophobicContact CG2-CZ 3.78Å; I172-L199 HydrophobicContact CD1-CD1 3.85Å; I172-L199 HydrophobicContact CD1-CD2 4.08Å; I172-L199 HydrophobicContact CD1-CG 4.37Å; I172-L199 HydrophobicContact CG1-CD1 3.84Å; I172-L199 HydrophobicContact CG1-CG 4.37Å; I172-L199 HydrophobicContact CG2-CD1 4.09Å; I172-H200 PolarHBondContact N-O 2.93Å; I172-W201 HydrophobicContact CG1-CG 4.5Å; I172-H202 WeakPolarHBondContact O-CB 3.44Å; I172-H202 PolarHBondContact O-N 3.08Å; I172-I459 HydrophobicContact CG2-CG2 4.02Å; I172-L469 HydrophobicContact CG2-CD1 4.41Å |
| 173 | D | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 2% | 0.016 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 122.4 | -176.9 | 176.7 | -16.9 | 0 | 0 | 0 | 110.2 | S175 R176 H202 W460 G461 | D173-S175 PolarHBondContact OD1-N 2.97Å; D173-S175 PolarHBondContact OD1-OG 3.32Å; D173-R176 PolarHBondContact OD1-N 3.16Å; D173-R176 IonicContact OD1-NH1 3.66Å; D173-R176 WeakPolarHBondContact OD2-CD 3.47Å; D173-R176 IonicContact OD2-CZ 3.95Å; D173-R176 IonicContact OD2-NE 3.72Å; D173-R176 IonicContact OD2-NH1 3.55Å; D173-R176 PolarHBondContact OD2-NH1 2.61Å; D173-H202 WeakPolarHBondContact CA-O 3.46Å; D173-H202 HydrophobicContact CB-CB 4.44Å; D173-H202 IonicContact OD1-CD2 3.44Å; D173-W460 HydrophobicContact CB-CE3 4.24Å; D173-G461 PolarHBondContact OD2-N 2.87Å |
| 174 | T | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -111.2 | 4 | 178.1 | 57.9 | 0 | 0 | 0 | 0 | 113.8 | H177 L179 I184 W201 H202 I203 Y232 | T174-H177 CarbonylContact C-O 3.56Å; T174-H177 VanDerWaalsContact CA-O 3.28Å; T174-H177 WeakPolarHBondContact CA-O 3.16Å; T174-H177 VanDerWaalsContact O-O 3.14Å; T174-L179 HydrophobicContact CG2-CB 3.86Å; T174-L179 HydrophobicContact CG2-CD1 3.79Å; T174-L179 HydrophobicContact CG2-CG 3.86Å; T174-I184 HydrophobicContact CG2-CD1 4.5Å; T174-W201 HydrophobicContact CG2-CZ2 4.39Å; T174-W201 PolarHBondContact OG1-NE1 2.99Å; T174-H202 PolarHBondContact N-O 3.28Å; T174-H202 PolarHBondContact OG1-O 3.41Å; T174-I203 WeakPolarHBondContact OG1-CA 3.48Å; T174-I203 PolarHBondContact OG1-O 3.17Å; T174-Y232 WeakPolarHBondContact CB-OH 3.47Å; T174-Y232 HydrophobicContact CG2-CE2 4.2Å; T174-Y232 VanDerWaalsContact CG2-OH 3.22Å; T174-Y232 WeakPolarHBondContact CG2-OH 3.43Å | ||
| 175 | S | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -92.8 | -38.6 | -174.5 | 64.9 | 0 | 0 | 0 | 0 | 112 | D173 H202 V204 D205 Q207 S208 F225 | D173-S175 PolarHBondContact OD1-N 2.97Å; D173-S175 PolarHBondContact OD1-OG 3.32Å; S175-H202 PolarHBondContact OG-CD2 3.3Å; S175-H202 PolarHBondContact OG-NE2 2.97Å; S175-V204 VanDerWaalsContact CB-C 3.44Å; S175-D205 WeakPolarHBondContact OG-CB 3.15Å; S175-Q207 WeakPolarHBondContact O-CB 3.31Å; S175-S208 WeakPolarHBondContact O-CB 3.35Å; S175-S208 PolarHBondContact O-N 3.39Å; S175-F225 WeakPolarHBondContact O-CE2 3.23Å; S175-F225 WeakPolarHBondContact O-CZ 3.41Å |
| 176 | R | 98.5 | Very high | 98.6 | Very high | 30 Ų | 30 | 26.2 Ų | 26.2 | 11% | 0.113 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -74.6 | -36.1 | 175.2 | -76.5 | 94.1 | -174.7 | 162.7 | -0.7 | 112.6 | D173 H202 D205 Q207 F225 G461 | D173-R176 PolarHBondContact OD1-N 3.16Å; D173-R176 IonicContact OD1-NH1 3.66Å; D173-R176 WeakPolarHBondContact OD2-CD 3.47Å; D173-R176 IonicContact OD2-CZ 3.95Å; D173-R176 IonicContact OD2-NE 3.72Å; D173-R176 IonicContact OD2-NH1 3.55Å; D173-R176 PolarHBondContact OD2-NH1 2.61Å; R176-H202 PolarHBondContact NH1-CD2 2.55Å; R176-H202 PolarHBondContact NH1-NE2 2.89Å; R176-D205 IonicContact CZ-OD1 3.93Å; R176-D205 IonicContact CZ-OD2 3.79Å; R176-D205 IonicContact NH1-OD2 3.82Å; R176-D205 PolarHBondContact NH1-OD2 3.37Å; R176-D205 VanDerWaalsContact NH1-OD2 3.16Å; R176-D205 IonicContact NH2-OD1 3.56Å; R176-D205 PolarHBondContact NH2-OD1 3.18Å; R176-D205 IonicContact NH2-OD2 2.82Å; R176-D205 PolarHBondContact NH2-OD2 2.95Å; R176-Q207 HydrophobicContact CG-CG 4.35Å; R176-F225 VanDerWaalsContact O-CZ 3.24Å; R176-F225 WeakPolarHBondContact O-CZ 3.47Å; R176-G461 WeakPolarHBondContact CB-O 3.15Å |
| 177 | H | 98.5 | Very high | 98.6 | Very high | 71 Ų | 71 | 22.8 Ų | 22.8 | 33% | 0.329 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -140.5 | 139.1 | 169.3 | -62.2 | 92.3 | 0 | 0 | 0 | 109 | T174 L179 G461 E462 V464 D465 | T174-H177 CarbonylContact C-O 3.56Å; T174-H177 VanDerWaalsContact CA-O 3.28Å; T174-H177 WeakPolarHBondContact CA-O 3.16Å; T174-H177 VanDerWaalsContact O-O 3.14Å; H177-L179 PolarHBondContact O-N 3.14Å; H177-G461 PolarHBondContact CE1-O 3.14Å; H177-G461 PolarHBondContact ND1-O 3.2Å; H177-E462 PolarHBondContact CE1-O 3.42Å; H177-V464 PolarHBondContact ND1-O 3.29Å; H177-D465 HydrophobicContact CB-CB 3.78Å |
| 178 | Y | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 22.5 Ų | 22.5 | 17% | 0.173 | 10% | 0.104 | C | C | . | . | P | Polyproline II helix | trans | -68.2 | 131.2 | 175.4 | 176.3 | -94.1 | 0 | 0 | 0 | 110.4 | P210 L230 I231 Y232 | Y178-P210 HydrophobicContact CD2-CB 4.33Å; Y178-L230 HydrophobicContact CD1-CB 4.43Å; Y178-L230 HydrophobicContact CD1-CD2 3.52Å; Y178-L230 VanDerWaalsContact CD2-C 3.49Å; Y178-L230 HydrophobicContact CD2-CB 4.02Å; Y178-L230 HydrophobicContact CE1-CD2 4.06Å; Y178-L230 VanDerWaalsContact CE2-C 3.48Å; Y178-L230 HydrophobicContact CG-CB 3.93Å; Y178-L230 HydrophobicContact CG-CD2 3.82Å; Y178-L230 HydrophobicContact CG-CG 4.43Å; Y178-I231 PolarHBondContact OH-O 3.26Å; Y178-Y232 HydrophobicContact CD2-CE1 4.2Å; Y178-Y232 HydrophobicContact CD2-CE2 4.33Å; Y178-Y232 AromaticContact CD2-CZ 3.83Å; Y178-Y232 AromaticContact CE2-CD1 3.91Å; Y178-Y232 HydrophobicContact CE2-CD1 3.91Å; Y178-Y232 AromaticContact CE2-CE1 3.32Å; Y178-Y232 HydrophobicContact CE2-CE1 3.32Å; Y178-Y232 HydrophobicContact CE2-CE2 4.09Å; Y178-Y232 AromaticContact CE2-CZ 3.41Å; Y178-Y232 VanDerWaalsContact CE2-CZ 3.41Å; Y178-Y232 AromaticContact CZ-CE1 3.66Å |
| 179 | L | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -101.2 | 133.6 | 170.6 | -57.8 | 178.3 | 0 | 0 | 0 | 110.6 | I172 T174 H177 I184 Y232 D466 L469 | I172-L179 HydrophobicContact CB-CD1 4.39Å; I172-L179 HydrophobicContact CD1-CD1 4.18Å; T174-L179 HydrophobicContact CG2-CB 3.86Å; T174-L179 HydrophobicContact CG2-CD1 3.79Å; T174-L179 HydrophobicContact CG2-CG 3.86Å; H177-L179 PolarHBondContact O-N 3.14Å; L179-I184 HydrophobicContact CB-CD1 4.46Å; L179-I184 HydrophobicContact CB-CG1 4.19Å; L179-Y232 PolarHBondContact N-OH 3.29Å; L179-Y232 WeakPolarHBondContact O-CE1 3.28Å; L179-Y232 PolarHBondContact O-OH 3.42Å; L179-D466 WeakPolarHBondContact CA-OD1 3.41Å; L179-D466 WeakPolarHBondContact CD2-OD1 3.43Å; L179-L469 HydrophobicContact CD1-CD2 3.69Å; L179-L469 HydrophobicContact CD2-CD2 4.22Å |
| 180 | S | 98.5 | Very high | 98.6 | Very high | 33 Ų | 33 | 23.2 Ų | 23.2 | 23% | 0.231 | 11% | 0.107 | C | C | . | . | P | Polyproline II helix | trans | -70.2 | 155.4 | 177.7 | 66.2 | 0 | 0 | 0 | 0 | 112.1 | K182 E183 I184 D466 | S180-K182 PolarHBondContact O-N 2.82Å; S180-E183 WeakPolarHBondContact O-CB 3.49Å; S180-E183 PolarHBondContact O-N 3.33Å; S180-E183 PolarHBondContact OG-N 3.45Å; S180-I184 WeakPolarHBondContact O-CG1 3.38Å; S180-I184 PolarHBondContact O-N 2.65Å; S180-D466 WeakPolarHBondContact CB-OD2 3.39Å; S180-D466 PolarHBondContact N-OD1 2.62Å; S180-D466 PolarHBondContact N-OD2 2.92Å; S180-D466 PolarHBondContact OG-OD2 3.39Å |
| 181 | L | 98.6 | Very high | 98.6 | Very high | 34 Ų | 34 | 23.2 Ų | 23.2 | 18% | 0.178 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -55.2 | -40.2 | 175.1 | -57.5 | -175.7 | 0 | 0 | 0 | 111.7 | E183 I184 E185 Y232 D236 I240 | L181-E183 VanDerWaalsContact C-N 3.29Å; L181-E183 PolarHBondContact O-N 3.19Å; L181-I184 PolarHBondContact O-N 2.82Å; L181-E185 WeakPolarHBondContact O-CB 3.35Å; L181-E185 VanDerWaalsContact O-CG 3.26Å; L181-E185 WeakPolarHBondContact O-CG 3.23Å; L181-E185 PolarHBondContact O-N 3.38Å; L181-Y232 HydrophobicContact CD2-CD1 3.87Å; L181-Y232 HydrophobicContact CD2-CE1 4.05Å; L181-D236 HydrophobicContact CD1-CB 3.95Å; L181-D236 WeakPolarHBondContact CD1-OD1 3.27Å; L181-D236 HydrophobicContact CD2-CB 3.96Å; L181-I240 HydrophobicContact CB-CD1 4.23Å; L181-I240 HydrophobicContact CD2-CD1 4.15Å; L181-I240 HydrophobicContact CD2-CG1 3.77Å |
| 182 | K | 98.3 | Very high | 98.6 | Very high | 160 Ų | 160 | 23.4 Ų | 23.4 | 70% | 0.696 | 11% | 0.109 | S | C | * | . | H | α-helix | trans | -61.2 | -38.3 | 176.9 | -176.4 | 179.5 | 177.9 | -177.8 | 0 | 112 | S180 K186 | S180-K182 PolarHBondContact O-N 2.82Å; K182-K186 WeakPolarHBondContact O-CB 3.35Å; K182-K186 PolarHBondContact O-N 3.34Å |
| 183 | E | 98.3 | Very high | 98.5 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 6% | 0.061 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.5 | -43.6 | 176.6 | -167.3 | 63.7 | -155.8 | 0 | 0 | 111 | S180 L181 K186 F187 D466 L469 | S180-E183 WeakPolarHBondContact O-CB 3.49Å; S180-E183 PolarHBondContact O-N 3.33Å; S180-E183 PolarHBondContact OG-N 3.45Å; L181-E183 VanDerWaalsContact C-N 3.29Å; L181-E183 PolarHBondContact O-N 3.19Å; E183-K186 PolarHBondContact O-N 2.73Å; E183-K186 WeakPolarHBondContact OE1-CE 3.18Å; E183-K186 IonicContact OE1-NZ 2.75Å; E183-K186 PolarHBondContact OE1-NZ 3.49Å; E183-K186 WeakPolarHBondContact OE2-CE 3.49Å; E183-K186 IonicContact OE2-NZ 3.82Å; E183-K186 PolarHBondContact OE2-NZ 3.2Å; E183-F187 WeakPolarHBondContact O-CB 3.31Å; E183-F187 PolarHBondContact O-N 3.41Å; E183-D466 VanDerWaalsContact CB-OD1 3.27Å; E183-D466 WeakPolarHBondContact CB-OD1 3.47Å; E183-D466 WeakPolarHBondContact CG-OD1 3.37Å; E183-L469 HydrophobicContact CG-CD2 3.68Å |
| 184 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 176.4 | -61.2 | 170.2 | 0 | 0 | 0 | 111.1 | I172 T174 L179 S180 L181 F187 L188 L199 W201 Y232 I240 | I172-I184 HydrophobicContact CD1-CG1 4.18Å; I172-I184 HydrophobicContact CD1-CG2 4.48Å; T174-I184 HydrophobicContact CG2-CD1 4.5Å; L179-I184 HydrophobicContact CB-CD1 4.46Å; L179-I184 HydrophobicContact CB-CG1 4.19Å; S180-I184 WeakPolarHBondContact O-CG1 3.38Å; S180-I184 PolarHBondContact O-N 2.65Å; L181-I184 PolarHBondContact O-N 2.82Å; I184-F187 WeakPolarHBondContact O-CB 3.13Å; I184-F187 PolarHBondContact O-N 3.47Å; I184-L188 HydrophobicContact CG2-CD1 4.06Å; I184-L188 HydrophobicContact CG2-CG 4.44Å; I184-L188 WeakPolarHBondContact O-CG 3.49Å; I184-L188 PolarHBondContact O-N 3.18Å; I184-L199 HydrophobicContact CG2-CD2 4.34Å; I184-W201 HydrophobicContact CD1-CH2 4.16Å; I184-W201 HydrophobicContact CD1-CZ2 3.72Å; I184-Y232 HydrophobicContact CD1-CE1 4.06Å; I184-I240 HydrophobicContact CB-CD1 4.28Å; I184-I240 HydrophobicContact CG2-CD1 4.09Å; I184-I240 HydrophobicContact CG2-CG2 3.94Å |
| 185 | E | 98.7 | Very high | 98.5 | Very high | 39 Ų | 39 | 23.3 Ų | 23.3 | 18% | 0.182 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.2 | -51.2 | 173.8 | -76 | 172 | -179.8 | 0 | 0 | 111.8 | L181 F187 L188 D189 Y239 I240 Y243 | L181-E185 WeakPolarHBondContact O-CB 3.35Å; L181-E185 VanDerWaalsContact O-CG 3.26Å; L181-E185 WeakPolarHBondContact O-CG 3.23Å; L181-E185 PolarHBondContact O-N 3.38Å; E185-F187 PolarHBondContact O-N 3.3Å; E185-L188 PolarHBondContact O-N 3.31Å; E185-D189 PolarHBondContact O-N 2.95Å; E185-Y239 HydrophobicContact CG-CE1 4.26Å; E185-Y239 WeakPolarHBondContact OE1-CE1 3.31Å; E185-Y239 PolarHBondContact OE1-OH 3.1Å; E185-I240 HydrophobicContact CG-CD1 4.17Å; E185-Y243 HydrophobicContact CB-CD1 4.28Å; E185-Y243 HydrophobicContact CB-CE1 3.64Å; E185-Y243 HydrophobicContact CB-CE2 4.29Å; E185-Y243 HydrophobicContact CG-CD1 4.07Å; E185-Y243 HydrophobicContact CG-CD2 4.06Å; E185-Y243 HydrophobicContact CG-CE1 3.82Å; E185-Y243 HydrophobicContact CG-CE2 3.82Å; E185-Y243 HydrophobicContact CG-CG 4.17Å; E185-Y243 WeakPolarHBondContact O-CE1 3.49Å |
| 186 | K | 98.2 | Very high | 98.5 | Very high | 43 Ų | 43 | 23.4 Ų | 23.4 | 19% | 0.187 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.9 | -39 | 178.4 | -177.3 | -177.9 | 63.7 | -179.8 | 0 | 110.9 | K182 E183 D189 S190 F470 W511 | K182-K186 WeakPolarHBondContact O-CB 3.35Å; K182-K186 PolarHBondContact O-N 3.34Å; E183-K186 PolarHBondContact O-N 2.73Å; E183-K186 WeakPolarHBondContact OE1-CE 3.18Å; E183-K186 IonicContact OE1-NZ 2.75Å; E183-K186 PolarHBondContact OE1-NZ 3.49Å; E183-K186 WeakPolarHBondContact OE2-CE 3.49Å; E183-K186 IonicContact OE2-NZ 3.82Å; E183-K186 PolarHBondContact OE2-NZ 3.2Å; K186-D189 PolarHBondContact O-N 2.65Å; K186-S190 PolarHBondContact O-N 3.17Å; K186-S190 VanDerWaalsContact O-N 3.07Å; K186-F470 HydrophobicContact CD-CD2 3.88Å; K186-F470 HydrophobicContact CD-CE2 4.22Å; K186-F470 HydrophobicContact CD-CG 4.41Å; K186-F470 VanDerWaalsContact CE-CD2 3.46Å; K186-F470 HydrophobicContact CG-CD2 3.87Å; K186-F470 HydrophobicContact CG-CE2 3.83Å; K186-W511 HydrophobicContact CD-CG 4.23Å; K186-W511 HydrophobicContact CG-CD2 4.46Å; K186-W511 HydrophobicContact CG-CG 4.08Å |
| 187 | F | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.8 | -42.3 | 177.1 | -154.8 | -93.2 | 0 | 0 | 0 | 112.6 | F170 I172 E183 I184 E185 D189 S190 M191 L199 I459 L469 S473 W474 | F170-F187 HydrophobicContact CB-CE1 4.11Å; F170-F187 AromaticContact CD1-CE1 3.76Å; F170-F187 HydrophobicContact CD1-CE1 3.76Å; F170-F187 AromaticContact CD1-CZ 3.64Å; F170-F187 HydrophobicContact CD1-CZ 3.64Å; F170-F187 HydrophobicContact CD2-CE1 4.07Å; F170-F187 HydrophobicContact CD2-CZ 4.07Å; F170-F187 HydrophobicContact CE1-CE1 4.17Å; F170-F187 AromaticContact CE1-CZ 3.55Å; F170-F187 HydrophobicContact CE1-CZ 3.55Å; F170-F187 HydrophobicContact CE2-CE1 4.42Å; F170-F187 AromaticContact CE2-CZ 3.96Å; F170-F187 HydrophobicContact CE2-CZ 3.96Å; F170-F187 AromaticContact CG-CE1 3.71Å; F170-F187 HydrophobicContact CG-CE1 3.71Å; F170-F187 AromaticContact CG-CZ 3.91Å; F170-F187 HydrophobicContact CG-CZ 3.91Å; F170-F187 HydrophobicContact CZ-CE1 4.44Å; F170-F187 AromaticContact CZ-CZ 3.67Å; F170-F187 HydrophobicContact CZ-CZ 3.67Å; I172-F187 HydrophobicContact CG2-CD1 3.77Å; I172-F187 HydrophobicContact CG2-CE1 3.43Å; I172-F187 VanDerWaalsContact CG2-CE1 3.43Å; I172-F187 HydrophobicContact CG2-CE2 4.39Å; I172-F187 HydrophobicContact CG2-CG 4.38Å; I172-F187 HydrophobicContact CG2-CZ 3.78Å; E183-F187 WeakPolarHBondContact O-CB 3.31Å; E183-F187 PolarHBondContact O-N 3.41Å; I184-F187 WeakPolarHBondContact O-CB 3.13Å; I184-F187 PolarHBondContact O-N 3.47Å; E185-F187 PolarHBondContact O-N 3.3Å; F187-D189 VanDerWaalsContact C-N 3.3Å; F187-D189 PolarHBondContact O-N 2.81Å; F187-S190 PolarHBondContact O-N 3.33Å; F187-S190 PolarHBondContact O-OG 3.43Å; F187-M191 HydrophobicContact CD1-CG 4.09Å; F187-M191 HydrophobicContact CD1-SD 3.72Å; F187-M191 HydrophobicContact CE1-CG 4.15Å; F187-M191 HydrophobicContact CE1-SD 3.91Å; F187-M191 VanDerWaalsContact O-CG 3.32Å; F187-M191 WeakPolarHBondContact O-CG 3.48Å; F187-M191 PolarHBondContact O-N 2.92Å; F187-L199 HydrophobicContact CD1-CD1 4.26Å; F187-I459 HydrophobicContact CZ-CG2 4.26Å; F187-L469 HydrophobicContact CD2-CD1 4.5Å; F187-L469 HydrophobicContact CD2-CD2 3.81Å; F187-L469 HydrophobicContact CD2-CG 3.95Å; F187-L469 HydrophobicContact CE2-CD1 4.09Å; F187-L469 HydrophobicContact CE2-CD2 4.24Å; F187-L469 HydrophobicContact CE2-CG 3.93Å; F187-L469 HydrophobicContact CG-CD2 4.42Å; F187-S473 WeakPolarHBondContact CE2-OG 3.37Å; F187-W474 AromaticContact CD2-NE1 3.71Å; F187-W474 AromaticContact CE2-NE1 3.39Å; F187-W474 HydrophobicContact CZ-CZ2 4.43Å; F187-W474 AromaticContact CZ-NE1 3.84Å |
| 188 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.9 | -38.3 | 173.3 | -73.3 | 167.4 | 0 | 0 | 0 | 111.7 | I184 E185 M191 S192 L199 I240 Y243 A244 I249 | I184-L188 HydrophobicContact CG2-CD1 4.06Å; I184-L188 HydrophobicContact CG2-CG 4.44Å; I184-L188 WeakPolarHBondContact O-CG 3.49Å; I184-L188 PolarHBondContact O-N 3.18Å; E185-L188 PolarHBondContact O-N 3.31Å; L188-M191 HydrophobicContact CD2-SD 4.44Å; L188-M191 PolarHBondContact O-N 3.02Å; L188-S192 WeakPolarHBondContact O-CB 3.41Å; L188-S192 PolarHBondContact O-N 2.78Å; L188-L199 HydrophobicContact CD2-CB 4.15Å; L188-L199 HydrophobicContact CD2-CD2 4.03Å; L188-I240 HydrophobicContact CD1-CG2 4.37Å; L188-Y243 HydrophobicContact CB-CD1 4.23Å; L188-Y243 HydrophobicContact CB-CE1 4.3Å; L188-Y243 HydrophobicContact CD1-CD1 3.84Å; L188-A244 HydrophobicContact CD1-CB 3.92Å; L188-A244 HydrophobicContact CD2-CB 3.84Å; L188-I249 HydrophobicContact CB-CD1 4.32Å; L188-I249 HydrophobicContact CD2-CB 4.22Å; L188-I249 HydrophobicContact CD2-CD1 3.9Å; L188-I249 HydrophobicContact CD2-CG2 3.71Å; L188-I249 WeakPolarHBondContact O-CD1 3.32Å |
| 189 | D | 98.6 | Very high | 98.6 | Very high | 16 Ų | 16 | 16.7 Ų | 16.7 | 9% | 0.086 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.5 | -38.8 | 174.8 | -86.7 | -49.8 | 0 | 0 | 0 | 113.1 | R67 E185 K186 F187 M193 Y243 R247 W511 | R67-D189 IonicContact NH2-OD1 3.24Å; R67-D189 PolarHBondContact NH2-OD1 3.13Å; E185-D189 PolarHBondContact O-N 2.95Å; K186-D189 PolarHBondContact O-N 2.65Å; F187-D189 VanDerWaalsContact C-N 3.3Å; F187-D189 PolarHBondContact O-N 2.81Å; D189-M193 PolarHBondContact O-N 3.26Å; D189-M193 VanDerWaalsContact O-N 3.08Å; D189-Y243 PolarHBondContact OD2-OH 2.75Å; D189-R247 VanDerWaalsContact CG-NE 3.34Å; D189-R247 IonicContact OD1-CZ 3.35Å; D189-R247 VanDerWaalsContact OD1-CZ 3.26Å; D189-R247 IonicContact OD1-NE 3.55Å; D189-R247 PolarHBondContact OD1-NE 3Å; D189-R247 IonicContact OD1-NH2 3.65Å; D189-R247 PolarHBondContact OD1-NH2 2.89Å; D189-R247 IonicContact OD2-CZ 2.73Å; D189-R247 IonicContact OD2-NE 3.73Å; D189-R247 IonicContact OD2-NH2 3.99Å; D189-R247 PolarHBondContact OD2-NH2 2.79Å; D189-W511 HydrophobicContact CB-CH2 3.68Å; D189-W511 HydrophobicContact CB-CZ2 3.54Å |
| 190 | S | 98.3 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -72.5 | -36 | 175.9 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | K186 F187 M193 V194 W474 | K186-S190 PolarHBondContact O-N 3.17Å; K186-S190 VanDerWaalsContact O-N 3.07Å; F187-S190 PolarHBondContact O-N 3.33Å; F187-S190 PolarHBondContact O-OG 3.43Å; S190-M193 VanDerWaalsContact O-CB 3.23Å; S190-M193 WeakPolarHBondContact O-CB 3.32Å; S190-M193 PolarHBondContact O-N 3.16Å; S190-V194 PolarHBondContact O-N 3.4Å; S190-W474 PolarHBondContact OG-NE1 3.07Å |
| 191 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59 | -46.5 | 170.4 | -75 | 173.6 | 67.6 | 0 | 0 | 111.9 | F170 F187 L188 M193 V194 K195 M196 V198 L199 I249 W474 | F170-M191 HydrophobicContact CB-CE 3.91Å; F170-M191 HydrophobicContact CB-CG 4.33Å; F170-M191 HydrophobicContact CB-SD 4Å; F187-M191 HydrophobicContact CD1-CG 4.09Å; F187-M191 HydrophobicContact CD1-SD 3.72Å; F187-M191 HydrophobicContact CE1-CG 4.15Å; F187-M191 HydrophobicContact CE1-SD 3.91Å; F187-M191 VanDerWaalsContact O-CG 3.32Å; F187-M191 WeakPolarHBondContact O-CG 3.48Å; F187-M191 PolarHBondContact O-N 2.92Å; L188-M191 HydrophobicContact CD2-SD 4.44Å; L188-M191 PolarHBondContact O-N 3.02Å; M191-M193 PolarHBondContact O-N 2.87Å; M191-V194 CarbonylContact O-C 3.47Å; M191-V194 WeakPolarHBondContact O-CG2 3.35Å; M191-V194 PolarHBondContact O-N 2.93Å; M191-V194 VanDerWaalsContact O-N 3.13Å; M191-K195 PolarHBondContact O-N 2.78Å; M191-M196 HydrophobicContact CB-CB 3.99Å; M191-M196 HydrophobicContact CE-CB 4.14Å; M191-M196 HydrophobicContact CG-CB 4.27Å; M191-M196 PolarHBondContact O-N 3.47Å; M191-V198 VanDerWaalsContact CE-C 3.47Å; M191-V198 WeakPolarHBondContact CE-O 3.41Å; M191-L199 HydrophobicContact CE-CB 4.16Å; M191-L199 HydrophobicContact CE-CD1 4.35Å; M191-L199 HydrophobicContact SD-CB 4.45Å; M191-L199 HydrophobicContact SD-CD1 3.74Å; M191-I249 HydrophobicContact CB-CD1 3.84Å; M191-I249 HydrophobicContact CE-CG2 4.05Å; M191-W474 HydrophobicContact CG-CZ2 4.06Å |
| 192 | S | 98.4 | Very high | 98.6 | Very high | 5 Ų | 5 | 13.5 Ų | 13.5 | 4% | 0.035 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59 | -38 | 175.4 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | L188 V194 K195 | L188-S192 WeakPolarHBondContact O-CB 3.41Å; L188-S192 PolarHBondContact O-N 2.78Å; S192-V194 PolarHBondContact O-N 3.27Å; S192-K195 PolarHBondContact O-N 2.85Å |
| 193 | M | 97.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -59.4 | -33 | 177.7 | -166.3 | -179.5 | -177.5 | 0 | 0 | 113.2 | E138 Q142 D189 S190 M191 L502 R505 M506 R509 W511 | E138-M193 HydrophobicContact CG-CG 4.42Å; E138-M193 WeakPolarHBondContact CG-O 3.11Å; E138-M193 VanDerWaalsContact OE1-CG 3.32Å; E138-M193 WeakPolarHBondContact OE1-CG 3.02Å; Q142-M193 PolarHBondContact NE2-O 2.87Å; D189-M193 PolarHBondContact O-N 3.26Å; D189-M193 VanDerWaalsContact O-N 3.08Å; S190-M193 VanDerWaalsContact O-CB 3.23Å; S190-M193 WeakPolarHBondContact O-CB 3.32Å; S190-M193 PolarHBondContact O-N 3.16Å; M191-M193 PolarHBondContact O-N 2.87Å; M193-L502 HydrophobicContact CE-CD1 3.5Å; M193-L502 VanDerWaalsContact CE-CD1 3.5Å; M193-L502 HydrophobicContact CG-CD1 4.09Å; M193-L502 HydrophobicContact SD-CD1 3.9Å; M193-R505 HydrophobicContact CE-CB 3.43Å; M193-R505 VanDerWaalsContact CE-CB 3.43Å; M193-M506 HydrophobicContact CE-CG 4.31Å; M193-M506 HydrophobicContact SD-CE 4.06Å; M193-M506 HydrophobicContact SD-CG 3.67Å; M193-R509 PolarHBondContact SD-NH1 3.45Å; M193-W511 HydrophobicContact SD-CZ3 3.85Å |
| 194 | V | 98.3 | Very high | 98.7 | Very high | 0 Ų | 0 | 5.3 Ų | 5.3 | 0% | 0 | 3% | 0.025 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 18.3 | 180 | -62.2 | 0 | 0 | 0 | 0 | 113.1 | V26 P27 S190 M191 S192 M196 W474 A481 L502 M506 | V26-V194 HydrophobicContact CG1-CG1 4.5Å; P27-V194 VanDerWaalsContact CD-O 3.26Å; P27-V194 WeakPolarHBondContact CD-O 3.42Å; P27-V194 WeakPolarHBondContact CG-O 3.22Å; S190-V194 PolarHBondContact O-N 3.4Å; M191-V194 CarbonylContact O-C 3.47Å; M191-V194 WeakPolarHBondContact O-CG2 3.35Å; M191-V194 PolarHBondContact O-N 2.93Å; M191-V194 VanDerWaalsContact O-N 3.13Å; S192-V194 PolarHBondContact O-N 3.27Å; V194-M196 HydrophobicContact CG2-CG 3.78Å; V194-M196 PolarHBondContact O-N 3.3Å; V194-W474 HydrophobicContact CB-CZ3 4.5Å; V194-W474 HydrophobicContact CG1-CZ3 4.25Å; V194-W474 HydrophobicContact CG2-CH2 3.43Å; V194-W474 VanDerWaalsContact CG2-CH2 3.43Å; V194-W474 HydrophobicContact CG2-CZ3 3.53Å; V194-A481 HydrophobicContact CB-CB 3.93Å; V194-A481 HydrophobicContact CG2-CB 3.9Å; V194-L502 HydrophobicContact CG1-CD1 4.11Å; V194-L502 HydrophobicContact CG1-CD2 3.66Å; V194-M506 HydrophobicContact CG1-CE 4.44Å |
| 195 | K | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 5.3 Ų | 5.3 | 0% | 0.004 | 3% | 0.026 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 27.4 | 174 | -43.8 | -171.7 | -177.6 | 96.7 | 0 | 115.1 | Y114 H135 D161 R168 M191 S192 W485 | Y114-K195 VanDerWaalsContact OH-CE 3.23Å; Y114-K195 WeakPolarHBondContact OH-CE 3.48Å; H135-K195 HydrophobicContact CB-CD 3.94Å; H135-K195 HydrophobicContact CB-CG 4.38Å; D161-K195 IonicContact OD2-NZ 2.92Å; R168-K195 PolarHBondContact NE-O 3.19Å; R168-K195 PolarHBondContact NH2-O 2.82Å; M191-K195 PolarHBondContact O-N 2.78Å; S192-K195 PolarHBondContact O-N 2.85Å; K195-W485 HydrophobicContact CB-CD2 4.31Å; K195-W485 HydrophobicContact CB-CE3 3.61Å; K195-W485 HydrophobicContact CB-CH2 4.2Å; K195-W485 HydrophobicContact CB-CZ3 3.56Å; K195-W485 HydrophobicContact CD-CD2 3.88Å; K195-W485 HydrophobicContact CD-CE3 3.84Å; K195-W485 HydrophobicContact CD-CH2 3.37Å; K195-W485 HydrophobicContact CD-CZ2 3.37Å; K195-W485 HydrophobicContact CD-CZ3 3.6Å; K195-W485 HydrophobicContact CG-CE3 4.4Å; K195-W485 HydrophobicContact CG-CH2 4.41Å; K195-W485 HydrophobicContact CG-CZ3 4.24Å |
| 196 | M | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 6.1 Ų | 6.1 | 1% | 0.01 | 3% | 0.031 | C | C | . | . | trans | -76.4 | 138.7 | 167.2 | -63.8 | -66.4 | -78.3 | 0 | 0 | 108.8 | R168 G169 F170 M191 V194 A481 L484 | R168-M196 VanDerWaalsContact C-CE 3.47Å; R168-M196 HydrophobicContact CB-CE 4.32Å; R168-M196 HydrophobicContact CB-SD 3.79Å; R168-M196 WeakPolarHBondContact O-CE 3.49Å; G169-M196 WeakPolarHBondContact O-CE 3.39Å; F170-M196 HydrophobicContact CB-CE 4.47Å; M191-M196 HydrophobicContact CB-CB 3.99Å; M191-M196 HydrophobicContact CE-CB 4.14Å; M191-M196 HydrophobicContact CG-CB 4.27Å; M191-M196 PolarHBondContact O-N 3.47Å; V194-M196 HydrophobicContact CG2-CG 3.78Å; V194-M196 PolarHBondContact O-N 3.3Å; M196-A481 HydrophobicContact CG-CB 3.88Å; M196-A481 HydrophobicContact SD-CB 3.6Å; M196-L484 HydrophobicContact CE-CD1 4.2Å; M196-L484 HydrophobicContact SD-CD1 4.41Å | ||
| 197 | N | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 7.6 Ų | 7.6 | 2% | 0.016 | 4% | 0.038 | C | C | . | . | trans | -126.7 | 0.7 | -166.3 | 71.1 | -15.9 | 0 | 0 | 0 | 114.7 | M110 E112 P166 R168 I249 R250 | M110-N197 HydrophobicContact CE-CB 3.63Å; M110-N197 WeakPolarHBondContact CE-ND2 3.3Å; E112-N197 PolarHBondContact OE1-ND2 3.14Å; P166-N197 PolarHBondContact O-ND2 3.46Å; R168-N197 WeakPolarHBondContact CA-OD1 3.39Å; R168-N197 WeakPolarHBondContact CB-OD1 3.22Å; R168-N197 PolarHBondContact N-OD1 2.84Å; R168-N197 PolarHBondContact NH1-ND2 3.49Å; R168-N197 PolarHBondContact NH2-ND2 2.93Å; R168-N197 PolarHBondContact O-N 2.95Å; R168-N197 PolarHBondContact O-OD1 3.21Å; N197-I249 WeakPolarHBondContact O-CA 3.49Å; N197-R250 PolarHBondContact O-N 3.16Å | ||
| 198 | V | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 7.6 Ų | 7.6 | 1% | 0.006 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 122.5 | 173.8 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | R168 G169 F170 M191 R250 M252 | R168-V198 PolarHBondContact O-N 3.15Å; G169-V198 CarbonylContact C-O 3.55Å; G169-V198 WeakPolarHBondContact CA-O 3.48Å; F170-V198 PolarHBondContact N-O 3.35Å; M191-V198 VanDerWaalsContact CE-C 3.47Å; M191-V198 WeakPolarHBondContact CE-O 3.41Å; V198-R250 CarbonylContact C-O 3.21Å; V198-R250 WeakPolarHBondContact CA-O 3.38Å; V198-R250 HydrophobicContact CG2-CB 4.28Å; V198-M252 HydrophobicContact CG1-CB 3.89Å |
| 199 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.038 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 109.7 | 160.5 | -176.3 | 71.9 | 0 | 0 | 0 | 106.6 | I172 I184 F187 L188 M191 W201 I249 R250 I251 M252 | I172-L199 HydrophobicContact CD1-CD1 3.85Å; I172-L199 HydrophobicContact CD1-CD2 4.08Å; I172-L199 HydrophobicContact CD1-CG 4.37Å; I172-L199 HydrophobicContact CG1-CD1 3.84Å; I172-L199 HydrophobicContact CG1-CG 4.37Å; I172-L199 HydrophobicContact CG2-CD1 4.09Å; I184-L199 HydrophobicContact CG2-CD2 4.34Å; F187-L199 HydrophobicContact CD1-CD1 4.26Å; L188-L199 HydrophobicContact CD2-CB 4.15Å; L188-L199 HydrophobicContact CD2-CD2 4.03Å; M191-L199 HydrophobicContact CE-CB 4.16Å; M191-L199 HydrophobicContact CE-CD1 4.35Å; M191-L199 HydrophobicContact SD-CB 4.45Å; M191-L199 HydrophobicContact SD-CD1 3.74Å; L199-W201 HydrophobicContact CD2-CB 4.48Å; L199-W201 HydrophobicContact CG-CB 4.48Å; L199-W201 PolarHBondContact O-N 2.73Å; L199-I249 HydrophobicContact CB-CG2 4.14Å; L199-R250 PolarHBondContact N-O 2.69Å; L199-I251 HydrophobicContact CB-CG1 4.34Å; L199-I251 HydrophobicContact CD2-CD1 4.25Å; L199-I251 HydrophobicContact CD2-CG1 4.39Å; L199-I251 WeakPolarHBondContact O-CA 3.42Å; L199-M252 PolarHBondContact O-N 3.36Å |
| 200 | H | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 109.2 | 167.1 | 179.6 | 177 | 0 | 0 | 0 | 106.3 | F170 L171 I172 M252 E254 H316 W376 H393 E456 | F170-H200 PolarHBondContact O-N 2.85Å; L171-H200 CarbonylContact C-O 3.57Å; L171-H200 WeakPolarHBondContact CA-O 2.82Å; L171-H200 HydrophobicContact CB-CB 4.03Å; L171-H200 HydrophobicContact CG-CB 4.48Å; I172-H200 PolarHBondContact N-O 2.93Å; H200-M252 WeakPolarHBondContact CA-O 3.47Å; H200-M252 HydrophobicContact CB-CE 3.84Å; H200-M252 VanDerWaalsContact CG-CE 3.45Å; H200-E254 IonicContact CE1-OE2 2.78Å; H200-E254 WeakPolarHBondContact NE2-CB 3.41Å; H200-E254 IonicContact NE2-OE2 3.52Å; H200-E254 PolarHBondContact NE2-OE2 3.44Å; H200-E254 VanDerWaalsContact NE2-OE2 3.16Å; H200-H316 AromaticContact CE1-CD2 3.51Å; H200-H316 AromaticContact CE1-CG 3.69Å; H200-H316 WeakPolarHBondContact NE2-CB 3.12Å; H200-H316 AromaticContact NE2-CD2 3.8Å; H200-H316 AromaticContact NE2-CG 3.51Å; H200-W376 AromaticContact CE1-CH2 3.84Å; H200-W376 AromaticContact CE1-CZ2 3.9Å; H200-H393 AromaticContact ND1-CE1 3.97Å; H200-E456 VanDerWaalsContact CB-OE2 3.26Å; H200-E456 WeakPolarHBondContact CB-OE2 3.28Å; H200-E456 IonicContact CE1-OE2 3.44Å; H200-E456 IonicContact CG-OE2 3.95Å; H200-E456 IonicContact ND1-OE1 3.67Å; H200-E456 IonicContact ND1-OE2 3.2Å; H200-E456 PolarHBondContact ND1-OE2 3.05Å |
| 201 | W | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.035 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 104.3 | -174.7 | -166.1 | -2.5 | 0 | 0 | 0 | 109.3 | I172 T174 I184 L199 I203 Y232 M237 I240 I251 M252 E254 | I172-W201 HydrophobicContact CG1-CG 4.5Å; T174-W201 HydrophobicContact CG2-CZ2 4.39Å; T174-W201 PolarHBondContact OG1-NE1 2.99Å; I184-W201 HydrophobicContact CD1-CH2 4.16Å; I184-W201 HydrophobicContact CD1-CZ2 3.72Å; L199-W201 HydrophobicContact CD2-CB 4.48Å; L199-W201 HydrophobicContact CG-CB 4.48Å; L199-W201 PolarHBondContact O-N 2.73Å; W201-I203 HydrophobicContact CB-CD1 4.45Å; W201-I203 HydrophobicContact CB-CG1 4.02Å; W201-I203 HydrophobicContact CD2-CD1 3.94Å; W201-I203 HydrophobicContact CD2-CG1 3.75Å; W201-I203 HydrophobicContact CE3-CD1 4.1Å; W201-I203 HydrophobicContact CE3-CG1 4.42Å; W201-I203 HydrophobicContact CG-CD1 4.12Å; W201-I203 HydrophobicContact CG-CG1 3.54Å; W201-I203 VanDerWaalsContact O-CG1 3.31Å; W201-I203 WeakPolarHBondContact O-CG1 3.21Å; W201-I203 PolarHBondContact O-N 2.67Å; W201-Y232 HydrophobicContact CH2-CD2 4.32Å; W201-Y232 HydrophobicContact CH2-CG 4.34Å; W201-Y232 HydrophobicContact CZ2-CD1 4.42Å; W201-Y232 AromaticContact CZ2-CD2 3.81Å; W201-Y232 HydrophobicContact CZ2-CD2 3.81Å; W201-Y232 HydrophobicContact CZ2-CE1 4.25Å; W201-Y232 AromaticContact CZ2-CE2 3.62Å; W201-Y232 HydrophobicContact CZ2-CE2 3.62Å; W201-Y232 HydrophobicContact CZ2-CG 4.22Å; W201-Y232 AromaticContact CZ2-CZ 3.86Å; W201-M237 HydrophobicContact CE3-CE 4.36Å; W201-M237 HydrophobicContact CH2-CE 4.06Å; W201-M237 HydrophobicContact CH2-SD 3.85Å; W201-M237 HydrophobicContact CZ3-CE 3.6Å; W201-M237 HydrophobicContact CZ3-SD 4.03Å; W201-I240 HydrophobicContact CH2-CG2 4.31Å; W201-I240 HydrophobicContact CZ3-CG2 3.88Å; W201-I251 HydrophobicContact CB-CG2 4.14Å; W201-I251 HydrophobicContact CE3-CD1 4.48Å; W201-I251 HydrophobicContact CE3-CG2 3.84Å; W201-M252 PolarHBondContact N-O 2.87Å; W201-E254 PolarHBondContact O-N 3.11Å |
| 202 | H | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.005 | 5% | 0.045 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 92.8 | 168.3 | -173.2 | 94.4 | 0 | 0 | 0 | 109.3 | L171 I172 D173 T174 S175 R176 V204 D205 E254 W460 | L171-H202 HydrophobicContact CD2-CB 4.44Å; I172-H202 WeakPolarHBondContact O-CB 3.44Å; I172-H202 PolarHBondContact O-N 3.08Å; D173-H202 WeakPolarHBondContact CA-O 3.46Å; D173-H202 HydrophobicContact CB-CB 4.44Å; D173-H202 IonicContact OD1-CD2 3.44Å; T174-H202 PolarHBondContact N-O 3.28Å; T174-H202 PolarHBondContact OG1-O 3.41Å; S175-H202 PolarHBondContact OG-CD2 3.3Å; S175-H202 PolarHBondContact OG-NE2 2.97Å; R176-H202 PolarHBondContact NH1-CD2 2.55Å; R176-H202 PolarHBondContact NH1-NE2 2.89Å; H202-V204 PolarHBondContact NE2-O 2.75Å; H202-D205 IonicContact CE1-OD2 3.97Å; H202-D205 PolarHBondContact CE1-OD2 3.24Å; H202-D205 VanDerWaalsContact CE1-OD2 3.32Å; H202-D205 IonicContact NE2-OD2 3.74Å; H202-D205 PolarHBondContact NE2-OD2 2.83Å; H202-E254 IonicContact CE1-OE2 2.78Å; H202-E254 IonicContact CG-OE2 2.79Å; H202-E254 VanDerWaalsContact ND1-CD 3.26Å; H202-E254 IonicContact ND1-OE1 3.24Å; H202-E254 IonicContact ND1-OE2 3.81Å; H202-E254 PolarHBondContact ND1-OE2 3.26Å; H202-W460 HydrophobicContact CB-CZ3 4.12Å; H202-W460 AromaticContact CE1-CZ3 3.93Å; H202-W460 AromaticContact CG-CZ3 3.63Å; H202-W460 AromaticContact ND1-CH2 3.87Å; H202-W460 AromaticContact ND1-CZ3 3.56Å |
| 203 | I | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -40 | -164.2 | -50.8 | -176.4 | 0 | 0 | 0 | 111.7 | T174 W201 P210 Y232 P253 F255 F310 | T174-I203 WeakPolarHBondContact OG1-CA 3.48Å; T174-I203 PolarHBondContact OG1-O 3.17Å; W201-I203 HydrophobicContact CB-CD1 4.45Å; W201-I203 HydrophobicContact CB-CG1 4.02Å; W201-I203 HydrophobicContact CD2-CD1 3.94Å; W201-I203 HydrophobicContact CD2-CG1 3.75Å; W201-I203 HydrophobicContact CE3-CD1 4.1Å; W201-I203 HydrophobicContact CE3-CG1 4.42Å; W201-I203 HydrophobicContact CG-CD1 4.12Å; W201-I203 HydrophobicContact CG-CG1 3.54Å; W201-I203 VanDerWaalsContact O-CG1 3.31Å; W201-I203 WeakPolarHBondContact O-CG1 3.21Å; W201-I203 PolarHBondContact O-N 2.67Å; I203-P210 HydrophobicContact CG2-CG 4.3Å; I203-P210 WeakPolarHBondContact O-CD 3.35Å; I203-P210 WeakPolarHBondContact O-CG 3.23Å; I203-Y232 HydrophobicContact CG2-CD2 4.35Å; I203-P253 HydrophobicContact CD1-CB 4.09Å; I203-F255 HydrophobicContact CD1-CE2 3.97Å; I203-F255 HydrophobicContact CD1-CZ 4.32Å; I203-F310 HydrophobicContact CD1-CE1 4.12Å; I203-F310 HydrophobicContact CD1-CE2 4.37Å; I203-F310 HydrophobicContact CD1-CZ 3.48Å; I203-F310 VanDerWaalsContact CD1-CZ 3.48Å |
| 204 | V | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 146.5 | -167 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | S175 H202 F209 F255 W264 | S175-V204 VanDerWaalsContact CB-C 3.44Å; H202-V204 PolarHBondContact NE2-O 2.75Å; V204-F209 HydrophobicContact CB-CD2 3.74Å; V204-F209 HydrophobicContact CB-CE2 4.01Å; V204-F209 HydrophobicContact CB-CG 4.23Å; V204-F209 HydrophobicContact CG1-CB 4.45Å; V204-F209 HydrophobicContact CG1-CD1 4.01Å; V204-F209 HydrophobicContact CG1-CD2 3.62Å; V204-F209 HydrophobicContact CG1-CE1 4.11Å; V204-F209 HydrophobicContact CG1-CE2 3.73Å; V204-F209 HydrophobicContact CG1-CG 3.77Å; V204-F209 HydrophobicContact CG1-CZ 3.96Å; V204-F209 HydrophobicContact CG2-CD2 4.19Å; V204-F209 HydrophobicContact CG2-CE2 4.02Å; V204-F255 HydrophobicContact CG1-CD1 4.31Å; V204-F255 HydrophobicContact CG1-CE1 3.89Å; V204-F255 HydrophobicContact CG1-CZ 4.5Å; V204-F255 HydrophobicContact CG2-CB 4.41Å; V204-F255 HydrophobicContact CG2-CD1 3.53Å; V204-F255 HydrophobicContact CG2-CE1 3.98Å; V204-F255 HydrophobicContact CG2-CG 4.1Å; V204-W264 HydrophobicContact CG2-CZ2 3.98Å |
| 205 | D | 98.6 | Very high | 98.7 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | trans | -161.3 | -168.7 | 177.5 | -154 | -81.4 | 0 | 0 | 0 | 110.3 | S175 R176 H202 Q207 S208 H260 S263 | S175-D205 WeakPolarHBondContact OG-CB 3.15Å; R176-D205 IonicContact CZ-OD1 3.93Å; R176-D205 IonicContact CZ-OD2 3.79Å; R176-D205 IonicContact NH1-OD2 3.82Å; R176-D205 PolarHBondContact NH1-OD2 3.37Å; R176-D205 VanDerWaalsContact NH1-OD2 3.16Å; R176-D205 IonicContact NH2-OD1 3.56Å; R176-D205 PolarHBondContact NH2-OD1 3.18Å; R176-D205 IonicContact NH2-OD2 2.82Å; R176-D205 PolarHBondContact NH2-OD2 2.95Å; H202-D205 IonicContact CE1-OD2 3.97Å; H202-D205 PolarHBondContact CE1-OD2 3.24Å; H202-D205 VanDerWaalsContact CE1-OD2 3.32Å; H202-D205 IonicContact NE2-OD2 3.74Å; H202-D205 PolarHBondContact NE2-OD2 2.83Å; D205-Q207 VanDerWaalsContact C-N 3.25Å; D205-Q207 PolarHBondContact O-N 2.83Å; D205-Q207 PolarHBondContact OD1-OE1 3.23Å; D205-S208 PolarHBondContact N-O 2.81Å; D205-S208 VanDerWaalsContact N-O 3.11Å; D205-S208 PolarHBondContact O-N 3.47Å; D205-H260 CarbonylContact C-O 3.6Å; D205-H260 VanDerWaalsContact C-O 3.29Å; D205-H260 VanDerWaalsContact CA-O 3.22Å; D205-H260 WeakPolarHBondContact CA-O 3.27Å; D205-H260 IonicContact OD1-CG 2.61Å; D205-H260 IonicContact OD1-ND1 3.32Å; D205-H260 VanDerWaalsContact OD2-CB 3.32Å; D205-H260 WeakPolarHBondContact OD2-CB 3.38Å; D205-H260 IonicContact OD2-CG 2.93Å; D205-H260 IonicContact OD2-ND1 3.13Å; D205-S263 WeakPolarHBondContact O-CB 3.16Å; D205-S263 PolarHBondContact O-OG 3.22Å | ||
| 206 | D | 98.5 | Very high | 98.7 | Very high | 55 Ų | 55 | 19.3 Ų | 19.3 | 29% | 0.294 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -52.3 | -38.7 | 179.2 | -81.9 | -16.9 | 0 | 0 | 0 | 113.9 | H260 T261 N262 S263 | D206-H260 PolarHBondContact N-O 2.63Å; D206-H260 WeakPolarHBondContact OD1-CA 3.43Å; D206-T261 PolarHBondContact OD1-N 3.06Å; D206-N262 HydrophobicContact CB-CB 3.87Å; D206-N262 WeakPolarHBondContact OD1-CB 3.38Å; D206-N262 PolarHBondContact OD1-N 3.21Å; D206-S263 PolarHBondContact O-N 3.34Å |
| 207 | Q | 98.5 | Very high | 98.7 | Very high | 74 Ų | 74 | 22.4 Ų | 22.4 | 35% | 0.346 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -78.5 | -42.9 | -172.2 | -58.8 | 76.1 | 13.5 | 0 | 0 | 111.5 | S175 R176 D205 F225 | S175-Q207 WeakPolarHBondContact O-CB 3.31Å; R176-Q207 HydrophobicContact CG-CG 4.35Å; D205-Q207 VanDerWaalsContact C-N 3.25Å; D205-Q207 PolarHBondContact O-N 2.83Å; D205-Q207 PolarHBondContact OD1-OE1 3.23Å; Q207-F225 HydrophobicContact CB-CE1 4.29Å; Q207-F225 HydrophobicContact CB-CZ 3.92Å |
| 208 | S | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -148.4 | 142.9 | -173.1 | -168.5 | 0 | 0 | 0 | 0 | 113.3 | S175 D205 P210 G223 A224 F225 | S175-S208 WeakPolarHBondContact O-CB 3.35Å; S175-S208 PolarHBondContact O-N 3.39Å; D205-S208 PolarHBondContact N-O 2.81Å; D205-S208 VanDerWaalsContact N-O 3.11Å; D205-S208 PolarHBondContact O-N 3.47Å; S208-P210 VanDerWaalsContact C-CD 3.47Å; S208-P210 WeakPolarHBondContact O-CD 3.45Å; S208-G223 WeakPolarHBondContact CA-O 3.48Å; S208-A224 WeakPolarHBondContact OG-CA 3.26Å; S208-F225 PolarHBondContact OG-N 3.39Å | ||
| 209 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -114.4 | 78.9 | 165.4 | -161.2 | -74.5 | 0 | 0 | 0 | 109.5 | V204 Y211 L219 S220 G223 A224 F255 W264 | V204-F209 HydrophobicContact CB-CD2 3.74Å; V204-F209 HydrophobicContact CB-CE2 4.01Å; V204-F209 HydrophobicContact CB-CG 4.23Å; V204-F209 HydrophobicContact CG1-CB 4.45Å; V204-F209 HydrophobicContact CG1-CD1 4.01Å; V204-F209 HydrophobicContact CG1-CD2 3.62Å; V204-F209 HydrophobicContact CG1-CE1 4.11Å; V204-F209 HydrophobicContact CG1-CE2 3.73Å; V204-F209 HydrophobicContact CG1-CG 3.77Å; V204-F209 HydrophobicContact CG1-CZ 3.96Å; V204-F209 HydrophobicContact CG2-CD2 4.19Å; V204-F209 HydrophobicContact CG2-CE2 4.02Å; F209-Y211 WeakPolarHBondContact CD1-O 3.4Å; F209-Y211 AromaticContact CE1-CD1 3.86Å; F209-Y211 HydrophobicContact CE1-CD1 3.86Å; F209-Y211 HydrophobicContact CE1-CG 4.41Å; F209-Y211 WeakPolarHBondContact CE1-O 3.5Å; F209-Y211 HydrophobicContact CZ-CD1 4.25Å; F209-L219 HydrophobicContact CD1-CB 3.55Å; F209-L219 HydrophobicContact CD2-CB 4.3Å; F209-L219 HydrophobicContact CD2-CD2 4.18Å; F209-L219 HydrophobicContact CE1-CB 3.5Å; F209-L219 VanDerWaalsContact CE1-CB 3.5Å; F209-L219 HydrophobicContact CE1-CD1 3.8Å; F209-L219 HydrophobicContact CE1-CG 4.18Å; F209-L219 HydrophobicContact CE2-CB 4.27Å; F209-L219 HydrophobicContact CE2-CD1 3.93Å; F209-L219 HydrophobicContact CE2-CD2 4.02Å; F209-L219 HydrophobicContact CE2-CG 4.3Å; F209-L219 HydrophobicContact CG-CB 3.97Å; F209-L219 HydrophobicContact CZ-CB 3.89Å; F209-L219 HydrophobicContact CZ-CD1 3.42Å; F209-L219 VanDerWaalsContact CZ-CD1 3.42Å; F209-L219 HydrophobicContact CZ-CD2 4.3Å; F209-L219 HydrophobicContact CZ-CG 4.07Å; F209-S220 VanDerWaalsContact O-CA 3.29Å; F209-S220 WeakPolarHBondContact O-CA 3.5Å; F209-G223 PolarHBondContact N-O 3.23Å; F209-A224 WeakPolarHBondContact O-CB 3.35Å; F209-F255 HydrophobicContact CE2-CD1 4.38Å; F209-F255 HydrophobicContact CE2-CE1 4.25Å; F209-F255 HydrophobicContact CZ-CD1 4.28Å; F209-F255 AromaticContact CZ-CE1 3.76Å; F209-F255 HydrophobicContact CZ-CE1 3.76Å; F209-W264 AromaticContact CD2-CD1 3.51Å; F209-W264 HydrophobicContact CD2-CD2 4.21Å; F209-W264 AromaticContact CD2-CE2 3.9Å; F209-W264 AromaticContact CD2-CG 3.97Å; F209-W264 HydrophobicContact CD2-CG 3.97Å; F209-W264 AromaticContact CD2-NE1 3.45Å; F209-W264 AromaticContact CE2-CD1 3.95Å; F209-W264 AromaticContact CE2-CD2 3.88Å; F209-W264 HydrophobicContact CE2-CD2 3.88Å; F209-W264 AromaticContact CE2-CE2 3.52Å; F209-W264 HydrophobicContact CE2-CG 4.13Å; F209-W264 AromaticContact CE2-CZ2 3.94Å; F209-W264 HydrophobicContact CE2-CZ2 3.94Å; F209-W264 AromaticContact CE2-NE1 3.58Å | ||
| 210 | P | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -74.1 | -24.1 | -174.9 | 28.8 | -36 | 0 | 0 | 0 | 113.7 | Y178 I203 S208 V212 S220 I231 Y232 | Y178-P210 HydrophobicContact CD2-CB 4.33Å; I203-P210 HydrophobicContact CG2-CG 4.3Å; I203-P210 WeakPolarHBondContact O-CD 3.35Å; I203-P210 WeakPolarHBondContact O-CG 3.23Å; S208-P210 VanDerWaalsContact C-CD 3.47Å; S208-P210 WeakPolarHBondContact O-CD 3.45Å; P210-V212 PolarHBondContact O-N 3.02Å; P210-S220 PolarHBondContact O-OG 3.25Å; P210-I231 CarbonylContact O-C 3.53Å; P210-I231 VanDerWaalsContact O-CA 3.23Å; P210-I231 WeakPolarHBondContact O-CA 3.38Å; P210-I231 WeakPolarHBondContact O-CB 3.41Å; P210-Y232 HydrophobicContact CB-CD2 3.8Å; P210-Y232 HydrophobicContact CB-CE2 3.79Å; P210-Y232 HydrophobicContact CG-CD2 3.99Å; P210-Y232 HydrophobicContact CG-CE2 3.77Å; P210-Y232 PolarHBondContact O-N 2.8Å | ||
| 211 | Y | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -63.7 | 122.7 | 179 | 173.8 | -108 | 0 | 0 | 0 | 112.4 | F209 S213 S220 M237 F255 E305 L306 V309 | F209-Y211 WeakPolarHBondContact CD1-O 3.4Å; F209-Y211 AromaticContact CE1-CD1 3.86Å; F209-Y211 HydrophobicContact CE1-CD1 3.86Å; F209-Y211 HydrophobicContact CE1-CG 4.41Å; F209-Y211 WeakPolarHBondContact CE1-O 3.5Å; F209-Y211 HydrophobicContact CZ-CD1 4.25Å; Y211-S213 PolarHBondContact O-N 2.82Å; Y211-S220 WeakPolarHBondContact O-CB 3.31Å; Y211-M237 HydrophobicContact CD2-CE 4.47Å; Y211-M237 HydrophobicContact CD2-CG 4.08Å; Y211-M237 HydrophobicContact CD2-SD 4.07Å; Y211-M237 HydrophobicContact CE2-CG 4Å; Y211-M237 HydrophobicContact CE2-SD 4.45Å; Y211-F255 AromaticContact CD1-CE1 3.96Å; Y211-F255 HydrophobicContact CD1-CE1 3.96Å; Y211-F255 AromaticContact CD1-CZ 3.8Å; Y211-F255 HydrophobicContact CD1-CZ 3.8Å; Y211-F255 HydrophobicContact CE1-CZ 4.29Å; Y211-F255 HydrophobicContact CG-CE1 4.4Å; Y211-F255 AromaticContact CG-CZ 3.97Å; Y211-F255 HydrophobicContact CG-CZ 3.97Å; Y211-E305 WeakPolarHBondContact CE1-OE1 3.16Å; Y211-E305 PolarHBondContact OH-OE1 3.46Å; Y211-L306 HydrophobicContact CD1-CD2 4.37Å; Y211-L306 HydrophobicContact CE1-CD2 3.67Å; Y211-V309 HydrophobicContact CE2-CG1 4.42Å; Y211-V309 WeakPolarHBondContact OH-CG2 3.49Å |
| 212 | V | 98.7 | Very high | 98.6 | Very high | 33 Ų | 33 | 35.7 Ų | 35.7 | 20% | 0.2 | 18% | 0.184 | C | C | . | . | trans | -83.6 | 99.9 | 177.2 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | P210 I231 Y232 | P210-V212 PolarHBondContact O-N 3.02Å; V212-I231 HydrophobicContact CG2-CB 3.86Å; V212-I231 HydrophobicContact CG2-CD1 3.81Å; V212-I231 HydrophobicContact CG2-CG1 4.16Å; V212-Y232 WeakPolarHBondContact CB-O 3.27Å; V212-Y232 WeakPolarHBondContact CG2-O 3.27Å; V212-Y232 PolarHBondContact N-O 2.98Å | ||
| 213 | S | 98.6 | Very high | 98.6 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | trans | -76.1 | 129.5 | 171.4 | 178.4 | 0 | 0 | 0 | 0 | 111.6 | Y211 T215 F216 P217 E305 | Y211-S213 PolarHBondContact O-N 2.82Å; S213-T215 PolarHBondContact OG-N 3.1Å; S213-F216 CarbonylContact O-C 3.48Å; S213-F216 PolarHBondContact OG-N 3.35Å; S213-P217 WeakPolarHBondContact O-CA 2.98Å; S213-E305 WeakPolarHBondContact CA-OE1 3.31Å; S213-E305 WeakPolarHBondContact CB-OE1 3.37Å; S213-E305 VanDerWaalsContact OG-CD 3.28Å; S213-E305 PolarHBondContact OG-OE1 3.04Å; S213-E305 PolarHBondContact OG-OE2 2.84Å | ||
| 214 | E | 98.1 | Very high | 98.6 | Very high | 145 Ų | 145 | 36.2 Ų | 36.2 | 68% | 0.678 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -73.5 | -37.1 | 174.2 | -65.7 | -171.3 | 138.8 | 0 | 0 | 111.3 | P234 E305 | E214-P234 HydrophobicContact CG-CG 4.07Å; E214-E305 PolarHBondContact N-OE1 2.61Å; E214-E305 PolarHBondContact N-OE2 3.28Å |
| 215 | T | 98.2 | Very high | 98.6 | Very high | 64 Ų | 64 | 40.9 Ų | 40.9 | 39% | 0.393 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -70.9 | -38.4 | 177.6 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | S213 Q301 E305 | S213-T215 PolarHBondContact OG-N 3.1Å; T215-Q301 HydrophobicContact CG2-CB 4.23Å; T215-E305 WeakPolarHBondContact CA-OE2 3.42Å; T215-E305 WeakPolarHBondContact CB-OE2 3.08Å; T215-E305 PolarHBondContact N-OE2 2.72Å; T215-E305 PolarHBondContact OG1-OE2 3.2Å |
| 216 | F | 98.5 | Very high | 98.5 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 9% | 0.092 | 22% | 0.224 | C | C | . | . | trans | -128 | 68.1 | -176.9 | -61.8 | -63.4 | 0 | 0 | 0 | 113.4 | S213 K218 L219 Y268 F298 Q301 L302 | S213-F216 CarbonylContact O-C 3.48Å; S213-F216 PolarHBondContact OG-N 3.35Å; F216-K218 PolarHBondContact O-N 2.87Å; F216-L219 HydrophobicContact CB-CD1 3.62Å; F216-L219 HydrophobicContact CB-CG 3.93Å; F216-L219 HydrophobicContact CD2-CD1 4.49Å; F216-L219 HydrophobicContact CG-CD1 4.42Å; F216-L219 WeakPolarHBondContact O-CB 3.45Å; F216-L219 PolarHBondContact O-N 3.12Å; F216-Y268 WeakPolarHBondContact CA-OH 3.42Å; F216-Y268 HydrophobicContact CB-CE2 3.66Å; F216-Y268 HydrophobicContact CD1-CE1 4.27Å; F216-Y268 HydrophobicContact CD1-CE2 4.18Å; F216-Y268 AromaticContact CD1-CZ 3.85Å; F216-Y268 HydrophobicContact CG-CE2 4.3Å; F216-F298 HydrophobicContact CB-CE2 4.25Å; F216-F298 HydrophobicContact CB-CZ 4.26Å; F216-F298 AromaticContact CD1-CD2 3.94Å; F216-F298 HydrophobicContact CD1-CD2 3.94Å; F216-F298 AromaticContact CD1-CE2 3.45Å; F216-F298 HydrophobicContact CD1-CE2 3.45Å; F216-F298 VanDerWaalsContact CD1-CE2 3.45Å; F216-F298 HydrophobicContact CD1-CZ 4.22Å; F216-F298 HydrophobicContact CD2-CD2 4.37Å; F216-F298 HydrophobicContact CD2-CE1 4.46Å; F216-F298 AromaticContact CD2-CE2 3.88Å; F216-F298 HydrophobicContact CD2-CE2 3.88Å; F216-F298 AromaticContact CD2-CZ 3.93Å; F216-F298 HydrophobicContact CD2-CZ 3.93Å; F216-F298 AromaticContact CE1-CD2 3.58Å; F216-F298 HydrophobicContact CE1-CD2 3.58Å; F216-F298 AromaticContact CE1-CE2 3.61Å; F216-F298 HydrophobicContact CE1-CE2 3.61Å; F216-F298 HydrophobicContact CE2-CD2 4.03Å; F216-F298 HydrophobicContact CE2-CE2 4.02Å; F216-F298 HydrophobicContact CE2-CG 4.34Å; F216-F298 HydrophobicContact CE2-CZ 4.29Å; F216-F298 WeakPolarHBondContact CE2-O 3.42Å; F216-F298 HydrophobicContact CG-CD2 4.32Å; F216-F298 AromaticContact CG-CE2 3.59Å; F216-F298 HydrophobicContact CG-CE2 3.59Å; F216-F298 AromaticContact CG-CZ 3.88Å; F216-F298 HydrophobicContact CG-CZ 3.88Å; F216-F298 AromaticContact CZ-CD2 3.63Å; F216-F298 HydrophobicContact CZ-CD2 3.63Å; F216-F298 AromaticContact CZ-CE2 3.89Å; F216-F298 HydrophobicContact CZ-CE2 3.89Å; F216-F298 HydrophobicContact CZ-CG 4.16Å; F216-Q301 HydrophobicContact CE2-CB 3.78Å; F216-Q301 HydrophobicContact CZ-CB 3.77Å; F216-L302 HydrophobicContact CD2-CB 4.29Å; F216-L302 HydrophobicContact CD2-CD1 4.44Å; F216-L302 HydrophobicContact CE2-CB 4.15Å | ||
| 217 | P | 98.3 | Very high | 98.4 | Very high | 67 Ų | 67 | 43.7 Ų | 43.7 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -23.1 | -173 | -26.2 | 35.5 | 0 | 0 | 0 | 115.6 | S213 L219 S221 | S213-P217 WeakPolarHBondContact O-CA 2.98Å; P217-L219 VanDerWaalsContact C-N 3.26Å; P217-L219 PolarHBondContact O-N 2.57Å; P217-S221 WeakPolarHBondContact O-CB 3.5Å; P217-S221 PolarHBondContact O-N 2.85Å; P217-S221 VanDerWaalsContact O-N 3.1Å; P217-S221 PolarHBondContact O-OG 2.98Å |
| 218 | K | 98.7 | Very high | 98.4 | Very high | 106 Ų | 106 | 49.1 Ų | 49.1 | 46% | 0.461 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.1 | -17.1 | 176.5 | -62.2 | 176.9 | -179 | 170.2 | 0 | 114 | F216 S221 K222 G267 Y268 | F216-K218 PolarHBondContact O-N 2.87Å; K218-S221 WeakPolarHBondContact CA-OG 3.48Å; K218-K222 WeakPolarHBondContact O-CB 3.5Å; K218-K222 PolarHBondContact O-N 3.22Å; K218-G267 VanDerWaalsContact O-CA 3.28Å; K218-G267 WeakPolarHBondContact O-CA 3.26Å; K218-Y268 HydrophobicContact CB-CD2 4.3Å; K218-Y268 HydrophobicContact CB-CE1 4.45Å; K218-Y268 HydrophobicContact CB-CE2 3.6Å; K218-Y268 HydrophobicContact CD-CE1 4.29Å |
| 219 | L | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.8 | -56.8 | 173.2 | -75.5 | 172.5 | 0 | 0 | 0 | 109.5 | F209 F216 P217 G223 W264 Y268 F298 L302 | F209-L219 HydrophobicContact CD1-CB 3.55Å; F209-L219 HydrophobicContact CD2-CB 4.3Å; F209-L219 HydrophobicContact CD2-CD2 4.18Å; F209-L219 HydrophobicContact CE1-CB 3.5Å; F209-L219 VanDerWaalsContact CE1-CB 3.5Å; F209-L219 HydrophobicContact CE1-CD1 3.8Å; F209-L219 HydrophobicContact CE1-CG 4.18Å; F209-L219 HydrophobicContact CE2-CB 4.27Å; F209-L219 HydrophobicContact CE2-CD1 3.93Å; F209-L219 HydrophobicContact CE2-CD2 4.02Å; F209-L219 HydrophobicContact CE2-CG 4.3Å; F209-L219 HydrophobicContact CG-CB 3.97Å; F209-L219 HydrophobicContact CZ-CB 3.89Å; F209-L219 HydrophobicContact CZ-CD1 3.42Å; F209-L219 VanDerWaalsContact CZ-CD1 3.42Å; F209-L219 HydrophobicContact CZ-CD2 4.3Å; F209-L219 HydrophobicContact CZ-CG 4.07Å; F216-L219 HydrophobicContact CB-CD1 3.62Å; F216-L219 HydrophobicContact CB-CG 3.93Å; F216-L219 HydrophobicContact CD2-CD1 4.49Å; F216-L219 HydrophobicContact CG-CD1 4.42Å; F216-L219 WeakPolarHBondContact O-CB 3.45Å; F216-L219 PolarHBondContact O-N 3.12Å; P217-L219 VanDerWaalsContact C-N 3.26Å; P217-L219 PolarHBondContact O-N 2.57Å; L219-G223 WeakPolarHBondContact O-CA 3.07Å; L219-G223 PolarHBondContact O-N 2.74Å; L219-W264 HydrophobicContact CD2-CB 3.81Å; L219-W264 HydrophobicContact CD2-CD2 4.31Å; L219-W264 HydrophobicContact CD2-CE3 4.43Å; L219-W264 HydrophobicContact CD2-CG 4.06Å; L219-Y268 HydrophobicContact CD2-CD2 3.99Å; L219-Y268 HydrophobicContact CD2-CE2 4.47Å; L219-Y268 HydrophobicContact CG-CD2 3.99Å; L219-Y268 HydrophobicContact CG-CE2 3.96Å; L219-F298 HydrophobicContact CD1-CE1 4.3Å; L219-F298 HydrophobicContact CD1-CZ 3.78Å; L219-F298 HydrophobicContact CD2-CE1 4.44Å; L219-F298 HydrophobicContact CD2-CZ 3.84Å; L219-F298 HydrophobicContact CG-CZ 4Å; L219-L302 HydrophobicContact CD1-CD1 4.27Å |
| 220 | S | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -74.5 | -48.6 | 178.7 | -172.7 | 0 | 0 | 0 | 0 | 113.4 | F209 P210 Y211 K222 G223 A224 I231 | F209-S220 VanDerWaalsContact O-CA 3.29Å; F209-S220 WeakPolarHBondContact O-CA 3.5Å; P210-S220 PolarHBondContact O-OG 3.25Å; Y211-S220 WeakPolarHBondContact O-CB 3.31Å; S220-K222 PolarHBondContact O-N 3.24Å; S220-G223 PolarHBondContact O-N 2.63Å; S220-A224 WeakPolarHBondContact O-CB 3.45Å; S220-A224 PolarHBondContact O-N 3.08Å; S220-I231 WeakPolarHBondContact OG-CG2 3.32Å |
| 221 | S | 98.5 | Very high | 98.3 | Very high | 60 Ų | 60 | 58 Ų | 58 | 42% | 0.42 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.8 | -13.5 | -173.8 | 58.4 | 0 | 0 | 0 | 0 | 114.8 | P217 K218 | P217-S221 WeakPolarHBondContact O-CB 3.5Å; P217-S221 PolarHBondContact O-N 2.85Å; P217-S221 VanDerWaalsContact O-N 3.1Å; P217-S221 PolarHBondContact O-OG 2.98Å; K218-S221 WeakPolarHBondContact CA-OG 3.48Å |
| 222 | K | 98.6 | Very high | 98.3 | Very high | 114 Ų | 114 | 57.8 Ų | 57.8 | 50% | 0.496 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -121.4 | -24.4 | 171.9 | -59.4 | -169 | 177.4 | -177.4 | 0 | 114.1 | K218 S220 K266 | K218-K222 WeakPolarHBondContact O-CB 3.5Å; K218-K222 PolarHBondContact O-N 3.22Å; S220-K222 PolarHBondContact O-N 3.24Å; K222-K266 HydrophobicContact CB-CB 4.07Å; K222-K266 WeakPolarHBondContact CD-O 3.5Å; K222-K266 WeakPolarHBondContact O-CB 3.48Å; K222-K266 VanDerWaalsContact O-CD 3.24Å; K222-K266 WeakPolarHBondContact O-CD 3.27Å |
| 223 | G | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -87.5 | -31.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S208 F209 L219 S220 S263 | S208-G223 WeakPolarHBondContact CA-O 3.48Å; F209-G223 PolarHBondContact N-O 3.23Å; L219-G223 WeakPolarHBondContact O-CA 3.07Å; L219-G223 PolarHBondContact O-N 2.74Å; S220-G223 PolarHBondContact O-N 2.63Å; G223-S263 WeakPolarHBondContact CA-O 3.23Å |
| 224 | A | 98.6 | Very high | 98.3 | Very high | 12 Ų | 12 | 60.8 Ų | 60.8 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -71.2 | 157.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S208 F209 S220 H226 I231 | S208-A224 WeakPolarHBondContact OG-CA 3.26Å; F209-A224 WeakPolarHBondContact O-CB 3.35Å; S220-A224 WeakPolarHBondContact O-CB 3.45Å; S220-A224 PolarHBondContact O-N 3.08Å; A224-H226 PolarHBondContact O-N 2.89Å; A224-I231 HydrophobicContact CB-CG2 3.74Å |
| 225 | F | 98.5 | Very high | 98.3 | Very high | 98 Ų | 98 | 59.9 Ų | 59.9 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -57.7 | -33.3 | 173 | -70.3 | -55.4 | 0 | 0 | 0 | 113.5 | S175 R176 Q207 S208 L230 | S175-F225 WeakPolarHBondContact O-CE2 3.23Å; S175-F225 WeakPolarHBondContact O-CZ 3.41Å; R176-F225 VanDerWaalsContact O-CZ 3.24Å; R176-F225 WeakPolarHBondContact O-CZ 3.47Å; Q207-F225 HydrophobicContact CB-CE1 4.29Å; Q207-F225 HydrophobicContact CB-CZ 3.92Å; S208-F225 PolarHBondContact OG-N 3.39Å; F225-L230 HydrophobicContact CB-CB 4.18Å; F225-L230 HydrophobicContact CB-CD1 3.56Å |
| 226 | H | 98.2 | Very high | 98.3 | Very high | 69 Ų | 69 | 58.7 Ų | 58.7 | 32% | 0.319 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -148.8 | 129 | 172 | -174.6 | -84 | 0 | 0 | 0 | 110.3 | A224 Y228 I229 L230 I231 | A224-H226 PolarHBondContact O-N 2.89Å; H226-Y228 AromaticContact CE1-CD2 3.95Å; H226-Y228 PolarHBondContact ND1-N 2.86Å; H226-Y228 PolarHBondContact O-N 3.31Å; H226-I229 HydrophobicContact CB-CD1 4.25Å; H226-I229 HydrophobicContact CB-CG1 3.83Å; H226-I229 VanDerWaalsContact ND1-CG1 3.35Å; H226-I229 WeakPolarHBondContact ND1-CG1 3.16Å; H226-I229 PolarHBondContact ND1-N 3.33Å; H226-L230 HydrophobicContact CB-CB 4.07Å; H226-L230 HydrophobicContact CB-CD1 4.05Å; H226-L230 HydrophobicContact CB-CG 3.94Å; H226-L230 PolarHBondContact O-N 2.63Å; H226-I231 WeakPolarHBondContact O-CG2 3.38Å |
| 227 | P | 96.6 | Very high | 98.3 | Very high | 46 Ų | 46 | 57.8 Ų | 57.8 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -7.2 | -167.7 | 26 | -36.3 | 0 | 0 | 0 | 116.1 | ||
| 228 | Y | 96.8 | Very high | 98.3 | Very high | 187 Ų | 187 | 61.6 Ų | 61.6 | 73% | 0.733 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.2 | -18.1 | -175.5 | -55.8 | -67.9 | 0 | 0 | 0 | 115.8 | H226 | H226-Y228 AromaticContact CE1-CD2 3.95Å; H226-Y228 PolarHBondContact ND1-N 2.86Å; H226-Y228 PolarHBondContact O-N 3.31Å |
| 229 | I | 97.3 | Very high | 98.3 | Very high | 113 Ų | 113 | 61.6 Ų | 61.6 | 58% | 0.579 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.4 | -20.2 | -169.1 | 79.2 | -162.7 | 0 | 0 | 0 | 113.4 | H226 | H226-I229 HydrophobicContact CB-CD1 4.25Å; H226-I229 HydrophobicContact CB-CG1 3.83Å; H226-I229 VanDerWaalsContact ND1-CG1 3.35Å; H226-I229 WeakPolarHBondContact ND1-CG1 3.16Å; H226-I229 PolarHBondContact ND1-N 3.33Å |
| 230 | L | 98.4 | Very high | 98.3 | Very high | 56 Ų | 56 | 61.6 Ų | 61.6 | 29% | 0.293 | 30% | 0.302 | S | S | . | . | B | Isolated β-bridge | trans | -116.3 | 55.2 | 176.5 | -57.2 | 179.5 | 0 | 0 | 0 | 108.3 | Y178 F225 H226 | Y178-L230 HydrophobicContact CD1-CB 4.43Å; Y178-L230 HydrophobicContact CD1-CD2 3.52Å; Y178-L230 VanDerWaalsContact CD2-C 3.49Å; Y178-L230 HydrophobicContact CD2-CB 4.02Å; Y178-L230 HydrophobicContact CE1-CD2 4.06Å; Y178-L230 VanDerWaalsContact CE2-C 3.48Å; Y178-L230 HydrophobicContact CG-CB 3.93Å; Y178-L230 HydrophobicContact CG-CD2 3.82Å; Y178-L230 HydrophobicContact CG-CG 4.43Å; F225-L230 HydrophobicContact CB-CB 4.18Å; F225-L230 HydrophobicContact CB-CD1 3.56Å; H226-L230 HydrophobicContact CB-CB 4.07Å; H226-L230 HydrophobicContact CB-CD1 4.05Å; H226-L230 HydrophobicContact CB-CG 3.94Å; H226-L230 PolarHBondContact O-N 2.63Å |
| 231 | I | 98.7 | Very high | 98.3 | Very high | 19 Ų | 19 | 61.9 Ų | 61.9 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -139.5 | 158.4 | -176 | 62.5 | 177 | 0 | 0 | 0 | 109.8 | Y178 P210 V212 S220 A224 H226 T233 | Y178-I231 PolarHBondContact OH-O 3.26Å; P210-I231 CarbonylContact O-C 3.53Å; P210-I231 VanDerWaalsContact O-CA 3.23Å; P210-I231 WeakPolarHBondContact O-CA 3.38Å; P210-I231 WeakPolarHBondContact O-CB 3.41Å; V212-I231 HydrophobicContact CG2-CB 3.86Å; V212-I231 HydrophobicContact CG2-CD1 3.81Å; V212-I231 HydrophobicContact CG2-CG1 4.16Å; S220-I231 WeakPolarHBondContact OG-CG2 3.32Å; A224-I231 HydrophobicContact CB-CG2 3.74Å; H226-I231 WeakPolarHBondContact O-CG2 3.38Å; I231-T233 HydrophobicContact CD1-CG2 4.03Å; I231-T233 HydrophobicContact CG1-CG2 4.26Å |
| 232 | Y | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -110.3 | 103.1 | 169.8 | -55.2 | -59.9 | 0 | 0 | 0 | 109.1 | T174 Y178 L179 L181 I184 W201 I203 P210 V212 M237 | T174-Y232 WeakPolarHBondContact CB-OH 3.47Å; T174-Y232 HydrophobicContact CG2-CE2 4.2Å; T174-Y232 VanDerWaalsContact CG2-OH 3.22Å; T174-Y232 WeakPolarHBondContact CG2-OH 3.43Å; Y178-Y232 HydrophobicContact CD2-CE1 4.2Å; Y178-Y232 HydrophobicContact CD2-CE2 4.33Å; Y178-Y232 AromaticContact CD2-CZ 3.83Å; Y178-Y232 AromaticContact CE2-CD1 3.91Å; Y178-Y232 HydrophobicContact CE2-CD1 3.91Å; Y178-Y232 AromaticContact CE2-CE1 3.32Å; Y178-Y232 HydrophobicContact CE2-CE1 3.32Å; Y178-Y232 HydrophobicContact CE2-CE2 4.09Å; Y178-Y232 AromaticContact CE2-CZ 3.41Å; Y178-Y232 VanDerWaalsContact CE2-CZ 3.41Å; Y178-Y232 AromaticContact CZ-CE1 3.66Å; L179-Y232 PolarHBondContact N-OH 3.29Å; L179-Y232 WeakPolarHBondContact O-CE1 3.28Å; L179-Y232 PolarHBondContact O-OH 3.42Å; L181-Y232 HydrophobicContact CD2-CD1 3.87Å; L181-Y232 HydrophobicContact CD2-CE1 4.05Å; I184-Y232 HydrophobicContact CD1-CE1 4.06Å; W201-Y232 HydrophobicContact CH2-CD2 4.32Å; W201-Y232 HydrophobicContact CH2-CG 4.34Å; W201-Y232 HydrophobicContact CZ2-CD1 4.42Å; W201-Y232 AromaticContact CZ2-CD2 3.81Å; W201-Y232 HydrophobicContact CZ2-CD2 3.81Å; W201-Y232 HydrophobicContact CZ2-CE1 4.25Å; W201-Y232 AromaticContact CZ2-CE2 3.62Å; W201-Y232 HydrophobicContact CZ2-CE2 3.62Å; W201-Y232 HydrophobicContact CZ2-CG 4.22Å; W201-Y232 AromaticContact CZ2-CZ 3.86Å; I203-Y232 HydrophobicContact CG2-CD2 4.35Å; P210-Y232 HydrophobicContact CB-CD2 3.8Å; P210-Y232 HydrophobicContact CB-CE2 3.79Å; P210-Y232 HydrophobicContact CG-CD2 3.99Å; P210-Y232 HydrophobicContact CG-CE2 3.77Å; P210-Y232 PolarHBondContact O-N 2.8Å; V212-Y232 WeakPolarHBondContact CB-O 3.27Å; V212-Y232 WeakPolarHBondContact CG2-O 3.27Å; V212-Y232 PolarHBondContact N-O 2.98Å; Y232-M237 HydrophobicContact CG-SD 4.4Å |
| 233 | T | 98.6 | Very high | 98.4 | Very high | 43 Ų | 43 | 57.2 Ų | 57.2 | 26% | 0.264 | 28% | 0.277 | S | S | . | . | trans | -70.1 | 163.8 | 178.1 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | I231 N235 D236 M237 | I231-T233 HydrophobicContact CD1-CG2 4.03Å; I231-T233 HydrophobicContact CG1-CG2 4.26Å; T233-N235 PolarHBondContact O-N 3.34Å; T233-N235 VanDerWaalsContact O-N 3.12Å; T233-D236 VanDerWaalsContact CB-OD2 3.31Å; T233-D236 WeakPolarHBondContact CB-OD2 2.98Å; T233-D236 WeakPolarHBondContact CG2-OD2 3.29Å; T233-D236 PolarHBondContact N-OD2 2.94Å; T233-D236 WeakPolarHBondContact O-CB 3.35Å; T233-D236 PolarHBondContact O-N 3.15Å; T233-D236 PolarHBondContact OG1-N 3.15Å; T233-D236 PolarHBondContact OG1-OD2 3.49Å; T233-M237 WeakPolarHBondContact O-CG 3.38Å; T233-M237 PolarHBondContact O-N 2.86Å | ||
| 234 | P | 98.6 | Very high | 98.4 | Very high | 54 Ų | 54 | 57.2 Ų | 57.2 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -54.2 | -32.7 | 174.6 | -29.1 | 37 | 0 | 0 | 0 | 113.9 | E214 K238 | E214-P234 HydrophobicContact CG-CG 4.07Å; P234-K238 WeakPolarHBondContact O-CB 3.49Å; P234-K238 PolarHBondContact O-N 3.1Å |
| 235 | N | 98.5 | Very high | 98.4 | Very high | 126 Ų | 126 | 56.9 Ų | 56.9 | 67% | 0.674 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -70.3 | -41.5 | 175.3 | -73.4 | -27.3 | 0 | 0 | 0 | 112.1 | T233 M237 K238 Y239 | T233-N235 PolarHBondContact O-N 3.34Å; T233-N235 VanDerWaalsContact O-N 3.12Å; N235-M237 VanDerWaalsContact C-N 3.31Å; N235-M237 PolarHBondContact O-N 3.36Å; N235-K238 PolarHBondContact O-N 3.13Å; N235-Y239 VanDerWaalsContact O-CB 3.23Å; N235-Y239 WeakPolarHBondContact O-CB 3.37Å; N235-Y239 PolarHBondContact O-N 2.98Å |
| 236 | D | 98.7 | Very high | 98.4 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 21% | 0.209 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 176.5 | -56.2 | -37.7 | 0 | 0 | 0 | 110.6 | L181 T233 Y239 I240 | L181-D236 HydrophobicContact CD1-CB 3.95Å; L181-D236 WeakPolarHBondContact CD1-OD1 3.27Å; L181-D236 HydrophobicContact CD2-CB 3.96Å; T233-D236 VanDerWaalsContact CB-OD2 3.31Å; T233-D236 WeakPolarHBondContact CB-OD2 2.98Å; T233-D236 WeakPolarHBondContact CG2-OD2 3.29Å; T233-D236 PolarHBondContact N-OD2 2.94Å; T233-D236 WeakPolarHBondContact O-CB 3.35Å; T233-D236 PolarHBondContact O-N 3.15Å; T233-D236 PolarHBondContact OG1-N 3.15Å; T233-D236 PolarHBondContact OG1-OD2 3.49Å; D236-Y239 PolarHBondContact O-N 2.89Å; D236-I240 WeakPolarHBondContact O-CG1 3.42Å; D236-I240 PolarHBondContact O-N 2.81Å |
| 237 | M | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.5 | -51.7 | 175.7 | -66.4 | -53.5 | -53.7 | 0 | 0 | 111.3 | W201 Y211 Y232 T233 N235 Y239 I240 L241 V309 F310 | W201-M237 HydrophobicContact CE3-CE 4.36Å; W201-M237 HydrophobicContact CH2-CE 4.06Å; W201-M237 HydrophobicContact CH2-SD 3.85Å; W201-M237 HydrophobicContact CZ3-CE 3.6Å; W201-M237 HydrophobicContact CZ3-SD 4.03Å; Y211-M237 HydrophobicContact CD2-CE 4.47Å; Y211-M237 HydrophobicContact CD2-CG 4.08Å; Y211-M237 HydrophobicContact CD2-SD 4.07Å; Y211-M237 HydrophobicContact CE2-CG 4Å; Y211-M237 HydrophobicContact CE2-SD 4.45Å; Y232-M237 HydrophobicContact CG-SD 4.4Å; T233-M237 WeakPolarHBondContact O-CG 3.38Å; T233-M237 PolarHBondContact O-N 2.86Å; N235-M237 VanDerWaalsContact C-N 3.31Å; N235-M237 PolarHBondContact O-N 3.36Å; M237-Y239 PolarHBondContact O-N 2.85Å; M237-I240 PolarHBondContact O-N 2.89Å; M237-L241 VanDerWaalsContact O-CB 3.31Å; M237-L241 WeakPolarHBondContact O-CB 3.38Å; M237-L241 WeakPolarHBondContact O-CD1 3.37Å; M237-L241 WeakPolarHBondContact O-CG 3.38Å; M237-L241 PolarHBondContact O-N 3.19Å; M237-V309 HydrophobicContact CB-CG1 4.22Å; M237-F310 HydrophobicContact CE-CE1 3.68Å; M237-F310 HydrophobicContact CE-CE2 4.17Å; M237-F310 HydrophobicContact CE-CZ 3.29Å |
| 238 | K | 98.5 | Very high | 98.5 | Very high | 148 Ų | 148 | 47.6 Ų | 47.6 | 64% | 0.643 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -56.2 | -42.5 | 176.4 | -178.4 | 177 | -179.8 | 176.8 | 0 | 111.4 | P234 N235 N242 | P234-K238 WeakPolarHBondContact O-CB 3.49Å; P234-K238 PolarHBondContact O-N 3.1Å; N235-K238 PolarHBondContact O-N 3.13Å; K238-N242 WeakPolarHBondContact O-CB 3.41Å; K238-N242 PolarHBondContact O-N 2.62Å; K238-N242 VanDerWaalsContact O-N 3.08Å |
| 239 | Y | 98.7 | Very high | 98.6 | Very high | 106 Ų | 106 | 38.9 Ų | 38.9 | 42% | 0.416 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.2 | -51.9 | -179.4 | 174.7 | -93.4 | 0 | 0 | 0 | 112.1 | E185 N235 D236 M237 L241 N242 Y243 | E185-Y239 HydrophobicContact CG-CE1 4.26Å; E185-Y239 WeakPolarHBondContact OE1-CE1 3.31Å; E185-Y239 PolarHBondContact OE1-OH 3.1Å; N235-Y239 VanDerWaalsContact O-CB 3.23Å; N235-Y239 WeakPolarHBondContact O-CB 3.37Å; N235-Y239 PolarHBondContact O-N 2.98Å; D236-Y239 PolarHBondContact O-N 2.89Å; M237-Y239 PolarHBondContact O-N 2.85Å; Y239-L241 PolarHBondContact O-N 2.87Å; Y239-N242 PolarHBondContact O-N 2.79Å; Y239-Y243 HydrophobicContact CE1-CD2 4.45Å; Y239-Y243 WeakPolarHBondContact O-CB 3.32Å; Y239-Y243 PolarHBondContact O-N 3.22Å |
| 240 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -40.5 | -179.7 | -70.8 | -61.7 | 0 | 0 | 0 | 111.9 | L181 I184 E185 L188 W201 D236 M237 N242 Y243 A244 I251 | L181-I240 HydrophobicContact CB-CD1 4.23Å; L181-I240 HydrophobicContact CD2-CD1 4.15Å; L181-I240 HydrophobicContact CD2-CG1 3.77Å; I184-I240 HydrophobicContact CB-CD1 4.28Å; I184-I240 HydrophobicContact CG2-CD1 4.09Å; I184-I240 HydrophobicContact CG2-CG2 3.94Å; E185-I240 HydrophobicContact CG-CD1 4.17Å; L188-I240 HydrophobicContact CD1-CG2 4.37Å; W201-I240 HydrophobicContact CH2-CG2 4.31Å; W201-I240 HydrophobicContact CZ3-CG2 3.88Å; D236-I240 WeakPolarHBondContact O-CG1 3.42Å; D236-I240 PolarHBondContact O-N 2.81Å; M237-I240 PolarHBondContact O-N 2.89Å; I240-N242 VanDerWaalsContact C-N 3.35Å; I240-N242 PolarHBondContact O-N 3.05Å; I240-Y243 WeakPolarHBondContact O-CB 3.36Å; I240-Y243 PolarHBondContact O-N 3.18Å; I240-A244 PolarHBondContact O-N 3.33Å; I240-I251 HydrophobicContact CG2-CD1 3.71Å |
| 241 | L | 98.8 | Very high | 98.7 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 175.5 | -72.1 | 164.8 | 0 | 0 | 0 | 111.2 | W105 M237 Y239 A244 R245 I251 V309 F310 | W105-L241 HydrophobicContact CH2-CB 4.16Å; W105-L241 HydrophobicContact CZ3-CB 4.27Å; M237-L241 VanDerWaalsContact O-CB 3.31Å; M237-L241 WeakPolarHBondContact O-CB 3.38Å; M237-L241 WeakPolarHBondContact O-CD1 3.37Å; M237-L241 WeakPolarHBondContact O-CG 3.38Å; M237-L241 PolarHBondContact O-N 3.19Å; Y239-L241 PolarHBondContact O-N 2.87Å; L241-A244 PolarHBondContact O-N 2.69Å; L241-R245 WeakPolarHBondContact O-CB 3.21Å; L241-R245 PolarHBondContact O-N 3.03Å; L241-I251 HydrophobicContact CD2-CB 3.85Å; L241-I251 HydrophobicContact CD2-CD1 3.88Å; L241-I251 HydrophobicContact CD2-CG1 4.15Å; L241-I251 HydrophobicContact CD2-CG2 4.3Å; L241-I251 HydrophobicContact CG-CD1 4.46Å; L241-V309 HydrophobicContact CD1-CG1 4.12Å; L241-V309 WeakPolarHBondContact CD1-O 3.3Å; L241-F310 HydrophobicContact CD2-CD1 3.77Å; L241-F310 HydrophobicContact CD2-CE1 4.14Å |
| 242 | N | 98.6 | Very high | 98.7 | Very high | 39 Ų | 39 | 30.5 Ų | 30.5 | 21% | 0.209 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.9 | -37.4 | 175.5 | -175.6 | 59.9 | 0 | 0 | 0 | 111.9 | K238 Y239 I240 A244 R245 L246 | K238-N242 WeakPolarHBondContact O-CB 3.41Å; K238-N242 PolarHBondContact O-N 2.62Å; K238-N242 VanDerWaalsContact O-N 3.08Å; Y239-N242 PolarHBondContact O-N 2.79Å; I240-N242 VanDerWaalsContact C-N 3.35Å; I240-N242 PolarHBondContact O-N 3.05Å; N242-A244 VanDerWaalsContact C-N 3.34Å; N242-A244 PolarHBondContact O-N 3.41Å; N242-R245 WeakPolarHBondContact O-CB 3.47Å; N242-R245 PolarHBondContact O-N 3.39Å; N242-R245 VanDerWaalsContact OD1-CZ 3.29Å; N242-R245 PolarHBondContact OD1-NE 3.19Å; N242-R245 PolarHBondContact OD1-NH2 3.29Å; N242-L246 VanDerWaalsContact O-CG 3.32Å; N242-L246 WeakPolarHBondContact O-CG 3.18Å; N242-L246 PolarHBondContact O-N 3.24Å |
| 243 | Y | 98.9 | Very high | 98.7 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 15% | 0.145 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.6 | -43 | 176.9 | -165 | -89 | 0 | 0 | 0 | 112.1 | E185 L188 D189 Y239 I240 R247 | E185-Y243 HydrophobicContact CB-CD1 4.28Å; E185-Y243 HydrophobicContact CB-CE1 3.64Å; E185-Y243 HydrophobicContact CB-CE2 4.29Å; E185-Y243 HydrophobicContact CG-CD1 4.07Å; E185-Y243 HydrophobicContact CG-CD2 4.06Å; E185-Y243 HydrophobicContact CG-CE1 3.82Å; E185-Y243 HydrophobicContact CG-CE2 3.82Å; E185-Y243 HydrophobicContact CG-CG 4.17Å; E185-Y243 WeakPolarHBondContact O-CE1 3.49Å; L188-Y243 HydrophobicContact CB-CD1 4.23Å; L188-Y243 HydrophobicContact CB-CE1 4.3Å; L188-Y243 HydrophobicContact CD1-CD1 3.84Å; D189-Y243 PolarHBondContact OD2-OH 2.75Å; Y239-Y243 HydrophobicContact CE1-CD2 4.45Å; Y239-Y243 WeakPolarHBondContact O-CB 3.32Å; Y239-Y243 PolarHBondContact O-N 3.22Å; I240-Y243 WeakPolarHBondContact O-CB 3.36Å; I240-Y243 PolarHBondContact O-N 3.18Å; Y243-R247 WeakPolarHBondContact O-CD 3.35Å; Y243-R247 PolarHBondContact O-NH1 3.19Å; Y243-R247 PolarHBondContact OH-NH2 3.41Å |
| 244 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67 | -42.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L188 I240 L241 N242 L246 R247 G248 I249 I251 | L188-A244 HydrophobicContact CD1-CB 3.92Å; L188-A244 HydrophobicContact CD2-CB 3.84Å; I240-A244 PolarHBondContact O-N 3.33Å; L241-A244 PolarHBondContact O-N 2.69Å; N242-A244 VanDerWaalsContact C-N 3.34Å; N242-A244 PolarHBondContact O-N 3.41Å; A244-L246 VanDerWaalsContact C-N 3.33Å; A244-L246 PolarHBondContact O-N 3.2Å; A244-R247 CarbonylContact O-C 3.29Å; A244-R247 WeakPolarHBondContact O-CA 3.3Å; A244-R247 WeakPolarHBondContact O-CB 3.39Å; A244-R247 PolarHBondContact O-N 2.96Å; A244-G248 PolarHBondContact O-N 2.98Å; A244-I249 CarbonylContact C-O 3.58Å; A244-I249 HydrophobicContact CB-CB 4.16Å; A244-I249 HydrophobicContact CB-CG2 4.37Å; A244-I249 WeakPolarHBondContact CB-O 3.47Å; A244-I249 PolarHBondContact O-N 3.49Å; A244-I251 HydrophobicContact CB-CD1 3.76Å; A244-I251 HydrophobicContact CB-CG1 3.76Å |
| 245 | R | 98.7 | Very high | 98.7 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.015 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -54 | -46.3 | 175.9 | -173.7 | -174.1 | 73.2 | 83.5 | -10.5 | 112.5 | E99 L104 W105 L241 N242 R247 G248 | E99-R245 IonicContact OE1-CZ 3.83Å; E99-R245 IonicContact OE1-NH1 3.85Å; E99-R245 PolarHBondContact OE1-NH1 3.35Å; E99-R245 IonicContact OE1-NH2 3.29Å; L104-R245 VanDerWaalsContact O-CD 3.32Å; L104-R245 WeakPolarHBondContact O-CD 3.35Å; L104-R245 VanDerWaalsContact O-CG 3.31Å; L104-R245 WeakPolarHBondContact O-CG 3.33Å; L104-R245 PolarHBondContact O-NH1 3.04Å; W105-R245 VanDerWaalsContact CD2-CD 3.4Å; W105-R245 HydrophobicContact CD2-CG 3.97Å; W105-R245 VanDerWaalsContact CE2-CD 3.5Å; W105-R245 HydrophobicContact CE3-CB 3.86Å; W105-R245 VanDerWaalsContact CE3-CD 3.44Å; W105-R245 HydrophobicContact CE3-CG 3.62Å; W105-R245 HydrophobicContact CH2-CB 4.33Å; W105-R245 HydrophobicContact CH2-CG 4.47Å; W105-R245 HydrophobicContact CZ3-CB 3.67Å; W105-R245 HydrophobicContact CZ3-CG 3.89Å; L241-R245 WeakPolarHBondContact O-CB 3.21Å; L241-R245 PolarHBondContact O-N 3.03Å; N242-R245 WeakPolarHBondContact O-CB 3.47Å; N242-R245 PolarHBondContact O-N 3.39Å; N242-R245 VanDerWaalsContact OD1-CZ 3.29Å; N242-R245 PolarHBondContact OD1-NE 3.19Å; N242-R245 PolarHBondContact OD1-NH2 3.29Å; R245-R247 PolarHBondContact O-N 2.95Å; R245-R247 VanDerWaalsContact O-N 3.09Å; R245-G248 PolarHBondContact O-N 2.9Å |
| 246 | L | 98.7 | Very high | 98.7 | Very high | 7 Ų | 7 | 20 Ų | 20 | 4% | 0.037 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -13.4 | 177.8 | -63.3 | 173.2 | 0 | 0 | 0 | 113.6 | Y55 I56 D59 R63 N242 A244 | Y55-L246 HydrophobicContact CD1-CD2 3.53Å; Y55-L246 HydrophobicContact CE1-CD1 3.88Å; Y55-L246 HydrophobicContact CE1-CD2 3.73Å; Y55-L246 HydrophobicContact CE1-CG 4.44Å; I56-L246 HydrophobicContact CB-CD2 4.48Å; I56-L246 HydrophobicContact CG1-CD2 3.98Å; D59-L246 HydrophobicContact CB-CD1 4.38Å; D59-L246 HydrophobicContact CB-CD2 4.33Å; R63-L246 PolarHBondContact NH2-O 2.92Å; N242-L246 VanDerWaalsContact O-CG 3.32Å; N242-L246 WeakPolarHBondContact O-CG 3.18Å; N242-L246 PolarHBondContact O-N 3.24Å; A244-L246 VanDerWaalsContact C-N 3.33Å; A244-L246 PolarHBondContact O-N 3.2Å |
| 247 | R | 98.7 | Very high | 98.7 | Very high | 9 Ų | 9 | 18.1 Ų | 18.1 | 3% | 0.034 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 2.8 | 175.2 | -72.3 | 156.6 | 179.4 | 72 | 6.3 | 113.1 | R63 D189 Y243 A244 R245 I249 | R63-R247 VanDerWaalsContact CD-NH2 3.32Å; D189-R247 VanDerWaalsContact CG-NE 3.34Å; D189-R247 IonicContact OD1-CZ 3.35Å; D189-R247 VanDerWaalsContact OD1-CZ 3.26Å; D189-R247 IonicContact OD1-NE 3.55Å; D189-R247 PolarHBondContact OD1-NE 3Å; D189-R247 IonicContact OD1-NH2 3.65Å; D189-R247 PolarHBondContact OD1-NH2 2.89Å; D189-R247 IonicContact OD2-CZ 2.73Å; D189-R247 IonicContact OD2-NE 3.73Å; D189-R247 IonicContact OD2-NH2 3.99Å; D189-R247 PolarHBondContact OD2-NH2 2.79Å; Y243-R247 WeakPolarHBondContact O-CD 3.35Å; Y243-R247 PolarHBondContact O-NH1 3.19Å; Y243-R247 PolarHBondContact OH-NH2 3.41Å; A244-R247 CarbonylContact O-C 3.29Å; A244-R247 WeakPolarHBondContact O-CA 3.3Å; A244-R247 WeakPolarHBondContact O-CB 3.39Å; A244-R247 PolarHBondContact O-N 2.96Å; R245-R247 PolarHBondContact O-N 2.95Å; R245-R247 VanDerWaalsContact O-N 3.09Å; R247-I249 HydrophobicContact CB-CD1 3.91Å; R247-I249 HydrophobicContact CB-CG1 4.09Å; R247-I249 PolarHBondContact O-N 3.44Å |
| 248 | G | 98.6 | Very high | 98.7 | Very high | 3 Ų | 3 | 18.1 Ų | 18.1 | 3% | 0.031 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 26.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | M110 W131 A244 R245 | M110-G248 WeakPolarHBondContact CE-O 3.15Å; W131-G248 VanDerWaalsContact CE3-CA 3.47Å; A244-G248 PolarHBondContact O-N 2.98Å; R245-G248 PolarHBondContact O-N 2.9Å |
| 249 | I | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 11.3 Ų | 11.3 | 2% | 0.015 | 5% | 0.051 | C | C | . | . | trans | -104.2 | 123.8 | 179.6 | -61.6 | 169.9 | 0 | 0 | 0 | 108.4 | L188 M191 N197 L199 A244 R247 | L188-I249 HydrophobicContact CB-CD1 4.32Å; L188-I249 HydrophobicContact CD2-CB 4.22Å; L188-I249 HydrophobicContact CD2-CD1 3.9Å; L188-I249 HydrophobicContact CD2-CG2 3.71Å; L188-I249 WeakPolarHBondContact O-CD1 3.32Å; M191-I249 HydrophobicContact CB-CD1 3.84Å; M191-I249 HydrophobicContact CE-CG2 4.05Å; N197-I249 WeakPolarHBondContact O-CA 3.49Å; L199-I249 HydrophobicContact CB-CG2 4.14Å; A244-I249 CarbonylContact C-O 3.58Å; A244-I249 HydrophobicContact CB-CB 4.16Å; A244-I249 HydrophobicContact CB-CG2 4.37Å; A244-I249 WeakPolarHBondContact CB-O 3.47Å; A244-I249 PolarHBondContact O-N 3.49Å; R247-I249 HydrophobicContact CB-CD1 3.91Å; R247-I249 HydrophobicContact CB-CG1 4.09Å; R247-I249 PolarHBondContact O-N 3.44Å | ||
| 250 | R | 98.8 | Very high | 98.6 | Very high | 7 Ų | 7 | 7.3 Ų | 7.3 | 3% | 0.026 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 148.3 | 168.1 | -68.9 | 160.8 | 42.3 | 120 | 3.6 | 109.8 | P106 E108 N197 V198 L199 D312 W314 | P106-R250 HydrophobicContact CB-CG 4.04Å; P106-R250 HydrophobicContact CG-CG 4.03Å; E108-R250 IonicContact OE2-CZ 3.46Å; E108-R250 IonicContact OE2-NH1 3.67Å; E108-R250 PolarHBondContact OE2-NH1 3.12Å; N197-R250 PolarHBondContact O-N 3.16Å; V198-R250 CarbonylContact C-O 3.21Å; V198-R250 WeakPolarHBondContact CA-O 3.38Å; V198-R250 HydrophobicContact CG2-CB 4.28Å; L199-R250 PolarHBondContact N-O 2.69Å; R250-D312 WeakPolarHBondContact CB-OD2 3.47Å; R250-D312 WeakPolarHBondContact CD-OD2 3.46Å; R250-D312 VanDerWaalsContact CG-OD2 3.3Å; R250-D312 WeakPolarHBondContact CG-OD2 3.45Å; R250-D312 VanDerWaalsContact CZ-CG 3.48Å; R250-D312 IonicContact CZ-OD1 3.51Å; R250-D312 IonicContact CZ-OD2 2.85Å; R250-D312 IonicContact NE-OD1 2.81Å; R250-D312 IonicContact NE-OD2 3.05Å; R250-D312 PolarHBondContact NE-OD2 3.09Å; R250-D312 IonicContact NH1-OD2 3.59Å; R250-D312 PolarHBondContact NH1-OD2 3.05Å; R250-D312 VanDerWaalsContact NH2-CG 3.28Å; R250-D312 IonicContact NH2-OD1 2.85Å; R250-D312 PolarHBondContact NH2-OD1 3.27Å; R250-D312 IonicContact NH2-OD2 3.69Å; R250-D312 PolarHBondContact NH2-OD2 3.41Å; R250-D312 VanDerWaalsContact NH2-OD2 3.1Å; R250-W314 VanDerWaalsContact NH2-CD1 3.32Å |
| 251 | I | 98.9 | Very high | 98.6 | Very high | 6 Ų | 6 | 7.3 Ų | 7.3 | 3% | 0.031 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 108.5 | 168.4 | -58.9 | -167 | 0 | 0 | 0 | 107.5 | L199 W201 I240 L241 A244 P253 F310 D312 | L199-I251 HydrophobicContact CB-CG1 4.34Å; L199-I251 HydrophobicContact CD2-CD1 4.25Å; L199-I251 HydrophobicContact CD2-CG1 4.39Å; L199-I251 WeakPolarHBondContact O-CA 3.42Å; W201-I251 HydrophobicContact CB-CG2 4.14Å; W201-I251 HydrophobicContact CE3-CD1 4.48Å; W201-I251 HydrophobicContact CE3-CG2 3.84Å; I240-I251 HydrophobicContact CG2-CD1 3.71Å; L241-I251 HydrophobicContact CD2-CB 3.85Å; L241-I251 HydrophobicContact CD2-CD1 3.88Å; L241-I251 HydrophobicContact CD2-CG1 4.15Å; L241-I251 HydrophobicContact CD2-CG2 4.3Å; L241-I251 HydrophobicContact CG-CD1 4.46Å; A244-I251 HydrophobicContact CB-CD1 3.76Å; A244-I251 HydrophobicContact CB-CG1 3.76Å; I251-P253 WeakPolarHBondContact O-CD 3.42Å; I251-F310 HydrophobicContact CG2-CD1 4.2Å; I251-F310 HydrophobicContact CG2-CE1 3.95Å; I251-D312 WeakPolarHBondContact O-CB 3.42Å |
| 252 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 107.7 | 171.9 | 177.8 | 174.8 | 76.9 | 0 | 0 | 107.4 | V198 L199 H200 W201 W314 H316 V374 L415 E456 | V198-M252 HydrophobicContact CG1-CB 3.89Å; L199-M252 PolarHBondContact O-N 3.36Å; H200-M252 WeakPolarHBondContact CA-O 3.47Å; H200-M252 HydrophobicContact CB-CE 3.84Å; H200-M252 VanDerWaalsContact CG-CE 3.45Å; W201-M252 PolarHBondContact N-O 2.87Å; M252-W314 HydrophobicContact CG-CB 4.07Å; M252-W314 WeakPolarHBondContact CG-O 3.38Å; M252-W314 HydrophobicContact SD-CB 3.8Å; M252-W314 HydrophobicContact SD-CE3 4.27Å; M252-H316 HydrophobicContact CE-CB 4.45Å; M252-V374 HydrophobicContact SD-CG2 3.87Å; M252-L415 HydrophobicContact CE-CD2 4.43Å; M252-E456 WeakPolarHBondContact CE-OE1 3.39Å |
| 253 | P | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 147.4 | 178.7 | 32.5 | -36.1 | 0 | 0 | 0 | 111.1 | I203 I251 F255 F310 F315 H316 | I203-P253 HydrophobicContact CD1-CB 4.09Å; I251-P253 WeakPolarHBondContact O-CD 3.42Å; P253-F255 HydrophobicContact CB-CD2 4.35Å; P253-F255 HydrophobicContact CB-CE2 4.16Å; P253-F310 HydrophobicContact CB-CD1 3.89Å; P253-F310 HydrophobicContact CB-CD2 4.13Å; P253-F310 HydrophobicContact CB-CE1 3.71Å; P253-F310 HydrophobicContact CB-CE2 3.95Å; P253-F310 HydrophobicContact CB-CG 4.1Å; P253-F310 HydrophobicContact CB-CZ 3.73Å; P253-F310 HydrophobicContact CG-CB 4.12Å; P253-F310 HydrophobicContact CG-CD1 3.77Å; P253-F310 HydrophobicContact CG-CD2 3.9Å; P253-F310 HydrophobicContact CG-CE1 4.13Å; P253-F310 HydrophobicContact CG-CE2 4.25Å; P253-F310 HydrophobicContact CG-CG 3.65Å; P253-F310 HydrophobicContact CG-CZ 4.35Å; P253-F315 HydrophobicContact CG-CD1 3.45Å; P253-F315 VanDerWaalsContact CG-CD1 3.45Å; P253-F315 HydrophobicContact CG-CE1 3.44Å; P253-F315 VanDerWaalsContact CG-CE1 3.44Å; P253-F315 HydrophobicContact CG-CG 4.24Å; P253-F315 HydrophobicContact CG-CZ 4.24Å; P253-H316 PolarHBondContact O-N 3.24Å |
| 254 | E | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126.4 | 166.7 | -177.5 | 169.1 | -150.3 | 0 | 0 | 111 | H200 W201 H202 D256 H316 W376 | H200-E254 IonicContact CE1-OE2 2.78Å; H200-E254 WeakPolarHBondContact NE2-CB 3.41Å; H200-E254 IonicContact NE2-OE2 3.52Å; H200-E254 PolarHBondContact NE2-OE2 3.44Å; H200-E254 VanDerWaalsContact NE2-OE2 3.16Å; W201-E254 PolarHBondContact O-N 3.11Å; H202-E254 IonicContact CE1-OE2 2.78Å; H202-E254 IonicContact CG-OE2 2.79Å; H202-E254 VanDerWaalsContact ND1-CD 3.26Å; H202-E254 IonicContact ND1-OE1 3.24Å; H202-E254 IonicContact ND1-OE2 3.81Å; H202-E254 PolarHBondContact ND1-OE2 3.26Å; E254-D256 HydrophobicContact CG-CB 4.43Å; E254-H316 WeakPolarHBondContact CA-O 3.33Å; E254-H316 HydrophobicContact CB-CB 3.74Å; E254-H316 VanDerWaalsContact CD-ND1 3.34Å; E254-H316 HydrophobicContact CG-CB 3.85Å; E254-H316 IonicContact OE1-CE1 2.8Å; E254-H316 PolarHBondContact OE1-CE1 2.86Å; E254-H316 IonicContact OE1-CG 3.61Å; E254-H316 IonicContact OE1-ND1 2.7Å; E254-H316 PolarHBondContact OE1-ND1 2.97Å; E254-W376 PolarHBondContact OE1-NE1 2.92Å |
| 255 | F | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 7.3 Ų | 7.3 | 0% | 0.004 | 4% | 0.04 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 89.9 | 168.2 | -76.6 | -104.3 | 0 | 0 | 0 | 107 | I203 V204 F209 Y211 P253 T257 W264 L302 L306 F310 H316 | I203-F255 HydrophobicContact CD1-CE2 3.97Å; I203-F255 HydrophobicContact CD1-CZ 4.32Å; V204-F255 HydrophobicContact CG1-CD1 4.31Å; V204-F255 HydrophobicContact CG1-CE1 3.89Å; V204-F255 HydrophobicContact CG1-CZ 4.5Å; V204-F255 HydrophobicContact CG2-CB 4.41Å; V204-F255 HydrophobicContact CG2-CD1 3.53Å; V204-F255 HydrophobicContact CG2-CE1 3.98Å; V204-F255 HydrophobicContact CG2-CG 4.1Å; F209-F255 HydrophobicContact CE2-CD1 4.38Å; F209-F255 HydrophobicContact CE2-CE1 4.25Å; F209-F255 HydrophobicContact CZ-CD1 4.28Å; F209-F255 AromaticContact CZ-CE1 3.76Å; F209-F255 HydrophobicContact CZ-CE1 3.76Å; Y211-F255 AromaticContact CD1-CE1 3.96Å; Y211-F255 HydrophobicContact CD1-CE1 3.96Å; Y211-F255 AromaticContact CD1-CZ 3.8Å; Y211-F255 HydrophobicContact CD1-CZ 3.8Å; Y211-F255 HydrophobicContact CE1-CZ 4.29Å; Y211-F255 HydrophobicContact CG-CE1 4.4Å; Y211-F255 AromaticContact CG-CZ 3.97Å; Y211-F255 HydrophobicContact CG-CZ 3.97Å; P253-F255 HydrophobicContact CB-CD2 4.35Å; P253-F255 HydrophobicContact CB-CE2 4.16Å; F255-T257 PolarHBondContact O-N 2.72Å; F255-W264 HydrophobicContact CB-CZ2 4.43Å; F255-W264 HydrophobicContact CD1-CH2 4.48Å; F255-W264 HydrophobicContact CD1-CZ2 4.18Å; F255-L302 HydrophobicContact CD1-CD2 4.39Å; F255-L306 HydrophobicContact CB-CD1 4.49Å; F255-L306 HydrophobicContact CD1-CD1 4.12Å; F255-L306 HydrophobicContact CD2-CD1 3.56Å; F255-L306 HydrophobicContact CD2-CD2 4.3Å; F255-L306 HydrophobicContact CE1-CD1 4.25Å; F255-L306 HydrophobicContact CE1-CD2 4.11Å; F255-L306 HydrophobicContact CE2-CD1 3.7Å; F255-L306 HydrophobicContact CE2-CD2 3.54Å; F255-L306 HydrophobicContact CE2-CG 4.27Å; F255-L306 HydrophobicContact CG-CD1 3.8Å; F255-L306 HydrophobicContact CZ-CD1 4.05Å; F255-L306 HydrophobicContact CZ-CD2 3.43Å; F255-L306 VanDerWaalsContact CZ-CD2 3.43Å; F255-L306 HydrophobicContact CZ-CG 4.4Å; F255-F310 HydrophobicContact CE2-CE2 4.37Å; F255-H316 PolarHBondContact N-O 3.45Å |
| 256 | D | 98.3 | Very high | 98.4 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | trans | -68.8 | 125.6 | -170.5 | -156.3 | -42.4 | 0 | 0 | 0 | 111.9 | E254 H260 T261 G318 G319 W376 | E254-D256 HydrophobicContact CG-CB 4.43Å; D256-H260 HydrophobicContact CB-CB 3.99Å; D256-H260 VanDerWaalsContact CG-CD2 3.5Å; D256-H260 IonicContact OD1-CD2 3.7Å; D256-H260 IonicContact OD2-CD2 2.84Å; D256-T261 WeakPolarHBondContact O-CG2 3.26Å; D256-G318 VanDerWaalsContact OD1-CA 3.27Å; D256-G318 WeakPolarHBondContact OD1-CA 3.38Å; D256-G318 VanDerWaalsContact OD2-CA 3.27Å; D256-G318 WeakPolarHBondContact OD2-CA 3.2Å; D256-G319 PolarHBondContact OD1-N 3.37Å; D256-W376 PolarHBondContact OD2-NE1 2.96Å | ||
| 257 | T | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | -149 | 151.2 | 176.9 | 66.7 | 0 | 0 | 0 | 0 | 110.6 | F255 T261 W264 I288 L317 G319 Y353 L357 | F255-T257 PolarHBondContact O-N 2.72Å; T257-T261 HydrophobicContact CG2-CG2 4.02Å; T257-W264 HydrophobicContact CG2-CH2 3.6Å; T257-W264 HydrophobicContact CG2-CZ2 4.04Å; T257-W264 HydrophobicContact CG2-CZ3 4.2Å; T257-I288 HydrophobicContact CG2-CD1 3.5Å; T257-I288 VanDerWaalsContact CG2-CD1 3.5Å; T257-L317 PolarHBondContact N-O 2.7Å; T257-L317 VanDerWaalsContact N-O 3.16Å; T257-G319 PolarHBondContact O-N 2.99Å; T257-Y353 WeakPolarHBondContact CB-OH 3.4Å; T257-Y353 WeakPolarHBondContact OG1-CE1 3.29Å; T257-Y353 PolarHBondContact OG1-OH 3.43Å; T257-L357 WeakPolarHBondContact OG1-CD2 3.35Å | ||
| 258 | P | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | S | Bend | cis | -88 | -12.3 | 8.2 | 33.7 | -33.7 | 0 | 0 | 0 | 114.8 | T261 P287 I288 V322 W327 E350 Y353 | P258-T261 PolarHBondContact O-OG1 3.33Å; P258-T261 VanDerWaalsContact O-OG1 3.08Å; P258-P287 HydrophobicContact CB-CB 4.19Å; P258-P287 CarbonylContact O-C 3.53Å; P258-P287 WeakPolarHBondContact O-CA 3.42Å; P258-P287 WeakPolarHBondContact O-CB 3.48Å; P258-I288 HydrophobicContact CB-CB 3.94Å; P258-I288 PolarHBondContact O-N 3.09Å; P258-V322 HydrophobicContact CG-CG1 4.04Å; P258-V322 HydrophobicContact CG-CG2 3.88Å; P258-W327 HydrophobicContact CB-CH2 4.39Å; P258-W327 HydrophobicContact CB-CZ2 4.02Å; P258-W327 HydrophobicContact CG-CH2 3.77Å; P258-W327 HydrophobicContact CG-CZ2 3.91Å; P258-E350 HydrophobicContact CG-CG 4.43Å; P258-Y353 HydrophobicContact CB-CD1 3.79Å; P258-Y353 HydrophobicContact CB-CE1 3.73Å; P258-Y353 HydrophobicContact CB-CG 4.26Å; P258-Y353 HydrophobicContact CG-CD1 3.76Å; P258-Y353 HydrophobicContact CG-CE1 4.05Å; P258-Y353 HydrophobicContact CG-CG 4.39Å |
| 259 | G | 97.6 | Very high | 98.3 | Very high | 5 Ų | 5 | 15 Ų | 15 | 5% | 0.052 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -67.2 | -171.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T261 | G259-T261 WeakPolarHBondContact O-CB 3.48Å; G259-T261 WeakPolarHBondContact O-CG2 3.44Å; G259-T261 PolarHBondContact O-N 3.37Å; G259-T261 PolarHBondContact O-OG1 2.9Å |
| 260 | H | 98.1 | Very high | 98.2 | Very high | 22 Ų | 22 | 20 Ų | 20 | 10% | 0.102 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 52.7 | 34.8 | 163.9 | -59.6 | -44.9 | 0 | 0 | 0 | 115.2 | D205 D206 D256 D320 | D205-H260 CarbonylContact C-O 3.6Å; D205-H260 VanDerWaalsContact C-O 3.29Å; D205-H260 VanDerWaalsContact CA-O 3.22Å; D205-H260 WeakPolarHBondContact CA-O 3.27Å; D205-H260 IonicContact OD1-CG 2.61Å; D205-H260 IonicContact OD1-ND1 3.32Å; D205-H260 VanDerWaalsContact OD2-CB 3.32Å; D205-H260 WeakPolarHBondContact OD2-CB 3.38Å; D205-H260 IonicContact OD2-CG 2.93Å; D205-H260 IonicContact OD2-ND1 3.13Å; D206-H260 PolarHBondContact N-O 2.63Å; D206-H260 WeakPolarHBondContact OD1-CA 3.43Å; D256-H260 HydrophobicContact CB-CB 3.99Å; D256-H260 VanDerWaalsContact CG-CD2 3.5Å; D256-H260 IonicContact OD1-CD2 3.7Å; D256-H260 IonicContact OD2-CD2 2.84Å; H260-D320 IonicContact CD2-OD1 3.16Å; H260-D320 PolarHBondContact CD2-OD1 2.64Å; H260-D320 VanDerWaalsContact CD2-OD1 3.29Å; H260-D320 IonicContact CD2-OD2 3.11Å; H260-D320 IonicContact CE1-OD2 2.97Å; H260-D320 IonicContact NE2-OD1 3.62Å; H260-D320 PolarHBondContact NE2-OD1 2.95Å; H260-D320 IonicContact NE2-OD2 2.73Å; H260-D320 PolarHBondContact NE2-OD2 3.18Å |
| 261 | T | 98.2 | Very high | 98.2 | Very high | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 10% | 0.101 | C | C | . | . | trans | -125.4 | 9.1 | -168.6 | 46.7 | 0 | 0 | 0 | 0 | 114.2 | D206 D256 T257 P258 G259 S263 W264 G265 L272 I288 | D206-T261 PolarHBondContact OD1-N 3.06Å; D256-T261 WeakPolarHBondContact O-CG2 3.26Å; T257-T261 HydrophobicContact CG2-CG2 4.02Å; P258-T261 PolarHBondContact O-OG1 3.33Å; P258-T261 VanDerWaalsContact O-OG1 3.08Å; G259-T261 WeakPolarHBondContact O-CB 3.48Å; G259-T261 WeakPolarHBondContact O-CG2 3.44Å; G259-T261 PolarHBondContact O-N 3.37Å; G259-T261 PolarHBondContact O-OG1 2.9Å; T261-S263 PolarHBondContact O-N 2.85Å; T261-S263 VanDerWaalsContact O-N 3.16Å; T261-W264 HydrophobicContact CG2-CD2 3.86Å; T261-W264 HydrophobicContact CG2-CE3 4.33Å; T261-W264 HydrophobicContact CG2-CG 4.17Å; T261-W264 HydrophobicContact CG2-CZ2 4.06Å; T261-W264 WeakPolarHBondContact O-CA 3.47Å; T261-W264 WeakPolarHBondContact O-CB 3.34Å; T261-W264 PolarHBondContact O-N 2.92Å; T261-G265 PolarHBondContact O-N 2.73Å; T261-L272 WeakPolarHBondContact O-CD1 3.4Å; T261-I288 HydrophobicContact CG2-CD1 4.01Å; T261-I288 HydrophobicContact CG2-CG1 3.93Å | ||
| 262 | N | 98.1 | Very high | 98.2 | Very high | 76 Ų | 76 | 19.6 Ų | 19.6 | 41% | 0.406 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -56.9 | -36.1 | -177.6 | -175.5 | 41.4 | 0 | 0 | 0 | 113.1 | D206 W264 G265 | D206-N262 HydrophobicContact CB-CB 3.87Å; D206-N262 WeakPolarHBondContact OD1-CB 3.38Å; D206-N262 PolarHBondContact OD1-N 3.21Å; N262-W264 PolarHBondContact O-N 3.02Å; N262-G265 PolarHBondContact O-N 3.05Å |
| 263 | S | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63 | -28.2 | 175.7 | 67.3 | 0 | 0 | 0 | 0 | 113.1 | D205 D206 G223 T261 K266 | D205-S263 WeakPolarHBondContact O-CB 3.16Å; D205-S263 PolarHBondContact O-OG 3.22Å; D206-S263 PolarHBondContact O-N 3.34Å; G223-S263 WeakPolarHBondContact CA-O 3.23Å; T261-S263 PolarHBondContact O-N 2.85Å; T261-S263 VanDerWaalsContact O-N 3.16Å; S263-K266 WeakPolarHBondContact O-CB 2.86Å; S263-K266 PolarHBondContact O-N 3.2Å |
| 264 | W | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.8 | -39.4 | 179.2 | -55.7 | 39.1 | 0 | 0 | 0 | 110.1 | V204 F209 L219 F255 T257 T261 N262 K266 G267 Y268 I288 F298 L302 | V204-W264 HydrophobicContact CG2-CZ2 3.98Å; F209-W264 AromaticContact CD2-CD1 3.51Å; F209-W264 HydrophobicContact CD2-CD2 4.21Å; F209-W264 AromaticContact CD2-CE2 3.9Å; F209-W264 AromaticContact CD2-CG 3.97Å; F209-W264 HydrophobicContact CD2-CG 3.97Å; F209-W264 AromaticContact CD2-NE1 3.45Å; F209-W264 AromaticContact CE2-CD1 3.95Å; F209-W264 AromaticContact CE2-CD2 3.88Å; F209-W264 HydrophobicContact CE2-CD2 3.88Å; F209-W264 AromaticContact CE2-CE2 3.52Å; F209-W264 HydrophobicContact CE2-CG 4.13Å; F209-W264 AromaticContact CE2-CZ2 3.94Å; F209-W264 HydrophobicContact CE2-CZ2 3.94Å; F209-W264 AromaticContact CE2-NE1 3.58Å; L219-W264 HydrophobicContact CD2-CB 3.81Å; L219-W264 HydrophobicContact CD2-CD2 4.31Å; L219-W264 HydrophobicContact CD2-CE3 4.43Å; L219-W264 HydrophobicContact CD2-CG 4.06Å; F255-W264 HydrophobicContact CB-CZ2 4.43Å; F255-W264 HydrophobicContact CD1-CH2 4.48Å; F255-W264 HydrophobicContact CD1-CZ2 4.18Å; T257-W264 HydrophobicContact CG2-CH2 3.6Å; T257-W264 HydrophobicContact CG2-CZ2 4.04Å; T257-W264 HydrophobicContact CG2-CZ3 4.2Å; T261-W264 HydrophobicContact CG2-CD2 3.86Å; T261-W264 HydrophobicContact CG2-CE3 4.33Å; T261-W264 HydrophobicContact CG2-CG 4.17Å; T261-W264 HydrophobicContact CG2-CZ2 4.06Å; T261-W264 WeakPolarHBondContact O-CA 3.47Å; T261-W264 WeakPolarHBondContact O-CB 3.34Å; T261-W264 PolarHBondContact O-N 2.92Å; N262-W264 PolarHBondContact O-N 3.02Å; W264-K266 PolarHBondContact O-N 2.75Å; W264-G267 WeakPolarHBondContact O-CA 3.21Å; W264-G267 PolarHBondContact O-N 3.34Å; W264-Y268 PolarHBondContact O-N 3.36Å; W264-I288 HydrophobicContact CE3-CD1 4.44Å; W264-I288 HydrophobicContact CZ3-CD1 4.16Å; W264-F298 AromaticContact CE3-CE1 3.85Å; W264-F298 HydrophobicContact CE3-CE1 3.85Å; W264-F298 AromaticContact CZ3-CE1 3.99Å; W264-F298 HydrophobicContact CZ3-CE1 3.99Å; W264-L302 HydrophobicContact CH2-CD2 3.74Å; W264-L302 HydrophobicContact CZ3-CD2 3.75Å |
| 265 | G | 97.9 | Very high | 98 | Very high | 7 Ų | 7 | 24.9 Ų | 24.9 | 7% | 0.072 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.9 | -22.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | T261 N262 G267 P269 | T261-G265 PolarHBondContact O-N 2.73Å; N262-G265 PolarHBondContact O-N 3.05Å; G265-G267 VanDerWaalsContact C-N 3.27Å; G265-G267 PolarHBondContact O-N 2.96Å; G265-P269 WeakPolarHBondContact O-CA 3.27Å; G265-P269 WeakPolarHBondContact O-CB 3.46Å; G265-P269 VanDerWaalsContact O-CD 3.29Å; G265-P269 WeakPolarHBondContact O-CD 3.46Å |
| 266 | K | 97.9 | Very high | 98 | Very high | 96 Ų | 96 | 27.5 Ų | 27.5 | 42% | 0.417 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -65.2 | -34.8 | 171.8 | -57.6 | -178.8 | -168.8 | 162.1 | 0 | 111.4 | K222 S263 W264 | K222-K266 HydrophobicContact CB-CB 4.07Å; K222-K266 WeakPolarHBondContact CD-O 3.5Å; K222-K266 WeakPolarHBondContact O-CB 3.48Å; K222-K266 VanDerWaalsContact O-CD 3.24Å; K222-K266 WeakPolarHBondContact O-CD 3.27Å; S263-K266 WeakPolarHBondContact O-CB 2.86Å; S263-K266 PolarHBondContact O-N 3.2Å; W264-K266 PolarHBondContact O-N 2.75Å |
| 267 | G | 97.9 | Very high | 97.8 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 6% | 0.062 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -82.9 | -52.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | K218 W264 G265 | K218-G267 VanDerWaalsContact O-CA 3.28Å; K218-G267 WeakPolarHBondContact O-CA 3.26Å; W264-G267 WeakPolarHBondContact O-CA 3.21Å; W264-G267 PolarHBondContact O-N 3.34Å; G265-G267 VanDerWaalsContact C-N 3.27Å; G265-G267 PolarHBondContact O-N 2.96Å |
| 268 | Y | 98.1 | Very high | 97.5 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 14% | 0.141 | 20% | 0.201 | C | C | . | . | trans | -138.1 | 72.7 | -169.5 | -60.8 | -82 | 0 | 0 | 0 | 110.5 | F216 K218 L219 W264 E270 V271 F298 | F216-Y268 WeakPolarHBondContact CA-OH 3.42Å; F216-Y268 HydrophobicContact CB-CE2 3.66Å; F216-Y268 HydrophobicContact CD1-CE1 4.27Å; F216-Y268 HydrophobicContact CD1-CE2 4.18Å; F216-Y268 AromaticContact CD1-CZ 3.85Å; F216-Y268 HydrophobicContact CG-CE2 4.3Å; K218-Y268 HydrophobicContact CB-CD2 4.3Å; K218-Y268 HydrophobicContact CB-CE1 4.45Å; K218-Y268 HydrophobicContact CB-CE2 3.6Å; K218-Y268 HydrophobicContact CD-CE1 4.29Å; L219-Y268 HydrophobicContact CD2-CD2 3.99Å; L219-Y268 HydrophobicContact CD2-CE2 4.47Å; L219-Y268 HydrophobicContact CG-CD2 3.99Å; L219-Y268 HydrophobicContact CG-CE2 3.96Å; W264-Y268 PolarHBondContact O-N 3.36Å; Y268-E270 PolarHBondContact O-N 2.72Å; Y268-V271 PolarHBondContact O-N 3.03Å; Y268-V271 VanDerWaalsContact O-N 3.11Å; Y268-F298 HydrophobicContact CD1-CE2 4.22Å; Y268-F298 AromaticContact CD2-CE2 3.66Å; Y268-F298 HydrophobicContact CD2-CE2 3.66Å; Y268-F298 AromaticContact CD2-CZ 3.92Å; Y268-F298 HydrophobicContact CD2-CZ 3.92Å; Y268-F298 HydrophobicContact CE2-CE2 4.11Å; Y268-F298 HydrophobicContact CE2-CZ 4.44Å; Y268-F298 AromaticContact CG-CE2 3.72Å; Y268-F298 HydrophobicContact CG-CE2 3.72Å; Y268-F298 HydrophobicContact CG-CZ 4.32Å | ||
| 269 | P | 97.5 | Very high | 97.2 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 31% | 0.312 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -59.7 | -19.7 | -176.9 | 25.5 | -35.2 | 0 | 0 | 0 | 113.6 | G265 V271 L272 L285 | G265-P269 WeakPolarHBondContact O-CA 3.27Å; G265-P269 WeakPolarHBondContact O-CB 3.46Å; G265-P269 VanDerWaalsContact O-CD 3.29Å; G265-P269 WeakPolarHBondContact O-CD 3.46Å; P269-V271 PolarHBondContact O-N 3.43Å; P269-L272 PolarHBondContact O-N 3.43Å; P269-L285 HydrophobicContact CB-CD1 3.81Å |
| 270 | E | 97.1 | Very high | 97.1 | Very high | 108 Ų | 108 | 50 Ų | 50 | 51% | 0.505 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -68.5 | -18.3 | 178.3 | -56.1 | 84.5 | 174.5 | 0 | 0 | 113.8 | Y268 N292 F294 | Y268-E270 PolarHBondContact O-N 2.72Å; E270-N292 PolarHBondContact O-ND2 3.41Å; E270-F294 HydrophobicContact CB-CD1 3.95Å; E270-F294 HydrophobicContact CB-CE1 3.68Å; E270-F294 HydrophobicContact CB-CZ 4.3Å |
| 271 | V | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -73.7 | -33.9 | 175.6 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | Y268 P269 I288 N289 F294 S295 F298 | Y268-V271 PolarHBondContact O-N 3.03Å; Y268-V271 VanDerWaalsContact O-N 3.11Å; P269-V271 PolarHBondContact O-N 3.43Å; V271-I288 HydrophobicContact CG1-CD1 4.27Å; V271-I288 HydrophobicContact CG1-CG1 4.22Å; V271-I288 HydrophobicContact CG1-CG2 4.23Å; V271-N289 PolarHBondContact O-N 2.03Å; V271-F294 HydrophobicContact CG2-CD1 4.2Å; V271-F294 HydrophobicContact CG2-CE1 3.65Å; V271-S295 PolarHBondContact O-OG 2.69Å; V271-F298 HydrophobicContact CG1-CD1 4.11Å; V271-F298 HydrophobicContact CG1-CG 4.42Å; V271-F298 HydrophobicContact CG2-CB 4.01Å; V271-F298 HydrophobicContact CG2-CD1 3.84Å; V271-F298 HydrophobicContact CG2-CD2 3.58Å; V271-F298 HydrophobicContact CG2-CE1 4.19Å; V271-F298 HydrophobicContact CG2-CE2 3.94Å; V271-F298 HydrophobicContact CG2-CG 3.52Å; V271-F298 HydrophobicContact CG2-CZ 4.23Å |
| 272 | L | 98.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 163 | -171.8 | -56.7 | -166.8 | 0 | 0 | 0 | 112.6 | T261 P269 L285 I288 | T261-L272 WeakPolarHBondContact O-CD1 3.4Å; P269-L272 PolarHBondContact O-N 3.43Å; L272-L285 HydrophobicContact CB-CB 4.03Å; L272-L285 HydrophobicContact CB-CD1 4.3Å; L272-L285 HydrophobicContact CB-CD2 4.35Å; L272-L285 HydrophobicContact CB-CG 4.46Å; L272-L285 HydrophobicContact CD1-CB 3.93Å; L272-L285 HydrophobicContact CD1-CD1 4.08Å; L272-I288 HydrophobicContact CD2-CG1 3.86Å |
| 273 | T | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 125.5 | 176.1 | -53.7 | 0 | 0 | 0 | 0 | 110.6 | L285 G286 P287 N289 C326 W327 N330 I333 | T273-L285 CarbonylContact O-C 3.57Å; T273-L285 WeakPolarHBondContact O-CA 3.28Å; T273-G286 PolarHBondContact O-N 3.15Å; T273-P287 WeakPolarHBondContact CB-O 3.42Å; T273-P287 PolarHBondContact N-O 3.41Å; T273-P287 PolarHBondContact OG1-O 3.15Å; T273-N289 VanDerWaalsContact OG1-CA 3.29Å; T273-N289 WeakPolarHBondContact OG1-CA 3.05Å; T273-C326 HydrophobicContact CG2-CB 4.14Å; T273-W327 VanDerWaalsContact OG1-CD1 3.24Å; T273-W327 PolarHBondContact OG1-NE1 2.74Å; T273-W327 VanDerWaalsContact OG1-NE1 3.17Å; T273-N330 HydrophobicContact CG2-CB 4.11Å; T273-I333 HydrophobicContact CG2-CD1 3.51Å |
| 274 | K | 97.7 | Very high | 96.4 | Very high | 110 Ų | 110 | 59.4 Ų | 59.4 | 48% | 0.478 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 130.6 | 167.3 | -63.5 | 179.9 | -179.1 | 178.8 | 0 | 110.9 | Y276 L281 L285 N330 | K274-Y276 HydrophobicContact CB-CE2 4.48Å; K274-L281 HydrophobicContact CB-CD2 3.7Å; K274-L281 HydrophobicContact CD-CD2 3.94Å; K274-L281 HydrophobicContact CG-CD2 4.38Å; K274-L285 HydrophobicContact CG-CD2 3.98Å; K274-N330 PolarHBondContact O-ND2 2.87Å |
| 275 | C | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 155.3 | -179 | -38.5 | 0 | 0 | 0 | 0 | 110.8 | D282 T284 L285 G286 C326 | C275-D282 WeakPolarHBondContact CB-OD1 3.11Å; C275-D282 VanDerWaalsContact CB-OD2 3.24Å; C275-D282 WeakPolarHBondContact CB-OD2 2.96Å; C275-D282 PolarHBondContact O-N 3.06Å; C275-T284 WeakPolarHBondContact CB-OG1 3.18Å; C275-T284 PolarHBondContact N-O 2.96Å; C275-T284 PolarHBondContact SG-O 3.47Å; C275-T284 VanDerWaalsContact SG-O 3.41Å; C275-T284 PolarHBondContact SG-OG1 2.78Å; C275-T284 VanDerWaalsContact SG-OG1 3.34Å; C275-L285 VanDerWaalsContact SG-C 3.53Å; C275-G286 PolarHBondContact SG-N 3.45Å; C275-G286 VanDerWaalsContact SG-N 3.38Å; C275-C326 HydrophobicContact CB-CB 3.83Å; C275-C326 WeakPolarHBondContact CB-SG 3.23Å; C275-C326 WeakPolarHBondContact SG-CB 3.44Å; C275-C326 CovalentContact SG-SG 2.02Å; C275-C326 PolarHBondContact SG-SG 3.5Å |
| 276 | Y | 97.7 | Very high | 96.4 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 22% | 0.22 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 141.2 | -178.4 | -70.9 | -110.1 | 0 | 0 | 0 | 111.5 | K274 E280 L281 S329 N330 P331 | K274-Y276 HydrophobicContact CB-CE2 4.48Å; Y276-E280 CarbonylContact C-O 3.51Å; Y276-E280 WeakPolarHBondContact CA-O 3.27Å; Y276-E280 WeakPolarHBondContact CB-O 3.32Å; Y276-L281 HydrophobicContact CD1-CD2 4.43Å; Y276-L281 HydrophobicContact CD2-CD2 4.24Å; Y276-L281 HydrophobicContact CE1-CD2 3.9Å; Y276-L281 HydrophobicContact CE1-CG 4.06Å; Y276-L281 HydrophobicContact CE2-CD2 3.66Å; Y276-L281 VanDerWaalsContact CZ-CD2 3.47Å; Y276-S329 WeakPolarHBondContact CB-O 3.43Å; Y276-S329 PolarHBondContact N-OG 2.78Å; Y276-S329 WeakPolarHBondContact O-CB 3.49Å; Y276-N330 HydrophobicContact CD2-CB 4.22Å; Y276-N330 HydrophobicContact CE2-CB 4.29Å; Y276-P331 HydrophobicContact CD1-CG 4.45Å; Y276-P331 HydrophobicContact CE1-CG 4.27Å |
| 277 | I | 95.1 | Very high | 96.4 | Very high | 103 Ų | 103 | 57.6 Ų | 57.6 | 53% | 0.528 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128.1 | 168.1 | -64.1 | 172.5 | 0 | 0 | 0 | 107.4 | G279 E280 D282 | I277-G279 PolarHBondContact O-N 2.95Å; I277-G279 VanDerWaalsContact O-N 3.08Å; I277-E280 PolarHBondContact N-O 3.37Å; I277-E280 PolarHBondContact O-N 3.33Å; I277-D282 HydrophobicContact CB-CB 4.32Å; I277-D282 HydrophobicContact CD1-CB 3.67Å; I277-D282 HydrophobicContact CG1-CB 3.81Å |
| 278 | N | 92.3 | Very high | 96.4 | Very high | 166 Ų | 166 | 57.3 Ų | 57.3 | 89% | 0.888 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 30 | -179.8 | -59.5 | -34.2 | 0 | 0 | 0 | 114.7 | E280 | N278-E280 VanDerWaalsContact C-N 3.33Š|
| 279 | G | 91.3 | Very high | 96.4 | Very high | 60 Ų | 60 | 56.5 Ų | 56.5 | 62% | 0.619 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | 0 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | I277 | I277-G279 PolarHBondContact O-N 2.95Å; I277-G279 VanDerWaalsContact O-N 3.08Å |
| 280 | E | 94.5 | Very high | 96.4 | Very high | 150 Ų | 150 | 54.2 Ų | 54.2 | 70% | 0.701 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 153.9 | 174.6 | -63.1 | -171.4 | 169 | 0 | 0 | 111.2 | Y276 I277 N278 D282 | Y276-E280 CarbonylContact C-O 3.51Å; Y276-E280 WeakPolarHBondContact CA-O 3.27Å; Y276-E280 WeakPolarHBondContact CB-O 3.32Å; I277-E280 PolarHBondContact N-O 3.37Å; I277-E280 PolarHBondContact O-N 3.33Å; N278-E280 VanDerWaalsContact C-N 3.33Å; E280-D282 PolarHBondContact O-N 3.03Å |
| 281 | L | 95.4 | Very high | 96.4 | Very high | 98 Ų | 98 | 51.1 Ų | 51.1 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 128.3 | 174.4 | -71.8 | 170 | 0 | 0 | 0 | 109.9 | K274 Y276 | K274-L281 HydrophobicContact CB-CD2 3.7Å; K274-L281 HydrophobicContact CD-CD2 3.94Å; K274-L281 HydrophobicContact CG-CD2 4.38Å; Y276-L281 HydrophobicContact CD1-CD2 4.43Å; Y276-L281 HydrophobicContact CD2-CD2 4.24Å; Y276-L281 HydrophobicContact CE1-CD2 3.9Å; Y276-L281 HydrophobicContact CE1-CG 4.06Å; Y276-L281 HydrophobicContact CE2-CD2 3.66Å; Y276-L281 VanDerWaalsContact CZ-CD2 3.47Å |
| 282 | D | 94.2 | Very high | 96.2 | Very high | 53 Ų | 53 | 53.5 Ų | 53.5 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -7.6 | 178.2 | 64.6 | 21.3 | 0 | 0 | 0 | 113.8 | C275 I277 E280 T284 | C275-D282 WeakPolarHBondContact CB-OD1 3.11Å; C275-D282 VanDerWaalsContact CB-OD2 3.24Å; C275-D282 WeakPolarHBondContact CB-OD2 2.96Å; C275-D282 PolarHBondContact O-N 3.06Å; I277-D282 HydrophobicContact CB-CB 4.32Å; I277-D282 HydrophobicContact CD1-CB 3.67Å; I277-D282 HydrophobicContact CG1-CB 3.81Å; E280-D282 PolarHBondContact O-N 3.03Å; D282-T284 VanDerWaalsContact C-N 3.34Å; D282-T284 VanDerWaalsContact CG-OG1 3.24Å; D282-T284 WeakPolarHBondContact OD1-CA 3.46Å; D282-T284 WeakPolarHBondContact OD1-CB 3.47Å; D282-T284 PolarHBondContact OD1-N 3.21Å; D282-T284 PolarHBondContact OD1-OG1 2.91Å; D282-T284 PolarHBondContact OD2-OG1 2.88Å |
| 283 | G | 93.7 | Very high | 96.1 | Very high | 75 Ų | 75 | 59.8 Ų | 59.8 | 77% | 0.773 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 86.1 | -1.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 284 | T | 95.9 | Very high | 96.1 | Very high | 70 Ų | 70 | 63.9 Ų | 63.9 | 43% | 0.429 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 160.6 | 176.9 | 70.7 | 0 | 0 | 0 | 0 | 111.9 | C275 D282 | C275-T284 WeakPolarHBondContact CB-OG1 3.18Å; C275-T284 PolarHBondContact N-O 2.96Å; C275-T284 PolarHBondContact SG-O 3.47Å; C275-T284 VanDerWaalsContact SG-O 3.41Å; C275-T284 PolarHBondContact SG-OG1 2.78Å; C275-T284 VanDerWaalsContact SG-OG1 3.34Å; D282-T284 VanDerWaalsContact C-N 3.34Å; D282-T284 VanDerWaalsContact CG-OG1 3.24Å; D282-T284 WeakPolarHBondContact OD1-CA 3.46Å; D282-T284 WeakPolarHBondContact OD1-CB 3.47Å; D282-T284 PolarHBondContact OD1-N 3.21Å; D282-T284 PolarHBondContact OD1-OG1 2.91Å; D282-T284 PolarHBondContact OD2-OG1 2.88Å |
| 285 | L | 97.2 | Very high | 96.1 | Very high | 47 Ų | 47 | 58.7 Ų | 58.7 | 25% | 0.246 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.4 | 177.8 | -61.7 | 174.4 | 0 | 0 | 0 | 108.8 | P269 L272 T273 K274 C275 | P269-L285 HydrophobicContact CB-CD1 3.81Å; L272-L285 HydrophobicContact CB-CB 4.03Å; L272-L285 HydrophobicContact CB-CD1 4.3Å; L272-L285 HydrophobicContact CB-CD2 4.35Å; L272-L285 HydrophobicContact CB-CG 4.46Å; L272-L285 HydrophobicContact CD1-CB 3.93Å; L272-L285 HydrophobicContact CD1-CD1 4.08Å; T273-L285 CarbonylContact O-C 3.57Å; T273-L285 WeakPolarHBondContact O-CA 3.28Å; K274-L285 HydrophobicContact CG-CD2 3.98Å; C275-L285 VanDerWaalsContact SG-C 3.53Å |
| 286 | G | 97.6 | Very high | 96.1 | Very high | 12 Ų | 12 | 59.9 Ų | 59.9 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | -154.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T273 C275 C326 | T273-G286 PolarHBondContact O-N 3.15Å; C275-G286 PolarHBondContact SG-N 3.45Å; C275-G286 VanDerWaalsContact SG-N 3.38Å; G286-C326 VanDerWaalsContact CA-SG 3.5Å |
| 287 | P | 98.2 | Very high | 96.2 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 5% | 0.045 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 162.7 | 177.4 | -26.3 | 35.3 | 0 | 0 | 0 | 113.4 | P258 T273 N289 V322 E323 W327 | P258-P287 HydrophobicContact CB-CB 4.19Å; P258-P287 CarbonylContact O-C 3.53Å; P258-P287 WeakPolarHBondContact O-CA 3.42Å; P258-P287 WeakPolarHBondContact O-CB 3.48Å; T273-P287 WeakPolarHBondContact CB-O 3.42Å; T273-P287 PolarHBondContact N-O 3.41Å; T273-P287 PolarHBondContact OG1-O 3.15Å; P287-N289 PolarHBondContact O-N 3.18Å; P287-V322 HydrophobicContact CB-CG1 4.1Å; P287-V322 HydrophobicContact CG-CG1 3.79Å; P287-E323 WeakPolarHBondContact CD-O 3.39Å; P287-E323 VanDerWaalsContact CG-O 3.3Å; P287-E323 WeakPolarHBondContact CG-O 3.41Å; P287-W327 HydrophobicContact CB-CZ2 3.82Å |
| 288 | I | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -45 | 134.4 | 172.9 | -66.3 | -169.5 | 0 | 0 | 0 | 110.1 | T257 P258 T261 W264 V271 L272 P290 V299 W327 Y353 | T257-I288 HydrophobicContact CG2-CD1 3.5Å; T257-I288 VanDerWaalsContact CG2-CD1 3.5Å; P258-I288 HydrophobicContact CB-CB 3.94Å; P258-I288 PolarHBondContact O-N 3.09Å; T261-I288 HydrophobicContact CG2-CD1 4.01Å; T261-I288 HydrophobicContact CG2-CG1 3.93Å; W264-I288 HydrophobicContact CE3-CD1 4.44Å; W264-I288 HydrophobicContact CZ3-CD1 4.16Å; V271-I288 HydrophobicContact CG1-CD1 4.27Å; V271-I288 HydrophobicContact CG1-CG1 4.22Å; V271-I288 HydrophobicContact CG1-CG2 4.23Å; L272-I288 HydrophobicContact CD2-CG1 3.86Å; I288-P290 WeakPolarHBondContact O-CD 3.49Å; I288-V299 HydrophobicContact CD1-CG1 4.05Å; I288-W327 PolarHBondContact O-NE1 3.16Å; I288-Y353 HydrophobicContact CB-CE2 4.36Å; I288-Y353 HydrophobicContact CG2-CD2 4.49Å; I288-Y353 HydrophobicContact CG2-CE2 3.76Å |
| 289 | N | 98.3 | Very high | 96.6 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | trans | -69.4 | 110.1 | -179.8 | -174.2 | -27.6 | 0 | 0 | 0 | 110.5 | V271 T273 P287 I291 N292 S295 | V271-N289 PolarHBondContact O-N 2.03Å; T273-N289 VanDerWaalsContact OG1-CA 3.29Å; T273-N289 WeakPolarHBondContact OG1-CA 3.05Å; P287-N289 PolarHBondContact O-N 3.18Å; N289-I291 PolarHBondContact O-N 2.9Å; N289-I291 WeakPolarHBondContact OD1-CG1 3.19Å; N289-I291 PolarHBondContact OD1-N 3Å; N289-I291 VanDerWaalsContact OD1-N 3.14Å; N289-N292 HydrophobicContact CB-CB 3.95Å; N289-N292 PolarHBondContact O-N 2.95Å; N289-N292 PolarHBondContact OD1-N 3.45Å; N289-S295 WeakPolarHBondContact O-CB 3.5Å; N289-S295 PolarHBondContact O-OG 2.94Å | ||
| 290 | P | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.8 | -168.8 | 33.9 | -34.8 | 0 | 0 | 0 | 113 | I288 Y296 W327 L349 Y352 Y353 | I288-P290 WeakPolarHBondContact O-CD 3.49Å; P290-Y296 VanDerWaalsContact O-CE2 3.26Å; P290-Y296 WeakPolarHBondContact O-CE2 3.47Å; P290-Y296 PolarHBondContact O-OH 2.95Å; P290-W327 HydrophobicContact CB-CZ2 4.27Å; P290-W327 HydrophobicContact CG-CD2 4.25Å; P290-W327 HydrophobicContact CG-CH2 4.45Å; P290-W327 HydrophobicContact CG-CZ2 3.89Å; P290-L349 HydrophobicContact CB-CD1 4.15Å; P290-L349 HydrophobicContact CB-CG 4.14Å; P290-L349 HydrophobicContact CG-CD1 3.8Å; P290-L349 HydrophobicContact CG-CD2 3.62Å; P290-L349 HydrophobicContact CG-CG 3.59Å; P290-Y352 WeakPolarHBondContact O-CE1 3.29Å; P290-Y353 HydrophobicContact CB-CD2 4.39Å |
| 291 | I | 97.5 | Very high | 97.2 | Very high | 42 Ų | 42 | 43.9 Ų | 43.9 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -6.3 | -178.9 | 71.2 | 162 | 0 | 0 | 0 | 112.5 | N289 L332 I333 F336 L349 | N289-I291 PolarHBondContact O-N 2.9Å; N289-I291 WeakPolarHBondContact OD1-CG1 3.19Å; N289-I291 PolarHBondContact OD1-N 3Å; N289-I291 VanDerWaalsContact OD1-N 3.14Å; I291-L332 HydrophobicContact CD1-CB 3.96Å; I291-I333 HydrophobicContact CD1-CG1 3.87Å; I291-I333 HydrophobicContact CG1-CG1 4.04Å; I291-I333 HydrophobicContact CG2-CG1 4.46Å; I291-F336 HydrophobicContact CB-CB 4.49Å; I291-F336 HydrophobicContact CB-CD1 4.37Å; I291-F336 HydrophobicContact CB-CD2 4.16Å; I291-F336 HydrophobicContact CB-CE2 4.47Å; I291-F336 HydrophobicContact CB-CG 4.1Å; I291-F336 HydrophobicContact CD1-CB 4.12Å; I291-F336 HydrophobicContact CG2-CB 3.83Å; I291-F336 HydrophobicContact CG2-CD1 3.24Å; I291-F336 HydrophobicContact CG2-CD2 3.87Å; I291-F336 HydrophobicContact CG2-CE1 3.63Å; I291-F336 HydrophobicContact CG2-CE2 4.21Å; I291-F336 HydrophobicContact CG2-CG 3.36Å; I291-F336 HydrophobicContact CG2-CZ 4.1Å; I291-L349 HydrophobicContact CG2-CD1 4.26Å |
| 292 | N | 94.3 | Very high | 97.3 | Very high | 50 Ų | 50 | 39.2 Ų | 39.2 | 27% | 0.267 | 23% | 0.226 | S | C | . | . | trans | -93.7 | 120.7 | -174.2 | -173.8 | 5.1 | 0 | 0 | 0 | 111.3 | E270 N289 F294 S295 Y296 | E270-N292 PolarHBondContact O-ND2 3.41Å; N289-N292 HydrophobicContact CB-CB 3.95Å; N289-N292 PolarHBondContact O-N 2.95Å; N289-N292 PolarHBondContact OD1-N 3.45Å; N292-F294 PolarHBondContact O-N 2.84Å; N292-F294 WeakPolarHBondContact OD1-CB 3.43Å; N292-F294 PolarHBondContact OD1-N 3.09Å; N292-S295 WeakPolarHBondContact O-CB 3.13Å; N292-S295 PolarHBondContact O-N 3.18Å; N292-S295 VanDerWaalsContact O-N 3.08Å; N292-Y296 WeakPolarHBondContact O-CD2 3.4Å; N292-Y296 PolarHBondContact O-N 2.82Å | ||
| 293 | N | 96.1 | Very high | 97.5 | Very high | 136 Ų | 136 | 36.7 Ų | 36.7 | 73% | 0.727 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -60.6 | -29.5 | 175.2 | -72.2 | -15.6 | 0 | 0 | 0 | 112.8 | S295 Y296 N297 | N293-S295 VanDerWaalsContact C-N 3.33Å; N293-Y296 PolarHBondContact O-N 3.4Å; N293-N297 WeakPolarHBondContact O-CB 3.24Å; N293-N297 PolarHBondContact O-N 3.48Å |
| 294 | F | 97.5 | Very high | 97.7 | Very high | 87 Ų | 87 | 39.2 Ų | 39.2 | 38% | 0.382 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.2 | -44 | 174.4 | 178.7 | -92.9 | 0 | 0 | 0 | 111.2 | E270 V271 N292 Y296 N297 F298 | E270-F294 HydrophobicContact CB-CD1 3.95Å; E270-F294 HydrophobicContact CB-CE1 3.68Å; E270-F294 HydrophobicContact CB-CZ 4.3Å; V271-F294 HydrophobicContact CG2-CD1 4.2Å; V271-F294 HydrophobicContact CG2-CE1 3.65Å; N292-F294 PolarHBondContact O-N 2.84Å; N292-F294 WeakPolarHBondContact OD1-CB 3.43Å; N292-F294 PolarHBondContact OD1-N 3.09Å; F294-Y296 PolarHBondContact O-N 2.84Å; F294-N297 PolarHBondContact O-N 3.28Å; F294-F298 WeakPolarHBondContact O-CB 3.48Å; F294-F298 PolarHBondContact O-N 3.49Å |
| 295 | S | 97.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 178.8 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | V271 N289 N292 N293 F298 V299 | V271-S295 PolarHBondContact O-OG 2.69Å; N289-S295 WeakPolarHBondContact O-CB 3.5Å; N289-S295 PolarHBondContact O-OG 2.94Å; N292-S295 WeakPolarHBondContact O-CB 3.13Å; N292-S295 PolarHBondContact O-N 3.18Å; N292-S295 VanDerWaalsContact O-N 3.08Å; N293-S295 VanDerWaalsContact C-N 3.33Å; S295-F298 WeakPolarHBondContact O-CB 3.32Å; S295-F298 PolarHBondContact O-N 2.86Å; S295-V299 WeakPolarHBondContact O-CG2 3.28Å; S295-V299 PolarHBondContact O-N 3.23Å |
| 296 | Y | 98.4 | Very high | 97.9 | Very high | 24 Ų | 24 | 34.3 Ų | 34.3 | 9% | 0.094 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 175.1 | -71.6 | -62.4 | 0 | 0 | 0 | 113.2 | P290 N292 N293 F294 F298 V299 S300 Y352 Y353 N356 I360 | P290-Y296 VanDerWaalsContact O-CE2 3.26Å; P290-Y296 WeakPolarHBondContact O-CE2 3.47Å; P290-Y296 PolarHBondContact O-OH 2.95Å; N292-Y296 WeakPolarHBondContact O-CD2 3.4Å; N292-Y296 PolarHBondContact O-N 2.82Å; N293-Y296 PolarHBondContact O-N 3.4Å; F294-Y296 PolarHBondContact O-N 2.84Å; Y296-F298 VanDerWaalsContact C-N 3.28Å; Y296-F298 PolarHBondContact O-N 2.78Å; Y296-V299 WeakPolarHBondContact O-CG2 3.48Å; Y296-S300 WeakPolarHBondContact O-CB 3.47Å; Y296-S300 PolarHBondContact O-N 2.85Å; Y296-Y352 WeakPolarHBondContact OH-CE1 3.3Å; Y296-Y353 AromaticContact CE1-CD2 3.8Å; Y296-Y353 HydrophobicContact CE1-CD2 3.8Å; Y296-Y353 HydrophobicContact CE1-CE2 4.14Å; Y296-N356 HydrophobicContact CD1-CB 4.1Å; Y296-N356 HydrophobicContact CE1-CB 3.41Å; Y296-N356 VanDerWaalsContact CE1-CB 3.41Å; Y296-N356 PolarHBondContact OH-ND2 3.13Å; Y296-I360 HydrophobicContact CD1-CD1 3.63Å; Y296-I360 HydrophobicContact CG-CD1 4.22Å |
| 297 | N | 98.2 | Very high | 98 | Very high | 90 Ų | 90 | 33.8 Ų | 33.8 | 48% | 0.481 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.3 | -34.6 | 175.3 | -174.6 | 31 | 0 | 0 | 0 | 112 | N293 F294 Q301 | N293-N297 WeakPolarHBondContact O-CB 3.24Å; N293-N297 PolarHBondContact O-N 3.48Å; F294-N297 PolarHBondContact O-N 3.28Å; N297-Q301 PolarHBondContact ND2-NE2 2.74Å; N297-Q301 WeakPolarHBondContact O-CG 3.46Å; N297-Q301 PolarHBondContact O-N 3.27Å; N297-Q301 VanDerWaalsContact O-N 3.11Å; N297-Q301 PolarHBondContact O-NE2 3Å; N297-Q301 PolarHBondContact OD1-NE2 2.98Å |
| 298 | F | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 1% | 0.013 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63 | -56.5 | 175.2 | -176.8 | -85 | 0 | 0 | 0 | 111.2 | F216 L219 W264 Y268 V271 F294 S295 Y296 S300 Q301 L302 | F216-F298 HydrophobicContact CB-CE2 4.25Å; F216-F298 HydrophobicContact CB-CZ 4.26Å; F216-F298 AromaticContact CD1-CD2 3.94Å; F216-F298 HydrophobicContact CD1-CD2 3.94Å; F216-F298 AromaticContact CD1-CE2 3.45Å; F216-F298 HydrophobicContact CD1-CE2 3.45Å; F216-F298 VanDerWaalsContact CD1-CE2 3.45Å; F216-F298 HydrophobicContact CD1-CZ 4.22Å; F216-F298 HydrophobicContact CD2-CD2 4.37Å; F216-F298 HydrophobicContact CD2-CE1 4.46Å; F216-F298 AromaticContact CD2-CE2 3.88Å; F216-F298 HydrophobicContact CD2-CE2 3.88Å; F216-F298 AromaticContact CD2-CZ 3.93Å; F216-F298 HydrophobicContact CD2-CZ 3.93Å; F216-F298 AromaticContact CE1-CD2 3.58Å; F216-F298 HydrophobicContact CE1-CD2 3.58Å; F216-F298 AromaticContact CE1-CE2 3.61Å; F216-F298 HydrophobicContact CE1-CE2 3.61Å; F216-F298 HydrophobicContact CE2-CD2 4.03Å; F216-F298 HydrophobicContact CE2-CE2 4.02Å; F216-F298 HydrophobicContact CE2-CG 4.34Å; F216-F298 HydrophobicContact CE2-CZ 4.29Å; F216-F298 WeakPolarHBondContact CE2-O 3.42Å; F216-F298 HydrophobicContact CG-CD2 4.32Å; F216-F298 AromaticContact CG-CE2 3.59Å; F216-F298 HydrophobicContact CG-CE2 3.59Å; F216-F298 AromaticContact CG-CZ 3.88Å; F216-F298 HydrophobicContact CG-CZ 3.88Å; F216-F298 AromaticContact CZ-CD2 3.63Å; F216-F298 HydrophobicContact CZ-CD2 3.63Å; F216-F298 AromaticContact CZ-CE2 3.89Å; F216-F298 HydrophobicContact CZ-CE2 3.89Å; F216-F298 HydrophobicContact CZ-CG 4.16Å; L219-F298 HydrophobicContact CD1-CE1 4.3Å; L219-F298 HydrophobicContact CD1-CZ 3.78Å; L219-F298 HydrophobicContact CD2-CE1 4.44Å; L219-F298 HydrophobicContact CD2-CZ 3.84Å; L219-F298 HydrophobicContact CG-CZ 4Å; W264-F298 AromaticContact CE3-CE1 3.85Å; W264-F298 HydrophobicContact CE3-CE1 3.85Å; W264-F298 AromaticContact CZ3-CE1 3.99Å; W264-F298 HydrophobicContact CZ3-CE1 3.99Å; Y268-F298 HydrophobicContact CD1-CE2 4.22Å; Y268-F298 AromaticContact CD2-CE2 3.66Å; Y268-F298 HydrophobicContact CD2-CE2 3.66Å; Y268-F298 AromaticContact CD2-CZ 3.92Å; Y268-F298 HydrophobicContact CD2-CZ 3.92Å; Y268-F298 HydrophobicContact CE2-CE2 4.11Å; Y268-F298 HydrophobicContact CE2-CZ 4.44Å; Y268-F298 AromaticContact CG-CE2 3.72Å; Y268-F298 HydrophobicContact CG-CE2 3.72Å; Y268-F298 HydrophobicContact CG-CZ 4.32Å; V271-F298 HydrophobicContact CG1-CD1 4.11Å; V271-F298 HydrophobicContact CG1-CG 4.42Å; V271-F298 HydrophobicContact CG2-CB 4.01Å; V271-F298 HydrophobicContact CG2-CD1 3.84Å; V271-F298 HydrophobicContact CG2-CD2 3.58Å; V271-F298 HydrophobicContact CG2-CE1 4.19Å; V271-F298 HydrophobicContact CG2-CE2 3.94Å; V271-F298 HydrophobicContact CG2-CG 3.52Å; V271-F298 HydrophobicContact CG2-CZ 4.23Å; F294-F298 WeakPolarHBondContact O-CB 3.48Å; F294-F298 PolarHBondContact O-N 3.49Å; S295-F298 WeakPolarHBondContact O-CB 3.32Å; S295-F298 PolarHBondContact O-N 2.86Å; Y296-F298 VanDerWaalsContact C-N 3.28Å; Y296-F298 PolarHBondContact O-N 2.78Å; F298-S300 VanDerWaalsContact C-N 3.27Å; F298-S300 PolarHBondContact O-N 3Å; F298-Q301 PolarHBondContact O-N 2.74Å; F298-L302 HydrophobicContact CE1-CD2 4.38Å; F298-L302 PolarHBondContact O-N 3.11Å |
| 299 | V | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.2 | -33.8 | 180 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | I288 S295 Y296 L302 Y303 L357 I360 | I288-V299 HydrophobicContact CD1-CG1 4.05Å; S295-V299 WeakPolarHBondContact O-CG2 3.28Å; S295-V299 PolarHBondContact O-N 3.23Å; Y296-V299 WeakPolarHBondContact O-CG2 3.48Å; V299-L302 PolarHBondContact O-N 3.27Å; V299-Y303 WeakPolarHBondContact O-CD2 3.29Å; V299-Y303 PolarHBondContact O-N 2.78Å; V299-L357 HydrophobicContact CB-CD1 4.44Å; V299-L357 HydrophobicContact CG2-CD1 4.16Å; V299-I360 HydrophobicContact CG2-CD1 4.12Å |
| 300 | S | 98.5 | Very high | 97.9 | Very high | 27 Ų | 27 | 40.6 Ų | 40.6 | 19% | 0.189 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.3 | -47.7 | 174.4 | 178.2 | 0 | 0 | 0 | 0 | 112.7 | Y296 F298 K304 I360 V364 | Y296-S300 WeakPolarHBondContact O-CB 3.47Å; Y296-S300 PolarHBondContact O-N 2.85Å; F298-S300 VanDerWaalsContact C-N 3.27Å; F298-S300 PolarHBondContact O-N 3Å; S300-K304 WeakPolarHBondContact O-CB 3.49Å; S300-K304 PolarHBondContact O-N 3.42Å; S300-K304 VanDerWaalsContact O-N 3.12Å; S300-I360 VanDerWaalsContact CA-CG2 3.46Å; S300-V364 WeakPolarHBondContact OG-CG1 3.49Å |
| 301 | Q | 98.6 | Very high | 97.8 | Very high | 79 Ų | 79 | 42.7 Ų | 42.7 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.9 | -38 | 177.2 | -73.8 | 177.7 | 92.6 | 0 | 0 | 112.2 | T215 F216 N297 F298 K304 E305 | T215-Q301 HydrophobicContact CG2-CB 4.23Å; F216-Q301 HydrophobicContact CE2-CB 3.78Å; F216-Q301 HydrophobicContact CZ-CB 3.77Å; N297-Q301 PolarHBondContact ND2-NE2 2.74Å; N297-Q301 WeakPolarHBondContact O-CG 3.46Å; N297-Q301 PolarHBondContact O-N 3.27Å; N297-Q301 VanDerWaalsContact O-N 3.11Å; N297-Q301 PolarHBondContact O-NE2 3Å; N297-Q301 PolarHBondContact OD1-NE2 2.98Å; F298-Q301 PolarHBondContact O-N 2.74Å; Q301-K304 WeakPolarHBondContact O-CB 3.44Å; Q301-K304 PolarHBondContact O-N 3.45Å; Q301-E305 PolarHBondContact O-N 2.85Å |
| 302 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -51 | 176.5 | -179.1 | 61.8 | 0 | 0 | 0 | 110.7 | F216 L219 F255 W264 F298 V299 K304 E305 L306 | F216-L302 HydrophobicContact CD2-CB 4.29Å; F216-L302 HydrophobicContact CD2-CD1 4.44Å; F216-L302 HydrophobicContact CE2-CB 4.15Å; L219-L302 HydrophobicContact CD1-CD1 4.27Å; F255-L302 HydrophobicContact CD1-CD2 4.39Å; W264-L302 HydrophobicContact CH2-CD2 3.74Å; W264-L302 HydrophobicContact CZ3-CD2 3.75Å; F298-L302 HydrophobicContact CE1-CD2 4.38Å; F298-L302 PolarHBondContact O-N 3.11Å; V299-L302 PolarHBondContact O-N 3.27Å; L302-K304 VanDerWaalsContact C-N 3.27Å; L302-K304 PolarHBondContact O-N 2.91Å; L302-E305 WeakPolarHBondContact O-CA 3.21Å; L302-E305 WeakPolarHBondContact O-CB 3.32Å; L302-E305 PolarHBondContact O-N 2.88Å; L302-L306 HydrophobicContact CD1-CG 4.4Å; L302-L306 HydrophobicContact CG-CD1 4.12Å; L302-L306 HydrophobicContact CG-CG 4.33Å; L302-L306 WeakPolarHBondContact O-CG 3.27Å; L302-L306 PolarHBondContact O-N 3.39Å |
| 303 | Y | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -32.9 | 178.7 | -89.4 | -84.5 | 0 | 0 | 0 | 113 | V299 E305 L306 F307 F315 L317 L357 I361 | V299-Y303 WeakPolarHBondContact O-CD2 3.29Å; V299-Y303 PolarHBondContact O-N 2.78Å; Y303-E305 VanDerWaalsContact C-N 3.3Å; Y303-E305 PolarHBondContact O-N 3.24Å; Y303-L306 HydrophobicContact CD1-CD1 4.28Å; Y303-L306 HydrophobicContact CE1-CD1 4.37Å; Y303-L306 HydrophobicContact CG-CD1 4.49Å; Y303-L306 PolarHBondContact O-N 3.08Å; Y303-F307 HydrophobicContact CD1-CE1 4.16Å; Y303-F307 AromaticContact CD1-CZ 4Å; Y303-F307 HydrophobicContact CD1-CZ 4Å; Y303-F307 WeakPolarHBondContact O-CD2 3.33Å; Y303-F307 WeakPolarHBondContact O-CG 2.81Å; Y303-F307 PolarHBondContact O-N 3.22Å; Y303-F315 HydrophobicContact CD1-CD1 4.5Å; Y303-F315 HydrophobicContact CE1-CB 4.46Å; Y303-F315 HydrophobicContact CE1-CD1 4.23Å; Y303-L317 HydrophobicContact CE1-CD2 3.78Å; Y303-L317 VanDerWaalsContact OH-CD2 3.23Å; Y303-L317 WeakPolarHBondContact OH-CD2 3.37Å; Y303-L357 HydrophobicContact CD2-CD1 4.17Å; Y303-L357 HydrophobicContact CE2-CD1 3.86Å; Y303-I361 HydrophobicContact CD1-CD1 4.37Å; Y303-I361 HydrophobicContact CD1-CG1 4.07Å; Y303-I361 HydrophobicContact CE1-CD1 4.15Å; Y303-I361 HydrophobicContact CE1-CG1 4.36Å; Y303-I361 HydrophobicContact CG-CG1 4.27Å |
| 304 | K | 98.4 | Very high | 98.1 | Very high | 127 Ų | 127 | 34.2 Ų | 34.2 | 55% | 0.552 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -60.2 | -39.9 | 172.3 | -171.9 | 178.4 | -178.6 | 179.4 | 0 | 112.2 | S300 Q301 L302 N308 V364 | S300-K304 WeakPolarHBondContact O-CB 3.49Å; S300-K304 PolarHBondContact O-N 3.42Å; S300-K304 VanDerWaalsContact O-N 3.12Å; Q301-K304 WeakPolarHBondContact O-CB 3.44Å; Q301-K304 PolarHBondContact O-N 3.45Å; L302-K304 VanDerWaalsContact C-N 3.27Å; L302-K304 PolarHBondContact O-N 2.91Å; K304-N308 PolarHBondContact O-ND2 3.49Å; K304-V364 HydrophobicContact CB-CG2 4.45Å |
| 305 | E | 98.5 | Very high | 98.2 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 7% | 0.065 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.2 | -48.4 | 171.9 | 176.5 | 179.4 | 109 | 0 | 0 | 111.5 | Y211 S213 E214 T215 Q301 L302 Y303 F307 N308 V309 | Y211-E305 WeakPolarHBondContact CE1-OE1 3.16Å; Y211-E305 PolarHBondContact OH-OE1 3.46Å; S213-E305 WeakPolarHBondContact CA-OE1 3.31Å; S213-E305 WeakPolarHBondContact CB-OE1 3.37Å; S213-E305 VanDerWaalsContact OG-CD 3.28Å; S213-E305 PolarHBondContact OG-OE1 3.04Å; S213-E305 PolarHBondContact OG-OE2 2.84Å; E214-E305 PolarHBondContact N-OE1 2.61Å; E214-E305 PolarHBondContact N-OE2 3.28Å; T215-E305 WeakPolarHBondContact CA-OE2 3.42Å; T215-E305 WeakPolarHBondContact CB-OE2 3.08Å; T215-E305 PolarHBondContact N-OE2 2.72Å; T215-E305 PolarHBondContact OG1-OE2 3.2Å; Q301-E305 PolarHBondContact O-N 2.85Å; L302-E305 WeakPolarHBondContact O-CA 3.21Å; L302-E305 WeakPolarHBondContact O-CB 3.32Å; L302-E305 PolarHBondContact O-N 2.88Å; Y303-E305 VanDerWaalsContact C-N 3.3Å; Y303-E305 PolarHBondContact O-N 3.24Å; E305-F307 PolarHBondContact O-N 3.07Å; E305-N308 WeakPolarHBondContact O-CA 3.04Å; E305-N308 WeakPolarHBondContact O-CB 3.49Å; E305-N308 PolarHBondContact O-N 2.84Å; E305-V309 HydrophobicContact CG-CG2 4.41Å; E305-V309 PolarHBondContact O-N 2.79Å |
| 306 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.7 | -36.8 | -179.1 | -63.1 | 177.7 | 0 | 0 | 0 | 112.1 | Y211 F255 L302 Y303 N308 V309 F310 F315 | Y211-L306 HydrophobicContact CD1-CD2 4.37Å; Y211-L306 HydrophobicContact CE1-CD2 3.67Å; F255-L306 HydrophobicContact CB-CD1 4.49Å; F255-L306 HydrophobicContact CD1-CD1 4.12Å; F255-L306 HydrophobicContact CD2-CD1 3.56Å; F255-L306 HydrophobicContact CD2-CD2 4.3Å; F255-L306 HydrophobicContact CE1-CD1 4.25Å; F255-L306 HydrophobicContact CE1-CD2 4.11Å; F255-L306 HydrophobicContact CE2-CD1 3.7Å; F255-L306 HydrophobicContact CE2-CD2 3.54Å; F255-L306 HydrophobicContact CE2-CG 4.27Å; F255-L306 HydrophobicContact CG-CD1 3.8Å; F255-L306 HydrophobicContact CZ-CD1 4.05Å; F255-L306 HydrophobicContact CZ-CD2 3.43Å; F255-L306 VanDerWaalsContact CZ-CD2 3.43Å; F255-L306 HydrophobicContact CZ-CG 4.4Å; L302-L306 HydrophobicContact CD1-CG 4.4Å; L302-L306 HydrophobicContact CG-CD1 4.12Å; L302-L306 HydrophobicContact CG-CG 4.33Å; L302-L306 WeakPolarHBondContact O-CG 3.27Å; L302-L306 PolarHBondContact O-N 3.39Å; Y303-L306 HydrophobicContact CD1-CD1 4.28Å; Y303-L306 HydrophobicContact CE1-CD1 4.37Å; Y303-L306 HydrophobicContact CG-CD1 4.49Å; Y303-L306 PolarHBondContact O-N 3.08Å; L306-N308 VanDerWaalsContact C-N 3.28Å; L306-N308 PolarHBondContact O-N 2.98Å; L306-V309 PolarHBondContact O-N 2.89Å; L306-F310 HydrophobicContact CB-CD2 4.42Å; L306-F310 HydrophobicContact CD2-CD2 4.33Å; L306-F310 HydrophobicContact CD2-CE2 3.98Å; L306-F310 WeakPolarHBondContact O-CD2 3.08Å; L306-F310 PolarHBondContact O-N 2.83Å; L306-F315 HydrophobicContact CB-CE1 4.07Å |
| 307 | F | 98.2 | Very high | 98.2 | Very high | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.3 | -31.6 | 173.2 | -63.1 | -35.6 | 0 | 0 | 0 | 113 | Y303 E305 F315 I361 V364 K365 P366 R369 I371 | Y303-F307 HydrophobicContact CD1-CE1 4.16Å; Y303-F307 AromaticContact CD1-CZ 4Å; Y303-F307 HydrophobicContact CD1-CZ 4Å; Y303-F307 WeakPolarHBondContact O-CD2 3.33Å; Y303-F307 WeakPolarHBondContact O-CG 2.81Å; Y303-F307 PolarHBondContact O-N 3.22Å; E305-F307 PolarHBondContact O-N 3.07Å; F307-F315 HydrophobicContact CD1-CD2 4.18Å; F307-F315 AromaticContact CD1-CE1 3.96Å; F307-F315 HydrophobicContact CD1-CE1 3.96Å; F307-F315 AromaticContact CD1-CE2 3.55Å; F307-F315 HydrophobicContact CD1-CE2 3.55Å; F307-F315 AromaticContact CD1-CZ 3.45Å; F307-F315 HydrophobicContact CD1-CZ 3.45Å; F307-F315 VanDerWaalsContact CD1-CZ 3.45Å; F307-F315 HydrophobicContact CE1-CD1 4.21Å; F307-F315 AromaticContact CE1-CD2 3.8Å; F307-F315 HydrophobicContact CE1-CD2 3.8Å; F307-F315 HydrophobicContact CE1-CE1 4.11Å; F307-F315 AromaticContact CE1-CE2 3.67Å; F307-F315 HydrophobicContact CE1-CE2 3.67Å; F307-F315 HydrophobicContact CE1-CG 4.09Å; F307-F315 AromaticContact CE1-CZ 3.85Å; F307-F315 HydrophobicContact CE1-CZ 3.85Å; F307-I361 HydrophobicContact CZ-CB 4.34Å; F307-I361 HydrophobicContact CZ-CG1 4.26Å; F307-I361 HydrophobicContact CZ-CG2 3.94Å; F307-V364 HydrophobicContact CD2-CG2 4.17Å; F307-V364 HydrophobicContact CE2-CG2 3.65Å; F307-K365 HydrophobicContact CD2-CB 4.37Å; F307-K365 HydrophobicContact CE2-CB 4.11Å; F307-P366 HydrophobicContact CB-CG 3.87Å; F307-R369 PolarHBondContact O-NH1 2.74Å; F307-I371 HydrophobicContact CD1-CD1 4.05Å; F307-I371 HydrophobicContact CD1-CG1 4.36Å; F307-I371 HydrophobicContact CE1-CD1 4.06Å; F307-I371 HydrophobicContact CE1-CG1 4.01Å; F307-I371 HydrophobicContact CE1-CG2 3.95Å; F307-I371 HydrophobicContact CZ-CG1 4.27Å; F307-I371 HydrophobicContact CZ-CG2 4.25Å |
| 308 | N | 96.7 | Very high | 98.2 | Very high | 125 Ų | 125 | 24.6 Ų | 24.6 | 67% | 0.668 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -76.9 | -27.9 | 175.9 | -65 | -32.3 | 0 | 0 | 0 | 112.2 | K304 E305 L306 | K304-N308 PolarHBondContact O-ND2 3.49Å; E305-N308 WeakPolarHBondContact O-CA 3.04Å; E305-N308 WeakPolarHBondContact O-CB 3.49Å; E305-N308 PolarHBondContact O-N 2.84Å; L306-N308 VanDerWaalsContact C-N 3.28Å; L306-N308 PolarHBondContact O-N 2.98Å |
| 309 | V | 98.3 | Very high | 98.1 | Very high | 43 Ų | 43 | 24.5 Ų | 24.5 | 26% | 0.261 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -84 | -48.4 | -179.4 | 174.8 | 0 | 0 | 0 | 0 | 111.9 | Y211 M237 L241 E305 L306 P311 | Y211-V309 HydrophobicContact CE2-CG1 4.42Å; Y211-V309 WeakPolarHBondContact OH-CG2 3.49Å; M237-V309 HydrophobicContact CB-CG1 4.22Å; L241-V309 HydrophobicContact CD1-CG1 4.12Å; L241-V309 WeakPolarHBondContact CD1-O 3.3Å; E305-V309 HydrophobicContact CG-CG2 4.41Å; E305-V309 PolarHBondContact O-N 2.79Å; L306-V309 PolarHBondContact O-N 2.89Å; V309-P311 WeakPolarHBondContact O-CD 3.39Å |
| 310 | F | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 13% | 0.13 | C | C | . | . | trans | -94.4 | 118.5 | -175.8 | -68 | -88.4 | 0 | 0 | 0 | 111.2 | I203 M237 L241 I251 P253 F255 L306 D312 F315 R369 | I203-F310 HydrophobicContact CD1-CE1 4.12Å; I203-F310 HydrophobicContact CD1-CE2 4.37Å; I203-F310 HydrophobicContact CD1-CZ 3.48Å; I203-F310 VanDerWaalsContact CD1-CZ 3.48Å; M237-F310 HydrophobicContact CE-CE1 3.68Å; M237-F310 HydrophobicContact CE-CE2 4.17Å; M237-F310 HydrophobicContact CE-CZ 3.29Å; L241-F310 HydrophobicContact CD2-CD1 3.77Å; L241-F310 HydrophobicContact CD2-CE1 4.14Å; I251-F310 HydrophobicContact CG2-CD1 4.2Å; I251-F310 HydrophobicContact CG2-CE1 3.95Å; P253-F310 HydrophobicContact CB-CD1 3.89Å; P253-F310 HydrophobicContact CB-CD2 4.13Å; P253-F310 HydrophobicContact CB-CE1 3.71Å; P253-F310 HydrophobicContact CB-CE2 3.95Å; P253-F310 HydrophobicContact CB-CG 4.1Å; P253-F310 HydrophobicContact CB-CZ 3.73Å; P253-F310 HydrophobicContact CG-CB 4.12Å; P253-F310 HydrophobicContact CG-CD1 3.77Å; P253-F310 HydrophobicContact CG-CD2 3.9Å; P253-F310 HydrophobicContact CG-CE1 4.13Å; P253-F310 HydrophobicContact CG-CE2 4.25Å; P253-F310 HydrophobicContact CG-CG 3.65Å; P253-F310 HydrophobicContact CG-CZ 4.35Å; F255-F310 HydrophobicContact CE2-CE2 4.37Å; L306-F310 HydrophobicContact CB-CD2 4.42Å; L306-F310 HydrophobicContact CD2-CD2 4.33Å; L306-F310 HydrophobicContact CD2-CE2 3.98Å; L306-F310 WeakPolarHBondContact O-CD2 3.08Å; L306-F310 PolarHBondContact O-N 2.83Å; F310-D312 VanDerWaalsContact C-N 3.28Å; F310-D312 PolarHBondContact O-N 3.08Å; F310-F315 HydrophobicContact CB-CE1 4.07Å; F310-F315 HydrophobicContact CB-CZ 3.79Å; F310-F315 HydrophobicContact CD2-CE1 4.46Å; F310-R369 PolarHBondContact O-NH1 2.89Å; F310-R369 VanDerWaalsContact O-NH1 3.17Å; F310-R369 PolarHBondContact O-NH2 2.84Å | ||
| 311 | P | 97 | Very high | 98 | Very high | 45 Ų | 45 | 29.1 Ų | 29.1 | 29% | 0.292 | 15% | 0.146 | S | C | . | . | trans | -72.4 | -21.1 | 178.2 | -23.5 | 38.5 | 0 | 0 | 0 | 113.7 | W105 V309 R369 | W105-P311 HydrophobicContact CD2-CB 3.76Å; W105-P311 HydrophobicContact CD2-CG 3.83Å; W105-P311 HydrophobicContact CE3-CB 3.79Å; W105-P311 HydrophobicContact CE3-CG 3.67Å; W105-P311 HydrophobicContact CG-CB 4.19Å; W105-P311 HydrophobicContact CH2-CG 3.68Å; W105-P311 HydrophobicContact CZ2-CG 3.81Å; W105-P311 HydrophobicContact CZ3-CB 4.25Å; W105-P311 HydrophobicContact CZ3-CG 3.6Å; V309-P311 WeakPolarHBondContact O-CD 3.39Å; P311-R369 PolarHBondContact O-NH2 3.28Å | ||
| 312 | D | 98.1 | Very high | 97.9 | Very high | 9 Ų | 9 | 26 Ų | 26 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | trans | -65.1 | 143.8 | -175.8 | -162 | -108.1 | 0 | 0 | 0 | 112.6 | R250 I251 F310 W314 F315 R369 | R250-D312 WeakPolarHBondContact CB-OD2 3.47Å; R250-D312 WeakPolarHBondContact CD-OD2 3.46Å; R250-D312 VanDerWaalsContact CG-OD2 3.3Å; R250-D312 WeakPolarHBondContact CG-OD2 3.45Å; R250-D312 VanDerWaalsContact CZ-CG 3.48Å; R250-D312 IonicContact CZ-OD1 3.51Å; R250-D312 IonicContact CZ-OD2 2.85Å; R250-D312 IonicContact NE-OD1 2.81Å; R250-D312 IonicContact NE-OD2 3.05Å; R250-D312 PolarHBondContact NE-OD2 3.09Å; R250-D312 IonicContact NH1-OD2 3.59Å; R250-D312 PolarHBondContact NH1-OD2 3.05Å; R250-D312 VanDerWaalsContact NH2-CG 3.28Å; R250-D312 IonicContact NH2-OD1 2.85Å; R250-D312 PolarHBondContact NH2-OD1 3.27Å; R250-D312 IonicContact NH2-OD2 3.69Å; R250-D312 PolarHBondContact NH2-OD2 3.41Å; R250-D312 VanDerWaalsContact NH2-OD2 3.1Å; I251-D312 WeakPolarHBondContact O-CB 3.42Å; F310-D312 VanDerWaalsContact C-N 3.28Å; F310-D312 PolarHBondContact O-N 3.08Å; D312-W314 VanDerWaalsContact C-N 3.33Å; D312-W314 WeakPolarHBondContact OD1-CB 3.43Å; D312-W314 PolarHBondContact OD1-N 3.5Å; D312-F315 WeakPolarHBondContact O-CE2 3.48Å; D312-R369 PolarHBondContact O-NH2 3.43Å | ||
| 313 | N | 97.8 | Very high | 97.8 | Very high | 33 Ų | 33 | 32 Ų | 32 | 18% | 0.176 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -83.2 | -9.8 | 179.4 | -74 | -36.7 | 0 | 0 | 0 | 113.5 | E108 R369 I371 T372 | E108-N313 PolarHBondContact OE1-ND2 3.07Å; N313-R369 PolarHBondContact OD1-NE 3.08Å; N313-I371 CarbonylContact O-C 3.44Å; N313-I371 VanDerWaalsContact O-CA 3.28Å; N313-I371 WeakPolarHBondContact O-CA 3.43Å; N313-T372 PolarHBondContact O-N 3.46Å |
| 314 | W | 98.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 3% | 0.027 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.1 | -177.6 | -66.2 | 37.3 | 0 | 0 | 0 | 109.2 | E108 H167 R250 M252 D312 T372 V374 V391 V453 | E108-W314 HydrophobicContact CB-CZ2 4.48Å; H167-W314 AromaticContact ND1-CE3 3.98Å; H167-W314 AromaticContact ND1-CZ3 3.8Å; R250-W314 VanDerWaalsContact NH2-CD1 3.32Å; M252-W314 HydrophobicContact CG-CB 4.07Å; M252-W314 WeakPolarHBondContact CG-O 3.38Å; M252-W314 HydrophobicContact SD-CB 3.8Å; M252-W314 HydrophobicContact SD-CE3 4.27Å; D312-W314 VanDerWaalsContact C-N 3.33Å; D312-W314 WeakPolarHBondContact OD1-CB 3.43Å; D312-W314 PolarHBondContact OD1-N 3.5Å; W314-T372 WeakPolarHBondContact CA-O 3.41Å; W314-T372 HydrophobicContact CD2-CG2 3.85Å; W314-T372 HydrophobicContact CE3-CG2 4.27Å; W314-T372 HydrophobicContact CG-CG2 4.15Å; W314-T372 HydrophobicContact CZ2-CG2 4.36Å; W314-V374 HydrophobicContact CB-CG2 4.25Å; W314-V374 HydrophobicContact CD2-CG2 4.31Å; W314-V374 HydrophobicContact CE3-CG2 3.61Å; W314-V374 HydrophobicContact CZ3-CG2 4.36Å; W314-V391 HydrophobicContact CE3-CG2 4.39Å; W314-V391 HydrophobicContact CH2-CG2 3.79Å; W314-V391 HydrophobicContact CZ2-CG2 4.43Å; W314-V391 HydrophobicContact CZ3-CB 4.28Å; W314-V391 HydrophobicContact CZ3-CG1 4.12Å; W314-V391 HydrophobicContact CZ3-CG2 3.77Å; W314-V453 HydrophobicContact CH2-CB 4.35Å; W314-V453 HydrophobicContact CH2-CG1 4.49Å; W314-V453 HydrophobicContact CH2-CG2 3.97Å; W314-V453 HydrophobicContact CZ3-CG2 4.28Å |
| 315 | F | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 123.2 | 178.2 | -75.8 | -102.8 | 0 | 0 | 0 | 107.6 | P253 Y303 L306 F307 F310 D312 L317 I371 T372 V374 | P253-F315 HydrophobicContact CG-CD1 3.45Å; P253-F315 VanDerWaalsContact CG-CD1 3.45Å; P253-F315 HydrophobicContact CG-CE1 3.44Å; P253-F315 VanDerWaalsContact CG-CE1 3.44Å; P253-F315 HydrophobicContact CG-CG 4.24Å; P253-F315 HydrophobicContact CG-CZ 4.24Å; Y303-F315 HydrophobicContact CD1-CD1 4.5Å; Y303-F315 HydrophobicContact CE1-CB 4.46Å; Y303-F315 HydrophobicContact CE1-CD1 4.23Å; L306-F315 HydrophobicContact CB-CE1 4.07Å; F307-F315 HydrophobicContact CD1-CD2 4.18Å; F307-F315 AromaticContact CD1-CE1 3.96Å; F307-F315 HydrophobicContact CD1-CE1 3.96Å; F307-F315 AromaticContact CD1-CE2 3.55Å; F307-F315 HydrophobicContact CD1-CE2 3.55Å; F307-F315 AromaticContact CD1-CZ 3.45Å; F307-F315 HydrophobicContact CD1-CZ 3.45Å; F307-F315 VanDerWaalsContact CD1-CZ 3.45Å; F307-F315 HydrophobicContact CE1-CD1 4.21Å; F307-F315 AromaticContact CE1-CD2 3.8Å; F307-F315 HydrophobicContact CE1-CD2 3.8Å; F307-F315 HydrophobicContact CE1-CE1 4.11Å; F307-F315 AromaticContact CE1-CE2 3.67Å; F307-F315 HydrophobicContact CE1-CE2 3.67Å; F307-F315 HydrophobicContact CE1-CG 4.09Å; F307-F315 AromaticContact CE1-CZ 3.85Å; F307-F315 HydrophobicContact CE1-CZ 3.85Å; F310-F315 HydrophobicContact CB-CE1 4.07Å; F310-F315 HydrophobicContact CB-CZ 3.79Å; F310-F315 HydrophobicContact CD2-CE1 4.46Å; D312-F315 WeakPolarHBondContact O-CE2 3.48Å; F315-L317 HydrophobicContact CB-CD2 4.12Å; F315-I371 HydrophobicContact CD2-CD1 4.4Å; F315-I371 HydrophobicContact CD2-CG2 3.93Å; F315-I371 HydrophobicContact CE2-CD1 4.05Å; F315-T372 PolarHBondContact N-O 2.97Å; F315-T372 VanDerWaalsContact N-O 3.15Å; F315-V374 PolarHBondContact O-N 3.1Å |
| 316 | H | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 123.6 | 173 | -156 | -74.3 | 0 | 0 | 0 | 108.8 | H200 M252 P253 E254 F255 G318 V374 W376 H393 | H200-H316 AromaticContact CE1-CD2 3.51Å; H200-H316 AromaticContact CE1-CG 3.69Å; H200-H316 WeakPolarHBondContact NE2-CB 3.12Å; H200-H316 AromaticContact NE2-CD2 3.8Å; H200-H316 AromaticContact NE2-CG 3.51Å; M252-H316 HydrophobicContact CE-CB 4.45Å; P253-H316 PolarHBondContact O-N 3.24Å; E254-H316 WeakPolarHBondContact CA-O 3.33Å; E254-H316 HydrophobicContact CB-CB 3.74Å; E254-H316 VanDerWaalsContact CD-ND1 3.34Å; E254-H316 HydrophobicContact CG-CB 3.85Å; E254-H316 IonicContact OE1-CE1 2.8Å; E254-H316 PolarHBondContact OE1-CE1 2.86Å; E254-H316 IonicContact OE1-CG 3.61Å; E254-H316 IonicContact OE1-ND1 2.7Å; E254-H316 PolarHBondContact OE1-ND1 2.97Å; F255-H316 PolarHBondContact N-O 3.45Å; H316-G318 PolarHBondContact ND1-N 3.04Å; H316-G318 VanDerWaalsContact ND1-N 3.15Å; H316-V374 CarbonylContact C-O 3.39Å; H316-V374 WeakPolarHBondContact CA-O 3.37Å; H316-V374 HydrophobicContact CB-CB 4.37Å; H316-V374 WeakPolarHBondContact CD2-CG1 3.25Å; H316-W376 AromaticContact CE1-CD1 3.61Å; H316-W376 AromaticContact CE1-CD2 3.39Å; H316-W376 AromaticContact CE1-CE2 3.24Å; H316-W376 AromaticContact CE1-CG 3.6Å; H316-W376 AromaticContact CE1-CZ2 3.75Å; H316-W376 AromaticContact CE1-NE1 3.36Å; H316-W376 PolarHBondContact CE1-NE1 2.84Å; H316-W376 AromaticContact ND1-CE2 3.96Å; H316-W376 AromaticContact ND1-NE1 3.85Å; H316-W376 AromaticContact NE2-CD2 3.75Å; H316-W376 AromaticContact NE2-CE2 3.82Å; H316-W376 AromaticContact NE2-CE3 3.91Å; H316-H393 AromaticContact CD2-ND1 3.83Å; H316-H393 AromaticContact NE2-ND1 3.59Å |
| 317 | L | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -98.9 | -4.1 | -175.3 | -44.9 | -174.4 | 0 | 0 | 0 | 112 | T257 Y303 F315 L357 I358 I361 P373 V374 V375 | T257-L317 PolarHBondContact N-O 2.7Å; T257-L317 VanDerWaalsContact N-O 3.16Å; Y303-L317 HydrophobicContact CE1-CD2 3.78Å; Y303-L317 VanDerWaalsContact OH-CD2 3.23Å; Y303-L317 WeakPolarHBondContact OH-CD2 3.37Å; F315-L317 HydrophobicContact CB-CD2 4.12Å; L317-L357 HydrophobicContact CB-CD2 4.07Å; L317-L357 HydrophobicContact CD1-CD2 4.14Å; L317-L357 HydrophobicContact CD1-CG 4.3Å; L317-I358 HydrophobicContact CD1-CG1 3.98Å; L317-I361 HydrophobicContact CD1-CD1 3.37Å; L317-I361 HydrophobicContact CD2-CD1 3.35Å; L317-I361 HydrophobicContact CG-CD1 4Å; L317-P373 HydrophobicContact CD1-CB 3.58Å; L317-P373 HydrophobicContact CG-CB 4.17Å; L317-V374 PolarHBondContact N-O 2.81Å; L317-V375 HydrophobicContact CB-CG1 4.07Å; L317-V375 HydrophobicContact CD1-CG1 4.28Å; L317-V375 HydrophobicContact CG-CG1 4.38Å | ||
| 318 | G | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | 71.8 | -130.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | D256 H316 W376 | D256-G318 VanDerWaalsContact OD1-CA 3.27Å; D256-G318 WeakPolarHBondContact OD1-CA 3.38Å; D256-G318 VanDerWaalsContact OD2-CA 3.27Å; D256-G318 WeakPolarHBondContact OD2-CA 3.2Å; H316-G318 PolarHBondContact ND1-N 3.04Å; H316-G318 VanDerWaalsContact ND1-N 3.15Å; G318-W376 VanDerWaalsContact CA-CD1 3.49Å; G318-W376 PolarHBondContact O-N 3.1Å | ||
| 319 | G | 96.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | 92.3 | 26.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D256 T257 E378 I379 | D256-G319 PolarHBondContact OD1-N 3.37Å; T257-G319 PolarHBondContact O-N 2.99Å; G319-E378 WeakPolarHBondContact O-CB 3.3Å; G319-I379 VanDerWaalsContact O-CD1 3.23Å; G319-I379 WeakPolarHBondContact O-CD1 3.1Å | ||
| 320 | D | 97.2 | Very high | 97.5 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 6% | 0.059 | 15% | 0.151 | C | C | . | . | trans | -94 | 166.1 | 168.4 | 67.8 | -52.3 | 0 | 0 | 0 | 111.2 | H260 V322 W376 W395 | H260-D320 IonicContact CD2-OD1 3.16Å; H260-D320 PolarHBondContact CD2-OD1 2.64Å; H260-D320 VanDerWaalsContact CD2-OD1 3.29Å; H260-D320 IonicContact CD2-OD2 3.11Å; H260-D320 IonicContact CE1-OD2 2.97Å; H260-D320 IonicContact NE2-OD1 3.62Å; H260-D320 PolarHBondContact NE2-OD1 2.95Å; H260-D320 IonicContact NE2-OD2 2.73Å; H260-D320 PolarHBondContact NE2-OD2 3.18Å; D320-V322 WeakPolarHBondContact O-CG2 3.43Å; D320-V322 PolarHBondContact O-N 3.22Å; D320-W376 HydrophobicContact CB-CB 3.85Å; D320-W376 HydrophobicContact CB-CG 3.85Å; D320-W376 VanDerWaalsContact CG-CD1 3.47Å; D320-W395 HydrophobicContact CB-CZ2 4.26Å | ||
| 321 | E | 96 | Very high | 97.4 | Very high | 113 Ų | 113 | 34.6 Ų | 34.6 | 53% | 0.528 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 46.8 | 30.4 | 165.4 | -56.9 | -165.8 | 152.6 | 0 | 0 | 116.9 | E323 W395 | E321-E323 PolarHBondContact O-N 3.38Å; E321-E323 VanDerWaalsContact O-N 3.14Å; E321-W395 HydrophobicContact CG-CH2 4.43Å; E321-W395 HydrophobicContact CG-CZ2 4.25Å; E321-W395 WeakPolarHBondContact OE1-CH2 3.35Å |
| 322 | V | 97.2 | Very high | 97.4 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 8% | 0.079 | 18% | 0.183 | C | C | . | . | trans | -69.3 | 115 | -176.9 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | P258 P287 D320 Y324 W327 E350 | P258-V322 HydrophobicContact CG-CG1 4.04Å; P258-V322 HydrophobicContact CG-CG2 3.88Å; P287-V322 HydrophobicContact CB-CG1 4.1Å; P287-V322 HydrophobicContact CG-CG1 3.79Å; D320-V322 WeakPolarHBondContact O-CG2 3.43Å; D320-V322 PolarHBondContact O-N 3.22Å; V322-Y324 HydrophobicContact CB-CD1 4.49Å; V322-Y324 HydrophobicContact CB-CE1 3.88Å; V322-Y324 HydrophobicContact CG1-CD1 3.93Å; V322-Y324 HydrophobicContact CG1-CE1 3.65Å; V322-Y324 WeakPolarHBondContact O-CE1 3.25Å; V322-Y324 PolarHBondContact O-N 2.95Å; V322-W327 HydrophobicContact CG1-CH2 3.81Å; V322-W327 HydrophobicContact CG1-CZ2 4.24Å; V322-W327 HydrophobicContact CG1-CZ3 4.11Å; V322-E350 HydrophobicContact CG2-CG 4.44Å; V322-E350 WeakPolarHBondContact CG2-OE1 3.05Å | ||
| 323 | E | 95.7 | Very high | 97.4 | Very high | 127 Ų | 127 | 37.2 Ų | 37.2 | 59% | 0.593 | 18% | 0.181 | S | C | * | . | trans | -79.4 | 110.8 | 176.9 | -77.8 | -65.6 | 160.6 | 0 | 0 | 112.9 | P287 E321 H325 | P287-E323 WeakPolarHBondContact CD-O 3.39Å; P287-E323 VanDerWaalsContact CG-O 3.3Å; P287-E323 WeakPolarHBondContact CG-O 3.41Å; E321-E323 PolarHBondContact O-N 3.38Å; E321-E323 VanDerWaalsContact O-N 3.14Å; E323-H325 PolarHBondContact O-N 2.78Å | ||
| 324 | Y | 97.1 | Very high | 97.4 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 15% | 0.153 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -2 | -172.9 | -55.5 | -43.4 | 0 | 0 | 0 | 115.9 | V322 C326 W327 R328 Y346 H347 E350 | V322-Y324 HydrophobicContact CB-CD1 4.49Å; V322-Y324 HydrophobicContact CB-CE1 3.88Å; V322-Y324 HydrophobicContact CG1-CD1 3.93Å; V322-Y324 HydrophobicContact CG1-CE1 3.65Å; V322-Y324 WeakPolarHBondContact O-CE1 3.25Å; V322-Y324 PolarHBondContact O-N 2.95Å; Y324-C326 PolarHBondContact O-N 2.78Å; Y324-W327 HydrophobicContact CD1-CD2 4.4Å; Y324-W327 AromaticContact CD1-CE3 3.44Å; Y324-W327 HydrophobicContact CD1-CE3 3.44Å; Y324-W327 VanDerWaalsContact CD1-CE3 3.44Å; Y324-W327 AromaticContact CD1-CZ3 3.54Å; Y324-W327 HydrophobicContact CD1-CZ3 3.54Å; Y324-W327 AromaticContact CE1-CE3 3.97Å; Y324-W327 HydrophobicContact CE1-CE3 3.97Å; Y324-W327 HydrophobicContact CE1-CH2 4.45Å; Y324-W327 AromaticContact CE1-CZ3 3.56Å; Y324-W327 HydrophobicContact CE1-CZ3 3.56Å; Y324-W327 HydrophobicContact CG-CE3 4.42Å; Y324-W327 PolarHBondContact O-N 3.36Å; Y324-R328 WeakPolarHBondContact O-CB 3.43Å; Y324-R328 PolarHBondContact O-N 3.2Å; Y324-Y346 HydrophobicContact CG-CG 4.31Å; Y324-H347 AromaticContact CE2-CD2 3.86Å; Y324-H347 AromaticContact CE2-NE2 3.82Å; Y324-H347 AromaticContact CZ-CD2 3.99Å; Y324-H347 PolarHBondContact OH-CD2 2.9Å; Y324-H347 VanDerWaalsContact OH-CD2 3.28Å; Y324-E350 HydrophobicContact CE1-CB 4.34Å; Y324-E350 PolarHBondContact OH-OE2 2.82Å; Y324-E350 VanDerWaalsContact OH-OE2 3.08Å |
| 325 | H | 96.8 | Very high | 97.4 | Very high | 106 Ų | 106 | 43.2 Ų | 43.2 | 49% | 0.491 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62.7 | -39 | -171.2 | 71.5 | -82.9 | 0 | 0 | 0 | 113.4 | E323 R328 S329 | E323-H325 PolarHBondContact O-N 2.78Å; H325-R328 PolarHBondContact O-N 2.97Å; H325-S329 WeakPolarHBondContact O-CB 3.39Å; H325-S329 PolarHBondContact O-N 2.86Å; H325-S329 PolarHBondContact O-OG 3.46Å |
| 326 | C | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -69 | -38 | 175.6 | -63.8 | 0 | 0 | 0 | 0 | 112.3 | T273 C275 G286 Y324 R328 S329 N330 | T273-C326 HydrophobicContact CG2-CB 4.14Å; C275-C326 HydrophobicContact CB-CB 3.83Å; C275-C326 WeakPolarHBondContact CB-SG 3.23Å; C275-C326 WeakPolarHBondContact SG-CB 3.44Å; C275-C326 CovalentContact SG-SG 2.02Å; C275-C326 PolarHBondContact SG-SG 3.5Å; G286-C326 VanDerWaalsContact CA-SG 3.5Å; Y324-C326 PolarHBondContact O-N 2.78Å; C326-R328 VanDerWaalsContact C-N 3.33Å; C326-S329 WeakPolarHBondContact CA-OG 3.32Å; C326-S329 PolarHBondContact O-N 3.23Å; C326-S329 PolarHBondContact O-OG 3.32Å; C326-S329 VanDerWaalsContact O-OG 3.13Å; C326-N330 VanDerWaalsContact O-CB 3.31Å; C326-N330 WeakPolarHBondContact O-CB 3.41Å; C326-N330 PolarHBondContact O-N 3.45Å; C326-N330 VanDerWaalsContact O-N 3.14Å |
| 327 | W | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 172.7 | -67.6 | -6.1 | 0 | 0 | 0 | 111.5 | P258 T273 P287 I288 P290 V322 Y324 S329 I333 Y346 L349 E350 | P258-W327 HydrophobicContact CB-CH2 4.39Å; P258-W327 HydrophobicContact CB-CZ2 4.02Å; P258-W327 HydrophobicContact CG-CH2 3.77Å; P258-W327 HydrophobicContact CG-CZ2 3.91Å; T273-W327 VanDerWaalsContact OG1-CD1 3.24Å; T273-W327 PolarHBondContact OG1-NE1 2.74Å; T273-W327 VanDerWaalsContact OG1-NE1 3.17Å; P287-W327 HydrophobicContact CB-CZ2 3.82Å; I288-W327 PolarHBondContact O-NE1 3.16Å; P290-W327 HydrophobicContact CB-CZ2 4.27Å; P290-W327 HydrophobicContact CG-CD2 4.25Å; P290-W327 HydrophobicContact CG-CH2 4.45Å; P290-W327 HydrophobicContact CG-CZ2 3.89Å; V322-W327 HydrophobicContact CG1-CH2 3.81Å; V322-W327 HydrophobicContact CG1-CZ2 4.24Å; V322-W327 HydrophobicContact CG1-CZ3 4.11Å; Y324-W327 HydrophobicContact CD1-CD2 4.4Å; Y324-W327 AromaticContact CD1-CE3 3.44Å; Y324-W327 HydrophobicContact CD1-CE3 3.44Å; Y324-W327 VanDerWaalsContact CD1-CE3 3.44Å; Y324-W327 AromaticContact CD1-CZ3 3.54Å; Y324-W327 HydrophobicContact CD1-CZ3 3.54Å; Y324-W327 AromaticContact CE1-CE3 3.97Å; Y324-W327 HydrophobicContact CE1-CE3 3.97Å; Y324-W327 HydrophobicContact CE1-CH2 4.45Å; Y324-W327 AromaticContact CE1-CZ3 3.56Å; Y324-W327 HydrophobicContact CE1-CZ3 3.56Å; Y324-W327 HydrophobicContact CG-CE3 4.42Å; Y324-W327 PolarHBondContact O-N 3.36Å; W327-S329 VanDerWaalsContact C-N 3.33Å; W327-S329 PolarHBondContact O-N 2.96Å; W327-I333 HydrophobicContact CB-CD1 4.22Å; W327-I333 HydrophobicContact CB-CG2 4.12Å; W327-I333 HydrophobicContact CG-CD1 4.11Å; W327-I333 WeakPolarHBondContact O-CB 3.45Å; W327-I333 WeakPolarHBondContact O-CG2 3.23Å; W327-Y346 HydrophobicContact CB-CD1 3.76Å; W327-Y346 HydrophobicContact CB-CE1 3.81Å; W327-Y346 HydrophobicContact CE3-CD1 4.17Å; W327-L349 HydrophobicContact CB-CD2 4.3Å; W327-L349 HydrophobicContact CD2-CD2 3.9Å; W327-L349 HydrophobicContact CE3-CB 4.38Å; W327-L349 HydrophobicContact CE3-CD2 3.69Å; W327-L349 HydrophobicContact CE3-CG 4.16Å; W327-L349 HydrophobicContact CG-CD2 4.2Å; W327-L349 HydrophobicContact CZ3-CB 4.3Å; W327-L349 HydrophobicContact CZ3-CD2 4.27Å; W327-L349 HydrophobicContact CZ3-CG 4.24Å; W327-E350 HydrophobicContact CH2-CB 4.13Å; W327-E350 HydrophobicContact CZ3-CB 4Å |
| 328 | R | 97.4 | Very high | 97.3 | Very high | 120 Ų | 120 | 52.1 Ų | 52.1 | 45% | 0.453 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -69.4 | -28.8 | -179.8 | -172.1 | 177.7 | -124.4 | 103.8 | 5.6 | 113.7 | Y324 H325 C326 I334 D344 Y346 | Y324-R328 WeakPolarHBondContact O-CB 3.43Å; Y324-R328 PolarHBondContact O-N 3.2Å; H325-R328 PolarHBondContact O-N 2.97Å; C326-R328 VanDerWaalsContact C-N 3.33Å; R328-I334 WeakPolarHBondContact O-CD1 3.4Å; R328-D344 PolarHBondContact NH2-O 3.2Å; R328-Y346 WeakPolarHBondContact CA-OH 3.26Å; R328-Y346 HydrophobicContact CB-CE1 4.34Å; R328-Y346 HydrophobicContact CB-CE2 4.08Å; R328-Y346 HydrophobicContact CG-CE2 4.06Å |
| 329 | S | 97.3 | Very high | 97.3 | Very high | 31 Ų | 31 | 57.9 Ų | 57.9 | 22% | 0.217 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -87.5 | -22.8 | 179.7 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | Y276 H325 C326 W327 P331 | Y276-S329 WeakPolarHBondContact CB-O 3.43Å; Y276-S329 PolarHBondContact N-OG 2.78Å; Y276-S329 WeakPolarHBondContact O-CB 3.49Å; H325-S329 WeakPolarHBondContact O-CB 3.39Å; H325-S329 PolarHBondContact O-N 2.86Å; H325-S329 PolarHBondContact O-OG 3.46Å; C326-S329 WeakPolarHBondContact CA-OG 3.32Å; C326-S329 PolarHBondContact O-N 3.23Å; C326-S329 PolarHBondContact O-OG 3.32Å; C326-S329 VanDerWaalsContact O-OG 3.13Å; W327-S329 VanDerWaalsContact C-N 3.33Å; W327-S329 PolarHBondContact O-N 2.96Å; S329-P331 WeakPolarHBondContact O-CD 3.24Å |
| 330 | N | 97.7 | Very high | 97.4 | Very high | 7 Ų | 7 | 61.5 Ų | 61.5 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | trans | -77.7 | 119.3 | -174 | -170.7 | -55.4 | 0 | 0 | 0 | 112.9 | T273 K274 Y276 C326 L332 I333 I334 | T273-N330 HydrophobicContact CG2-CB 4.11Å; K274-N330 PolarHBondContact O-ND2 2.87Å; Y276-N330 HydrophobicContact CD2-CB 4.22Å; Y276-N330 HydrophobicContact CE2-CB 4.29Å; C326-N330 VanDerWaalsContact O-CB 3.31Å; C326-N330 WeakPolarHBondContact O-CB 3.41Å; C326-N330 PolarHBondContact O-N 3.45Å; C326-N330 VanDerWaalsContact O-N 3.14Å; N330-L332 VanDerWaalsContact C-N 3.31Å; N330-L332 PolarHBondContact O-N 2.7Å; N330-L332 PolarHBondContact OD1-N 3.1Å; N330-L332 VanDerWaalsContact OD1-N 3.07Å; N330-I333 HydrophobicContact CB-CB 4.18Å; N330-I333 HydrophobicContact CB-CD1 4.05Å; N330-I333 HydrophobicContact CB-CG1 4.19Å; N330-I333 PolarHBondContact O-N 3.21Å; N330-I333 VanDerWaalsContact O-N 3.11Å; N330-I334 WeakPolarHBondContact O-CG1 3.27Å; N330-I334 PolarHBondContact O-N 3.19Å | ||
| 331 | P | 96.8 | Very high | 97.4 | Very high | 64 Ų | 64 | 69.3 Ų | 69.3 | 42% | 0.416 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.2 | -35.9 | -176.3 | -26.8 | 35.3 | 0 | 0 | 0 | 115 | Y276 S329 I334 E335 | Y276-P331 HydrophobicContact CD1-CG 4.45Å; Y276-P331 HydrophobicContact CE1-CG 4.27Å; S329-P331 WeakPolarHBondContact O-CD 3.24Å; P331-I334 PolarHBondContact O-N 3.29Å; P331-E335 PolarHBondContact O-N 2.93Å |
| 332 | L | 96.9 | Very high | 97.4 | Very high | 109 Ų | 109 | 65.5 Ų | 65.5 | 57% | 0.571 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -70.9 | -36.8 | -179.9 | -62.2 | 176.4 | 0 | 0 | 0 | 111.4 | I291 N330 E335 F336 | I291-L332 HydrophobicContact CD1-CB 3.96Å; N330-L332 VanDerWaalsContact C-N 3.31Å; N330-L332 PolarHBondContact O-N 2.7Å; N330-L332 PolarHBondContact OD1-N 3.1Å; N330-L332 VanDerWaalsContact OD1-N 3.07Å; L332-E335 PolarHBondContact O-N 3.27Å; L332-F336 WeakPolarHBondContact O-CB 3.31Å; L332-F336 PolarHBondContact O-N 2.68Å |
| 333 | I | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.1 | -42.3 | 175.5 | -65.9 | 175.7 | 0 | 0 | 0 | 110.1 | T273 I291 W327 N330 E335 F336 M337 Y346 L349 | T273-I333 HydrophobicContact CG2-CD1 3.51Å; I291-I333 HydrophobicContact CD1-CG1 3.87Å; I291-I333 HydrophobicContact CG1-CG1 4.04Å; I291-I333 HydrophobicContact CG2-CG1 4.46Å; W327-I333 HydrophobicContact CB-CD1 4.22Å; W327-I333 HydrophobicContact CB-CG2 4.12Å; W327-I333 HydrophobicContact CG-CD1 4.11Å; W327-I333 WeakPolarHBondContact O-CB 3.45Å; W327-I333 WeakPolarHBondContact O-CG2 3.23Å; N330-I333 HydrophobicContact CB-CB 4.18Å; N330-I333 HydrophobicContact CB-CD1 4.05Å; N330-I333 HydrophobicContact CB-CG1 4.19Å; N330-I333 PolarHBondContact O-N 3.21Å; N330-I333 VanDerWaalsContact O-N 3.11Å; I333-E335 VanDerWaalsContact C-N 3.26Å; I333-E335 PolarHBondContact O-N 3.39Å; I333-F336 WeakPolarHBondContact O-CB 3.43Å; I333-F336 PolarHBondContact O-N 2.73Å; I333-F336 VanDerWaalsContact O-N 3.12Å; I333-M337 HydrophobicContact CG2-CG 4.23Å; I333-M337 VanDerWaalsContact O-CG 3.26Å; I333-M337 WeakPolarHBondContact O-CG 3.28Å; I333-M337 PolarHBondContact O-N 2.97Å; I333-Y346 HydrophobicContact CG2-CE1 4.22Å; I333-L349 HydrophobicContact CG2-CD2 3.55Å |
| 334 | I | 97.5 | Very high | 97.2 | Very high | 59 Ų | 59 | 67 Ų | 67 | 30% | 0.303 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.8 | -42.4 | 174.1 | -64.9 | 167.3 | 0 | 0 | 0 | 110.9 | R328 N330 P331 M337 K338 | R328-I334 WeakPolarHBondContact O-CD1 3.4Å; N330-I334 WeakPolarHBondContact O-CG1 3.27Å; N330-I334 PolarHBondContact O-N 3.19Å; P331-I334 PolarHBondContact O-N 3.29Å; I334-M337 PolarHBondContact O-N 2.84Å; I334-K338 WeakPolarHBondContact O-CG 3.49Å; I334-K338 PolarHBondContact O-N 3.25Å |
| 335 | E | 97.8 | Very high | 97.2 | Very high | 108 Ų | 108 | 68.1 Ų | 68.1 | 51% | 0.505 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 175.5 | -168.9 | -178.2 | 169 | 0 | 0 | 111.7 | P331 L332 I333 M337 K338 Q339 | P331-E335 PolarHBondContact O-N 2.93Å; L332-E335 PolarHBondContact O-N 3.27Å; I333-E335 VanDerWaalsContact C-N 3.26Å; I333-E335 PolarHBondContact O-N 3.39Å; E335-M337 PolarHBondContact O-N 3.27Å; E335-K338 WeakPolarHBondContact O-CB 3.39Å; E335-K338 PolarHBondContact O-N 2.93Å; E335-K338 VanDerWaalsContact O-N 3.15Å; E335-Q339 WeakPolarHBondContact O-CG 3.46Å; E335-Q339 PolarHBondContact O-N 2.97Å; E335-Q339 PolarHBondContact OE1-NE2 2.84Å |
| 336 | F | 98.2 | Very high | 97.2 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 176.8 | -175.8 | -95.8 | 0 | 0 | 0 | 112.9 | I291 L332 I333 K338 Q339 M340 F342 L349 Y352 | I291-F336 HydrophobicContact CB-CB 4.49Å; I291-F336 HydrophobicContact CB-CD1 4.37Å; I291-F336 HydrophobicContact CB-CD2 4.16Å; I291-F336 HydrophobicContact CB-CE2 4.47Å; I291-F336 HydrophobicContact CB-CG 4.1Å; I291-F336 HydrophobicContact CD1-CB 4.12Å; I291-F336 HydrophobicContact CG2-CB 3.83Å; I291-F336 HydrophobicContact CG2-CD1 3.24Å; I291-F336 HydrophobicContact CG2-CD2 3.87Å; I291-F336 HydrophobicContact CG2-CE1 3.63Å; I291-F336 HydrophobicContact CG2-CE2 4.21Å; I291-F336 HydrophobicContact CG2-CG 3.36Å; I291-F336 HydrophobicContact CG2-CZ 4.1Å; L332-F336 WeakPolarHBondContact O-CB 3.31Å; L332-F336 PolarHBondContact O-N 2.68Å; I333-F336 WeakPolarHBondContact O-CB 3.43Å; I333-F336 PolarHBondContact O-N 2.73Å; I333-F336 VanDerWaalsContact O-N 3.12Å; F336-K338 PolarHBondContact O-N 3.25Å; F336-Q339 PolarHBondContact O-N 2.88Å; F336-Q339 VanDerWaalsContact O-N 3.13Å; F336-M340 HydrophobicContact CD1-CG 3.91Å; F336-M340 HydrophobicContact CD2-CG 4.33Å; F336-M340 HydrophobicContact CE1-CB 4.45Å; F336-M340 HydrophobicContact CE1-CG 3.44Å; F336-M340 VanDerWaalsContact CE1-CG 3.44Å; F336-M340 HydrophobicContact CE2-CG 3.9Å; F336-M340 HydrophobicContact CE2-SD 4.33Å; F336-M340 HydrophobicContact CG-CG 4.34Å; F336-M340 HydrophobicContact CZ-CG 3.44Å; F336-M340 VanDerWaalsContact CZ-CG 3.44Å; F336-M340 HydrophobicContact CZ-SD 4.02Å; F336-M340 PolarHBondContact O-N 3.42Å; F336-F342 HydrophobicContact CE1-CE2 4.42Å; F336-L349 HydrophobicContact CD1-CD1 3.93Å; F336-L349 HydrophobicContact CE1-CD1 3.82Å; F336-Y352 HydrophobicContact CE1-CD1 4.28Å; F336-Y352 HydrophobicContact CE1-CE1 4.15Å; F336-Y352 HydrophobicContact CZ-CD1 4.32Å; F336-Y352 AromaticContact CZ-CE1 3.76Å; F336-Y352 HydrophobicContact CZ-CE1 3.76Å; F336-Y352 HydrophobicContact CZ-CE2 4.3Å; F336-Y352 AromaticContact CZ-CZ 3.75Å |
| 337 | M | 98.3 | Very high | 97.1 | Very high | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.02 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.6 | -37.7 | 175.6 | -69.8 | -63 | -78.9 | 0 | 0 | 111.8 | I333 I334 E335 K341 F342 G343 Y346 L349 | I333-M337 HydrophobicContact CG2-CG 4.23Å; I333-M337 VanDerWaalsContact O-CG 3.26Å; I333-M337 WeakPolarHBondContact O-CG 3.28Å; I333-M337 PolarHBondContact O-N 2.97Å; I334-M337 PolarHBondContact O-N 2.84Å; E335-M337 PolarHBondContact O-N 3.27Å; M337-K341 PolarHBondContact O-N 3.16Å; M337-F342 HydrophobicContact CE-CB 3.57Å; M337-F342 HydrophobicContact CE-CD2 4.4Å; M337-F342 PolarHBondContact O-N 3.27Å; M337-F342 HydrophobicContact SD-CB 3.9Å; M337-F342 HydrophobicContact SD-CD2 3.8Å; M337-F342 HydrophobicContact SD-CG 4.38Å; M337-G343 WeakPolarHBondContact CE-O 3.43Å; M337-Y346 HydrophobicContact CE-CD1 4.06Å; M337-Y346 HydrophobicContact CE-CD2 4.36Å; M337-Y346 HydrophobicContact CE-CE1 4.15Å; M337-Y346 HydrophobicContact CE-CE2 4.43Å; M337-Y346 HydrophobicContact CE-CG 4.16Å; M337-Y346 HydrophobicContact CG-CE1 4.08Å; M337-Y346 HydrophobicContact SD-CD1 4.41Å; M337-Y346 HydrophobicContact SD-CE1 4.33Å; M337-L349 HydrophobicContact CE-CB 4.37Å; M337-L349 HydrophobicContact SD-CB 3.76Å; M337-L349 HydrophobicContact SD-CD1 4.1Å; M337-L349 HydrophobicContact SD-CD2 3.84Å; M337-L349 HydrophobicContact SD-CG 4.12Å |
| 338 | K | 97.9 | Very high | 97 | Very high | 156 Ų | 156 | 73.2 Ų | 73.2 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69 | -46 | 174.2 | -66.5 | 170.9 | -176.1 | 173.6 | 0 | 111.6 | I334 E335 F336 M340 K341 | I334-K338 WeakPolarHBondContact O-CG 3.49Å; I334-K338 PolarHBondContact O-N 3.25Å; E335-K338 WeakPolarHBondContact O-CB 3.39Å; E335-K338 PolarHBondContact O-N 2.93Å; E335-K338 VanDerWaalsContact O-N 3.15Å; F336-K338 PolarHBondContact O-N 3.25Å; K338-M340 VanDerWaalsContact C-N 3.33Å; K338-M340 PolarHBondContact O-N 3.25Å; K338-K341 PolarHBondContact O-N 2.88Å; K338-K341 VanDerWaalsContact O-N 3.12Å |
| 339 | Q | 97.6 | Very high | 97 | Very high | 122 Ų | 122 | 67.5 Ų | 67.5 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -59.1 | -44.2 | 179 | -68.7 | 173.1 | 1.6 | 0 | 0 | 111.6 | E335 F336 K341 | E335-Q339 WeakPolarHBondContact O-CG 3.46Å; E335-Q339 PolarHBondContact O-N 2.97Å; E335-Q339 PolarHBondContact OE1-NE2 2.84Å; F336-Q339 PolarHBondContact O-N 2.88Å; F336-Q339 VanDerWaalsContact O-N 3.13Å; Q339-K341 VanDerWaalsContact C-N 3.26Å; Q339-K341 PolarHBondContact O-N 3.37Å |
| 340 | M | 97.3 | Very high | 96.9 | Very high | 75 Ų | 75 | 66.1 Ų | 66.1 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -5.2 | 178.9 | -66.3 | -57.5 | -69.7 | 0 | 0 | 114.1 | F336 K338 F342 Y352 | F336-M340 HydrophobicContact CD1-CG 3.91Å; F336-M340 HydrophobicContact CD2-CG 4.33Å; F336-M340 HydrophobicContact CE1-CB 4.45Å; F336-M340 HydrophobicContact CE1-CG 3.44Å; F336-M340 VanDerWaalsContact CE1-CG 3.44Å; F336-M340 HydrophobicContact CE2-CG 3.9Å; F336-M340 HydrophobicContact CE2-SD 4.33Å; F336-M340 HydrophobicContact CG-CG 4.34Å; F336-M340 HydrophobicContact CZ-CG 3.44Å; F336-M340 VanDerWaalsContact CZ-CG 3.44Å; F336-M340 HydrophobicContact CZ-SD 4.02Å; F336-M340 PolarHBondContact O-N 3.42Å; K338-M340 VanDerWaalsContact C-N 3.33Å; K338-M340 PolarHBondContact O-N 3.25Å; M340-F342 HydrophobicContact CB-CD1 3.9Å; M340-F342 HydrophobicContact CB-CD2 3.77Å; M340-F342 HydrophobicContact CB-CE1 3.86Å; M340-F342 HydrophobicContact CB-CE2 3.72Å; M340-F342 HydrophobicContact CB-CG 3.86Å; M340-F342 HydrophobicContact CB-CZ 3.78Å; M340-F342 HydrophobicContact CE-CE1 4.3Å; M340-F342 HydrophobicContact CE-CE2 4.47Å; M340-F342 HydrophobicContact CE-CZ 3.81Å; M340-F342 HydrophobicContact CG-CE2 4.12Å; M340-F342 HydrophobicContact CG-CZ 4.25Å; M340-F342 WeakPolarHBondContact O-CD1 3.29Å; M340-F342 PolarHBondContact O-N 3.12Å; M340-Y352 HydrophobicContact CE-CD2 4.16Å; M340-Y352 HydrophobicContact CE-CE2 4.04Å |
| 341 | K | 97.2 | Very high | 96.7 | Very high | 176 Ų | 176 | 66.8 Ų | 66.8 | 77% | 0.765 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 38.1 | -175.7 | -54 | 177.7 | -179.1 | 177 | 0 | 112.4 | M337 K338 Q339 G343 R348 | M337-K341 PolarHBondContact O-N 3.16Å; K338-K341 PolarHBondContact O-N 2.88Å; K338-K341 VanDerWaalsContact O-N 3.12Å; Q339-K341 VanDerWaalsContact C-N 3.26Å; Q339-K341 PolarHBondContact O-N 3.37Å; K341-G343 VanDerWaalsContact C-N 3.33Å; K341-R348 PolarHBondContact O-NH1 2.96Å |
| 342 | F | 96.9 | Very high | 96.7 | Very high | 33 Ų | 33 | 66.8 Ų | 66.8 | 15% | 0.145 | 33% | 0.326 | C | S | . | . | trans | -79.5 | -17.6 | 176 | -68.4 | -16.6 | 0 | 0 | 0 | 112.8 | F336 M337 M340 R348 L349 Y352 | F336-F342 HydrophobicContact CE1-CE2 4.42Å; M337-F342 HydrophobicContact CE-CB 3.57Å; M337-F342 HydrophobicContact CE-CD2 4.4Å; M337-F342 PolarHBondContact O-N 3.27Å; M337-F342 HydrophobicContact SD-CB 3.9Å; M337-F342 HydrophobicContact SD-CD2 3.8Å; M337-F342 HydrophobicContact SD-CG 4.38Å; M340-F342 HydrophobicContact CB-CD1 3.9Å; M340-F342 HydrophobicContact CB-CD2 3.77Å; M340-F342 HydrophobicContact CB-CE1 3.86Å; M340-F342 HydrophobicContact CB-CE2 3.72Å; M340-F342 HydrophobicContact CB-CG 3.86Å; M340-F342 HydrophobicContact CB-CZ 3.78Å; M340-F342 HydrophobicContact CE-CE1 4.3Å; M340-F342 HydrophobicContact CE-CE2 4.47Å; M340-F342 HydrophobicContact CE-CZ 3.81Å; M340-F342 HydrophobicContact CG-CE2 4.12Å; M340-F342 HydrophobicContact CG-CZ 4.25Å; M340-F342 WeakPolarHBondContact O-CD1 3.29Å; M340-F342 PolarHBondContact O-N 3.12Å; F342-R348 HydrophobicContact CB-CB 4.13Å; F342-R348 HydrophobicContact CD1-CB 3.94Å; F342-R348 HydrophobicContact CD2-CB 4.12Å; F342-R348 HydrophobicContact CE1-CB 4.35Å; F342-R348 HydrophobicContact CG-CB 3.81Å; F342-L349 HydrophobicContact CE2-CD1 4.45Å; F342-Y352 HydrophobicContact CE2-CG 4.37Å; F342-Y352 HydrophobicContact CZ-CD2 4.35Å; F342-Y352 HydrophobicContact CZ-CG 4.49Å | ||
| 343 | G | 94.9 | Very high | 96.6 | Very high | 45 Ų | 45 | 61.6 Ų | 61.6 | 46% | 0.464 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | -142.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | M337 K341 D345 | M337-G343 WeakPolarHBondContact CE-O 3.43Å; K341-G343 VanDerWaalsContact C-N 3.33Å; G343-D345 VanDerWaalsContact C-N 3.34Å |
| 344 | D | 94.6 | Very high | 96.5 | Very high | 125 Ų | 125 | 61.6 Ų | 61.6 | 67% | 0.668 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 11.3 | 178.1 | -72.5 | -41.8 | 0 | 0 | 0 | 113.7 | R328 Y346 | R328-D344 PolarHBondContact NH2-O 3.2Å; D344-Y346 WeakPolarHBondContact O-CD2 3.46Å; D344-Y346 PolarHBondContact O-N 3Å |
| 345 | D | 96.1 | Very high | 96.4 | Very high | 64 Ų | 64 | 65.5 Ų | 65.5 | 34% | 0.342 | 31% | 0.314 | S | S | . | . | trans | -92.4 | 89.7 | -176.9 | -176 | 13.9 | 0 | 0 | 0 | 111.4 | G343 H347 R348 | G343-D345 VanDerWaalsContact C-N 3.34Å; D345-H347 PolarHBondContact O-N 3.38Å; D345-H347 WeakPolarHBondContact OD1-CB 3.32Å; D345-H347 IonicContact OD1-CE1 3.32Å; D345-H347 IonicContact OD1-CG 3.32Å; D345-H347 PolarHBondContact OD1-N 3.03Å; D345-H347 IonicContact OD1-ND1 3.62Å; D345-H347 PolarHBondContact OD1-ND1 3.2Å; D345-R348 HydrophobicContact CB-CG 4.39Å; D345-R348 WeakPolarHBondContact O-CB 2.95Å; D345-R348 PolarHBondContact O-N 3.26Å; D345-R348 VanDerWaalsContact O-N 3.15Å; D345-R348 WeakPolarHBondContact OD2-CG 3.4Å | ||
| 346 | Y | 96.8 | Very high | 96.3 | Very high | 9 Ų | 9 | 62.3 Ų | 62.3 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -14.1 | -177.8 | -72.5 | -94 | 0 | 0 | 0 | 113.7 | Y324 W327 R328 I333 M337 D344 R348 L349 E350 | Y324-Y346 HydrophobicContact CG-CG 4.31Å; W327-Y346 HydrophobicContact CB-CD1 3.76Å; W327-Y346 HydrophobicContact CB-CE1 3.81Å; W327-Y346 HydrophobicContact CE3-CD1 4.17Å; R328-Y346 WeakPolarHBondContact CA-OH 3.26Å; R328-Y346 HydrophobicContact CB-CE1 4.34Å; R328-Y346 HydrophobicContact CB-CE2 4.08Å; R328-Y346 HydrophobicContact CG-CE2 4.06Å; I333-Y346 HydrophobicContact CG2-CE1 4.22Å; M337-Y346 HydrophobicContact CE-CD1 4.06Å; M337-Y346 HydrophobicContact CE-CD2 4.36Å; M337-Y346 HydrophobicContact CE-CE1 4.15Å; M337-Y346 HydrophobicContact CE-CE2 4.43Å; M337-Y346 HydrophobicContact CE-CG 4.16Å; M337-Y346 HydrophobicContact CG-CE1 4.08Å; M337-Y346 HydrophobicContact SD-CD1 4.41Å; M337-Y346 HydrophobicContact SD-CE1 4.33Å; D344-Y346 WeakPolarHBondContact O-CD2 3.46Å; D344-Y346 PolarHBondContact O-N 3Å; Y346-R348 PolarHBondContact O-N 3.24Å; Y346-L349 HydrophobicContact CD1-CD2 3.98Å; Y346-L349 HydrophobicContact CE1-CD2 4.36Å; Y346-L349 WeakPolarHBondContact O-CA 3.2Å; Y346-L349 WeakPolarHBondContact O-CB 3.44Å; Y346-L349 PolarHBondContact O-N 3.34Å; Y346-E350 PolarHBondContact O-N 2.84Å |
| 347 | H | 95.9 | Very high | 96.2 | Very high | 74 Ų | 74 | 61 Ų | 61 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.6 | -32.2 | 168.3 | -53.4 | 101 | 0 | 0 | 0 | 111.4 | Y324 D345 L349 G351 N382 | Y324-H347 AromaticContact CE2-CD2 3.86Å; Y324-H347 AromaticContact CE2-NE2 3.82Å; Y324-H347 AromaticContact CZ-CD2 3.99Å; Y324-H347 PolarHBondContact OH-CD2 2.9Å; Y324-H347 VanDerWaalsContact OH-CD2 3.28Å; D345-H347 PolarHBondContact O-N 3.38Å; D345-H347 WeakPolarHBondContact OD1-CB 3.32Å; D345-H347 IonicContact OD1-CE1 3.32Å; D345-H347 IonicContact OD1-CG 3.32Å; D345-H347 PolarHBondContact OD1-N 3.03Å; D345-H347 IonicContact OD1-ND1 3.62Å; D345-H347 PolarHBondContact OD1-ND1 3.2Å; H347-L349 VanDerWaalsContact C-N 3.32Å; H347-G351 PolarHBondContact O-N 2.99Å; H347-N382 HydrophobicContact CB-CB 3.95Å; H347-N382 VanDerWaalsContact CD2-CG 3.48Å; H347-N382 PolarHBondContact CD2-OD1 3.13Å; H347-N382 VanDerWaalsContact CD2-OD1 3.3Å |
| 348 | R | 95.3 | Very high | 96.1 | Very high | 130 Ų | 130 | 61.4 Ų | 61.4 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.9 | -32.1 | 174.2 | -67.6 | 177.1 | 139.8 | -158.4 | -7 | 112.4 | K341 F342 D345 Y346 Y352 | K341-R348 PolarHBondContact O-NH1 2.96Å; F342-R348 HydrophobicContact CB-CB 4.13Å; F342-R348 HydrophobicContact CD1-CB 3.94Å; F342-R348 HydrophobicContact CD2-CB 4.12Å; F342-R348 HydrophobicContact CE1-CB 4.35Å; F342-R348 HydrophobicContact CG-CB 3.81Å; D345-R348 HydrophobicContact CB-CG 4.39Å; D345-R348 WeakPolarHBondContact O-CB 2.95Å; D345-R348 PolarHBondContact O-N 3.26Å; D345-R348 VanDerWaalsContact O-N 3.15Å; D345-R348 WeakPolarHBondContact OD2-CG 3.4Å; Y346-R348 PolarHBondContact O-N 3.24Å; R348-Y352 WeakPolarHBondContact O-CB 3.4Å; R348-Y352 PolarHBondContact O-N 3.45Å |
| 349 | L | 97 | Very high | 96 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -72.5 | -41.7 | 176.4 | -173.9 | 60.4 | 0 | 0 | 0 | 111.3 | P290 I291 W327 I333 F336 M337 F342 Y346 H347 Y352 Y353 | P290-L349 HydrophobicContact CB-CD1 4.15Å; P290-L349 HydrophobicContact CB-CG 4.14Å; P290-L349 HydrophobicContact CG-CD1 3.8Å; P290-L349 HydrophobicContact CG-CD2 3.62Å; P290-L349 HydrophobicContact CG-CG 3.59Å; I291-L349 HydrophobicContact CG2-CD1 4.26Å; W327-L349 HydrophobicContact CB-CD2 4.3Å; W327-L349 HydrophobicContact CD2-CD2 3.9Å; W327-L349 HydrophobicContact CE3-CB 4.38Å; W327-L349 HydrophobicContact CE3-CD2 3.69Å; W327-L349 HydrophobicContact CE3-CG 4.16Å; W327-L349 HydrophobicContact CG-CD2 4.2Å; W327-L349 HydrophobicContact CZ3-CB 4.3Å; W327-L349 HydrophobicContact CZ3-CD2 4.27Å; W327-L349 HydrophobicContact CZ3-CG 4.24Å; I333-L349 HydrophobicContact CG2-CD2 3.55Å; F336-L349 HydrophobicContact CD1-CD1 3.93Å; F336-L349 HydrophobicContact CE1-CD1 3.82Å; M337-L349 HydrophobicContact CE-CB 4.37Å; M337-L349 HydrophobicContact SD-CB 3.76Å; M337-L349 HydrophobicContact SD-CD1 4.1Å; M337-L349 HydrophobicContact SD-CD2 3.84Å; M337-L349 HydrophobicContact SD-CG 4.12Å; F342-L349 HydrophobicContact CE2-CD1 4.45Å; Y346-L349 HydrophobicContact CD1-CD2 3.98Å; Y346-L349 HydrophobicContact CE1-CD2 4.36Å; Y346-L349 WeakPolarHBondContact O-CA 3.2Å; Y346-L349 WeakPolarHBondContact O-CB 3.44Å; Y346-L349 PolarHBondContact O-N 3.34Å; H347-L349 VanDerWaalsContact C-N 3.32Å; L349-Y352 WeakPolarHBondContact O-CB 3.37Å; L349-Y352 PolarHBondContact O-N 3.12Å; L349-Y353 PolarHBondContact O-N 3.21Å |
| 350 | E | 96.4 | Very high | 96 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -47.7 | 170.9 | -176 | -168.5 | -150.7 | 0 | 0 | 111.1 | P258 V322 Y324 W327 Y346 Y352 Y353 I354 I379 N382 | P258-E350 HydrophobicContact CG-CG 4.43Å; V322-E350 HydrophobicContact CG2-CG 4.44Å; V322-E350 WeakPolarHBondContact CG2-OE1 3.05Å; Y324-E350 HydrophobicContact CE1-CB 4.34Å; Y324-E350 PolarHBondContact OH-OE2 2.82Å; Y324-E350 VanDerWaalsContact OH-OE2 3.08Å; W327-E350 HydrophobicContact CH2-CB 4.13Å; W327-E350 HydrophobicContact CZ3-CB 4Å; Y346-E350 PolarHBondContact O-N 2.84Å; E350-Y352 PolarHBondContact O-N 3.44Å; E350-Y353 WeakPolarHBondContact O-CA 3.48Å; E350-Y353 WeakPolarHBondContact O-CB 3.46Å; E350-Y353 PolarHBondContact O-N 3.37Å; E350-I354 HydrophobicContact CG-CG1 4.49Å; E350-I354 WeakPolarHBondContact O-CG1 3.37Å; E350-I354 PolarHBondContact O-N 2.88Å; E350-I379 HydrophobicContact CG-CD1 4.21Å; E350-N382 PolarHBondContact OE2-ND2 3.01Å |
| 351 | G | 94.1 | Very high | 95.9 | Very high | 20 Ų | 20 | 50.7 Ų | 50.7 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.3 | -32.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | H347 K355 | H347-G351 PolarHBondContact O-N 2.99Å; G351-K355 VanDerWaalsContact O-CB 3.27Å; G351-K355 WeakPolarHBondContact O-CB 3.29Å; G351-K355 PolarHBondContact O-N 3.37Å |
| 352 | Y | 95 | Very high | 95.8 | Very high | 64 Ų | 64 | 44.8 Ų | 44.8 | 25% | 0.251 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.4 | -47 | 171.4 | 174.2 | -94 | 0 | 0 | 0 | 111.7 | P290 Y296 F336 M340 F342 R348 L349 E350 K355 N356 | P290-Y352 WeakPolarHBondContact O-CE1 3.29Å; Y296-Y352 WeakPolarHBondContact OH-CE1 3.3Å; F336-Y352 HydrophobicContact CE1-CD1 4.28Å; F336-Y352 HydrophobicContact CE1-CE1 4.15Å; F336-Y352 HydrophobicContact CZ-CD1 4.32Å; F336-Y352 AromaticContact CZ-CE1 3.76Å; F336-Y352 HydrophobicContact CZ-CE1 3.76Å; F336-Y352 HydrophobicContact CZ-CE2 4.3Å; F336-Y352 AromaticContact CZ-CZ 3.75Å; M340-Y352 HydrophobicContact CE-CD2 4.16Å; M340-Y352 HydrophobicContact CE-CE2 4.04Å; F342-Y352 HydrophobicContact CE2-CG 4.37Å; F342-Y352 HydrophobicContact CZ-CD2 4.35Å; F342-Y352 HydrophobicContact CZ-CG 4.49Å; R348-Y352 WeakPolarHBondContact O-CB 3.4Å; R348-Y352 PolarHBondContact O-N 3.45Å; L349-Y352 WeakPolarHBondContact O-CB 3.37Å; L349-Y352 PolarHBondContact O-N 3.12Å; E350-Y352 PolarHBondContact O-N 3.44Å; Y352-K355 PolarHBondContact O-N 3.03Å; Y352-N356 WeakPolarHBondContact CE1-ND2 3.37Å; Y352-N356 PolarHBondContact O-N 3.35Å; Y352-N356 VanDerWaalsContact O-N 3.16Å; Y352-N356 PolarHBondContact O-ND2 2.93Å |
| 353 | Y | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.5 | -51.7 | 175.6 | 171.3 | -96.8 | 0 | 0 | 0 | 112.1 | T257 P258 I288 P290 Y296 L349 E350 K355 N356 L357 | T257-Y353 WeakPolarHBondContact CB-OH 3.4Å; T257-Y353 WeakPolarHBondContact OG1-CE1 3.29Å; T257-Y353 PolarHBondContact OG1-OH 3.43Å; P258-Y353 HydrophobicContact CB-CD1 3.79Å; P258-Y353 HydrophobicContact CB-CE1 3.73Å; P258-Y353 HydrophobicContact CB-CG 4.26Å; P258-Y353 HydrophobicContact CG-CD1 3.76Å; P258-Y353 HydrophobicContact CG-CE1 4.05Å; P258-Y353 HydrophobicContact CG-CG 4.39Å; I288-Y353 HydrophobicContact CB-CE2 4.36Å; I288-Y353 HydrophobicContact CG2-CD2 4.49Å; I288-Y353 HydrophobicContact CG2-CE2 3.76Å; P290-Y353 HydrophobicContact CB-CD2 4.39Å; Y296-Y353 AromaticContact CE1-CD2 3.8Å; Y296-Y353 HydrophobicContact CE1-CD2 3.8Å; Y296-Y353 HydrophobicContact CE1-CE2 4.14Å; L349-Y353 PolarHBondContact O-N 3.21Å; E350-Y353 WeakPolarHBondContact O-CA 3.48Å; E350-Y353 WeakPolarHBondContact O-CB 3.46Å; E350-Y353 PolarHBondContact O-N 3.37Å; Y353-K355 VanDerWaalsContact C-N 3.33Å; Y353-K355 PolarHBondContact O-N 3.22Å; Y353-N356 WeakPolarHBondContact O-CB 3.5Å; Y353-N356 PolarHBondContact O-N 2.91Å; Y353-N356 VanDerWaalsContact O-N 3.07Å; Y353-L357 HydrophobicContact CE1-CB 4.48Å; Y353-L357 HydrophobicContact CE1-CD2 4.01Å; Y353-L357 PolarHBondContact O-N 3.45Å |
| 354 | I | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.3 | -38.4 | -177.3 | -65.1 | -67.7 | 0 | 0 | 0 | 111.9 | E350 N356 L357 I358 I379 F384 | E350-I354 HydrophobicContact CG-CG1 4.49Å; E350-I354 WeakPolarHBondContact O-CG1 3.37Å; E350-I354 PolarHBondContact O-N 2.88Å; I354-N356 VanDerWaalsContact C-N 3.29Å; I354-N356 PolarHBondContact O-N 2.82Å; I354-L357 HydrophobicContact CD1-CD2 4.44Å; I354-L357 PolarHBondContact O-N 3.18Å; I354-I358 HydrophobicContact CG2-CD1 3.82Å; I354-I358 HydrophobicContact CG2-CG1 4.35Å; I354-I358 WeakPolarHBondContact O-CG1 3.43Å; I354-I358 PolarHBondContact O-N 3.34Å; I354-I379 HydrophobicContact CB-CG2 4.48Å; I354-I379 HydrophobicContact CD1-CD1 4.03Å; I354-I379 HydrophobicContact CD1-CG1 4.41Å; I354-I379 HydrophobicContact CG1-CD1 3.61Å; I354-I379 HydrophobicContact CG1-CG1 4.22Å; I354-I379 HydrophobicContact CG2-CG2 3.74Å; I354-F384 HydrophobicContact CG2-CD2 4.39Å; I354-F384 HydrophobicContact CG2-CE2 4.38Å |
| 355 | K | 94.5 | Very high | 96 | Very high | 141 Ų | 141 | 45.2 Ų | 45.2 | 61% | 0.613 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -58.4 | -43.9 | 173.5 | -177.7 | -176.1 | 175.7 | -172.9 | 0 | 111.4 | G351 Y352 Y353 Q359 | G351-K355 VanDerWaalsContact O-CB 3.27Å; G351-K355 WeakPolarHBondContact O-CB 3.29Å; G351-K355 PolarHBondContact O-N 3.37Å; Y352-K355 PolarHBondContact O-N 3.03Å; Y353-K355 VanDerWaalsContact C-N 3.33Å; Y353-K355 PolarHBondContact O-N 3.22Å; K355-Q359 PolarHBondContact O-N 2.94Å; K355-Q359 VanDerWaalsContact O-N 3.13Å |
| 356 | N | 95.8 | Very high | 96 | Very high | 41 Ų | 41 | 44 Ų | 44 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.4 | -38.9 | 177.9 | -67.9 | -26.6 | 0 | 0 | 0 | 111.8 | Y296 Y352 Y353 I354 Q359 I360 | Y296-N356 HydrophobicContact CD1-CB 4.1Å; Y296-N356 HydrophobicContact CE1-CB 3.41Å; Y296-N356 VanDerWaalsContact CE1-CB 3.41Å; Y296-N356 PolarHBondContact OH-ND2 3.13Å; Y352-N356 WeakPolarHBondContact CE1-ND2 3.37Å; Y352-N356 PolarHBondContact O-N 3.35Å; Y352-N356 VanDerWaalsContact O-N 3.16Å; Y352-N356 PolarHBondContact O-ND2 2.93Å; Y353-N356 WeakPolarHBondContact O-CB 3.5Å; Y353-N356 PolarHBondContact O-N 2.91Å; Y353-N356 VanDerWaalsContact O-N 3.07Å; I354-N356 VanDerWaalsContact C-N 3.29Å; I354-N356 PolarHBondContact O-N 2.82Å; N356-Q359 WeakPolarHBondContact O-CB 3.37Å; N356-Q359 PolarHBondContact O-N 3.11Å; N356-I360 VanDerWaalsContact O-CG1 3.3Å; N356-I360 WeakPolarHBondContact O-CG1 3.13Å; N356-I360 PolarHBondContact O-N 3.15Å |
| 357 | L | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.1 | -46.6 | 176.1 | 179.7 | 60.6 | 0 | 0 | 0 | 111.8 | T257 V299 Y303 L317 Y353 I354 Q359 I360 I361 | T257-L357 WeakPolarHBondContact OG1-CD2 3.35Å; V299-L357 HydrophobicContact CB-CD1 4.44Å; V299-L357 HydrophobicContact CG2-CD1 4.16Å; Y303-L357 HydrophobicContact CD2-CD1 4.17Å; Y303-L357 HydrophobicContact CE2-CD1 3.86Å; L317-L357 HydrophobicContact CB-CD2 4.07Å; L317-L357 HydrophobicContact CD1-CD2 4.14Å; L317-L357 HydrophobicContact CD1-CG 4.3Å; Y353-L357 HydrophobicContact CE1-CB 4.48Å; Y353-L357 HydrophobicContact CE1-CD2 4.01Å; Y353-L357 PolarHBondContact O-N 3.45Å; I354-L357 HydrophobicContact CD1-CD2 4.44Å; I354-L357 PolarHBondContact O-N 3.18Å; L357-Q359 VanDerWaalsContact C-N 3.29Å; L357-Q359 PolarHBondContact O-N 3.01Å; L357-I360 WeakPolarHBondContact O-CB 3.37Å; L357-I360 PolarHBondContact O-N 3.16Å; L357-I361 HydrophobicContact CD1-CD1 4.29Å; L357-I361 HydrophobicContact CG-CD1 4.07Å; L357-I361 WeakPolarHBondContact O-CG1 3.32Å; L357-I361 PolarHBondContact O-N 2.68Å |
| 358 | I | 95.8 | Very high | 95.7 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 176.2 | -70.1 | 170.1 | 0 | 0 | 0 | 111 | L317 I354 I361 S362 P373 F384 D387 | L317-I358 HydrophobicContact CD1-CG1 3.98Å; I354-I358 HydrophobicContact CG2-CD1 3.82Å; I354-I358 HydrophobicContact CG2-CG1 4.35Å; I354-I358 WeakPolarHBondContact O-CG1 3.43Å; I354-I358 PolarHBondContact O-N 3.34Å; I358-I361 PolarHBondContact O-N 3.46Å; I358-S362 PolarHBondContact O-N 3.1Å; I358-P373 HydrophobicContact CG1-CB 4.26Å; I358-P373 HydrophobicContact CG1-CG 4.37Å; I358-P373 HydrophobicContact CG2-CG 4.38Å; I358-F384 HydrophobicContact CD1-CE1 4.2Å; I358-F384 HydrophobicContact CD1-CE2 3.76Å; I358-F384 HydrophobicContact CD1-CZ 3.38Å; I358-D387 HydrophobicContact CG2-CB 4.29Å |
| 359 | Q | 95.4 | Very high | 95.7 | Very high | 101 Ų | 101 | 47 Ų | 47 | 47% | 0.472 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.1 | -46.2 | 174.4 | -173.9 | 61.8 | 57.1 | 0 | 0 | 111.5 | K355 N356 L357 I361 S362 D363 | K355-Q359 PolarHBondContact O-N 2.94Å; K355-Q359 VanDerWaalsContact O-N 3.13Å; N356-Q359 WeakPolarHBondContact O-CB 3.37Å; N356-Q359 PolarHBondContact O-N 3.11Å; L357-Q359 VanDerWaalsContact C-N 3.29Å; L357-Q359 PolarHBondContact O-N 3.01Å; Q359-I361 VanDerWaalsContact C-N 3.32Å; Q359-I361 PolarHBondContact O-N 3.22Å; Q359-S362 WeakPolarHBondContact O-CB 3.4Å; Q359-S362 PolarHBondContact O-N 3.32Å; Q359-S362 VanDerWaalsContact O-N 3.1Å; Q359-D363 PolarHBondContact NE2-OD1 3.21Å; Q359-D363 PolarHBondContact O-N 3.3Å |
| 360 | I | 96.9 | Very high | 95.5 | Very high | 22 Ų | 22 | 52.6 Ų | 52.6 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.6 | -46.8 | 176.6 | -75.1 | 165.9 | 0 | 0 | 0 | 111.1 | Y296 V299 S300 N356 L357 S362 D363 V364 | Y296-I360 HydrophobicContact CD1-CD1 3.63Å; Y296-I360 HydrophobicContact CG-CD1 4.22Å; V299-I360 HydrophobicContact CG2-CD1 4.12Å; S300-I360 VanDerWaalsContact CA-CG2 3.46Å; N356-I360 VanDerWaalsContact O-CG1 3.3Å; N356-I360 WeakPolarHBondContact O-CG1 3.13Å; N356-I360 PolarHBondContact O-N 3.15Å; L357-I360 WeakPolarHBondContact O-CB 3.37Å; L357-I360 PolarHBondContact O-N 3.16Å; I360-S362 VanDerWaalsContact C-N 3.3Å; I360-S362 PolarHBondContact O-N 3.3Å; I360-D363 PolarHBondContact O-N 3.19Å; I360-D363 VanDerWaalsContact O-N 3.11Å; I360-V364 HydrophobicContact CG2-CG2 4.45Å; I360-V364 VanDerWaalsContact O-CG2 3.31Å; I360-V364 WeakPolarHBondContact O-CG2 3.07Å; I360-V364 PolarHBondContact O-N 2.81Å |
| 361 | I | 96.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.6 | -45 | 176.5 | -75.3 | 165.4 | 0 | 0 | 0 | 110.8 | Y303 F307 L317 L357 I358 Q359 D363 K365 I371 | Y303-I361 HydrophobicContact CD1-CD1 4.37Å; Y303-I361 HydrophobicContact CD1-CG1 4.07Å; Y303-I361 HydrophobicContact CE1-CD1 4.15Å; Y303-I361 HydrophobicContact CE1-CG1 4.36Å; Y303-I361 HydrophobicContact CG-CG1 4.27Å; F307-I361 HydrophobicContact CZ-CB 4.34Å; F307-I361 HydrophobicContact CZ-CG1 4.26Å; F307-I361 HydrophobicContact CZ-CG2 3.94Å; L317-I361 HydrophobicContact CD1-CD1 3.37Å; L317-I361 HydrophobicContact CD2-CD1 3.35Å; L317-I361 HydrophobicContact CG-CD1 4Å; L357-I361 HydrophobicContact CD1-CD1 4.29Å; L357-I361 HydrophobicContact CG-CD1 4.07Å; L357-I361 WeakPolarHBondContact O-CG1 3.32Å; L357-I361 PolarHBondContact O-N 2.68Å; I358-I361 PolarHBondContact O-N 3.46Å; Q359-I361 VanDerWaalsContact C-N 3.32Å; Q359-I361 PolarHBondContact O-N 3.22Å; I361-D363 VanDerWaalsContact C-N 3.3Å; I361-D363 PolarHBondContact O-N 2.97Å; I361-K365 WeakPolarHBondContact O-CB 3.29Å; I361-K365 PolarHBondContact O-N 3.27Å; I361-K365 VanDerWaalsContact O-N 3.14Å; I361-I371 HydrophobicContact CG2-CB 4.23Å; I361-I371 HydrophobicContact CG2-CG2 3.64Å |
| 362 | S | 95.3 | Very high | 95.7 | Very high | 53 Ų | 53 | 52.8 Ų | 52.8 | 37% | 0.371 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 176.4 | -169.2 | 0 | 0 | 0 | 0 | 112.5 | I358 Q359 I360 K365 | I358-S362 PolarHBondContact O-N 3.1Å; Q359-S362 WeakPolarHBondContact O-CB 3.4Å; Q359-S362 PolarHBondContact O-N 3.32Å; Q359-S362 VanDerWaalsContact O-N 3.1Å; I360-S362 VanDerWaalsContact C-N 3.3Å; I360-S362 PolarHBondContact O-N 3.3Å; S362-K365 WeakPolarHBondContact O-CG 3.23Å |
| 363 | D | 96.2 | Very high | 95.8 | Very high | 109 Ų | 109 | 49.8 Ų | 49.8 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -77.4 | -35.7 | -176.6 | -66.1 | -18 | 0 | 0 | 0 | 113 | Q359 I360 I361 | Q359-D363 PolarHBondContact NE2-OD1 3.21Å; Q359-D363 PolarHBondContact O-N 3.3Å; I360-D363 PolarHBondContact O-N 3.19Å; I360-D363 VanDerWaalsContact O-N 3.11Å; I361-D363 VanDerWaalsContact C-N 3.3Å; I361-D363 PolarHBondContact O-N 2.97Å |
| 364 | V | 97.3 | Very high | 95.9 | Very high | 33 Ų | 33 | 49.8 Ų | 49.8 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -101.6 | -3.9 | -173.8 | -51.2 | 0 | 0 | 0 | 0 | 114.7 | S300 K304 F307 I360 | S300-V364 WeakPolarHBondContact OG-CG1 3.49Å; K304-V364 HydrophobicContact CB-CG2 4.45Å; F307-V364 HydrophobicContact CD2-CG2 4.17Å; F307-V364 HydrophobicContact CE2-CG2 3.65Å; I360-V364 HydrophobicContact CG2-CG2 4.45Å; I360-V364 VanDerWaalsContact O-CG2 3.31Å; I360-V364 WeakPolarHBondContact O-CG2 3.07Å; I360-V364 PolarHBondContact O-N 2.81Å |
| 365 | K | 96.2 | Very high | 96 | Very high | 69 Ų | 69 | 49.8 Ų | 49.8 | 30% | 0.3 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -59.9 | 144.2 | 176.9 | 68.2 | -173.6 | -179.2 | 171.1 | 0 | 112 | F307 I361 S362 R369 I371 | F307-K365 HydrophobicContact CD2-CB 4.37Å; F307-K365 HydrophobicContact CE2-CB 4.11Å; I361-K365 WeakPolarHBondContact O-CB 3.29Å; I361-K365 PolarHBondContact O-N 3.27Å; I361-K365 VanDerWaalsContact O-N 3.14Å; S362-K365 WeakPolarHBondContact O-CG 3.23Å; K365-R369 WeakPolarHBondContact CD-O 3.46Å; K365-I371 HydrophobicContact CB-CB 4.48Å; K365-I371 HydrophobicContact CB-CG1 3.55Å; K365-I371 HydrophobicContact CD-CB 4.35Å; K365-I371 HydrophobicContact CD-CG1 4.07Å; K365-I371 HydrophobicContact CG-CG1 4.43Å |
| 366 | P | 96 | Very high | 96.2 | Very high | 39 Ų | 39 | 43.2 Ų | 43.2 | 25% | 0.253 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 145.8 | 173.7 | -24.3 | 34.2 | 0 | 0 | 0 | 112.5 | F307 G368 R369 | F307-P366 HydrophobicContact CB-CG 3.87Å; P366-G368 PolarHBondContact O-N 3.23Å; P366-R369 PolarHBondContact O-N 2.61Å |
| 367 | T | 94.4 | Very high | 96.3 | Very high | 154 Ų | 154 | 41.3 Ų | 41.3 | 95% | 0.945 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 135.1 | 174.8 | -53.3 | 0 | 0 | 0 | 0 | 110.7 | R369 | T367-R369 VanDerWaalsContact C-N 3.31Å; T367-R369 PolarHBondContact O-N 2.92Å |
| 368 | G | 92.5 | Very high | 96.3 | Very high | 79 Ų | 79 | 42 Ų | 42 | 81% | 0.814 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -10.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | P366 | P366-G368 PolarHBondContact O-N 3.23Š|
| 369 | R | 94.4 | Very high | 96.3 | Very high | 43 Ų | 43 | 41.4 Ų | 41.4 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | trans | -93.3 | 132.1 | 173.5 | -70.4 | -177.1 | 66.9 | 179.7 | -4.4 | 112 | F307 F310 P311 D312 N313 K365 P366 T367 I371 | F307-R369 PolarHBondContact O-NH1 2.74Å; F310-R369 PolarHBondContact O-NH1 2.89Å; F310-R369 VanDerWaalsContact O-NH1 3.17Å; F310-R369 PolarHBondContact O-NH2 2.84Å; P311-R369 PolarHBondContact O-NH2 3.28Å; D312-R369 PolarHBondContact O-NH2 3.43Å; N313-R369 PolarHBondContact OD1-NE 3.08Å; K365-R369 WeakPolarHBondContact CD-O 3.46Å; P366-R369 PolarHBondContact O-N 2.61Å; T367-R369 VanDerWaalsContact C-N 3.31Å; T367-R369 PolarHBondContact O-N 2.92Å; R369-I371 HydrophobicContact CB-CD1 4.09Å | ||
| 370 | N | 94.2 | Very high | 96.3 | Very high | 117 Ų | 117 | 37 Ų | 37 | 63% | 0.626 | 22% | 0.222 | S | C | * | . | trans | -101 | 82.1 | 175.1 | -73 | -28.8 | 0 | 0 | 0 | 109.5 | T372 | N370-T372 PolarHBondContact O-N 3Š| ||
| 371 | I | 96.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 7% | 0.067 | 24% | 0.238 | C | C | . | . | trans | -66.3 | 128.1 | -179.5 | -54.6 | -57.6 | 0 | 0 | 0 | 110.5 | F307 N313 F315 I361 K365 R369 | F307-I371 HydrophobicContact CD1-CD1 4.05Å; F307-I371 HydrophobicContact CD1-CG1 4.36Å; F307-I371 HydrophobicContact CE1-CD1 4.06Å; F307-I371 HydrophobicContact CE1-CG1 4.01Å; F307-I371 HydrophobicContact CE1-CG2 3.95Å; F307-I371 HydrophobicContact CZ-CG1 4.27Å; F307-I371 HydrophobicContact CZ-CG2 4.25Å; N313-I371 CarbonylContact O-C 3.44Å; N313-I371 VanDerWaalsContact O-CA 3.28Å; N313-I371 WeakPolarHBondContact O-CA 3.43Å; F315-I371 HydrophobicContact CD2-CD1 4.4Å; F315-I371 HydrophobicContact CD2-CG2 3.93Å; F315-I371 HydrophobicContact CE2-CD1 4.05Å; I361-I371 HydrophobicContact CG2-CB 4.23Å; I361-I371 HydrophobicContact CG2-CG2 3.64Å; K365-I371 HydrophobicContact CB-CB 4.48Å; K365-I371 HydrophobicContact CB-CG1 3.55Å; K365-I371 HydrophobicContact CD-CB 4.35Å; K365-I371 HydrophobicContact CD-CG1 4.07Å; K365-I371 HydrophobicContact CG-CG1 4.43Å; R369-I371 HydrophobicContact CB-CD1 4.09Å | ||
| 372 | T | 97.5 | Very high | 96.1 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 8% | 0.08 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 113.5 | 173 | -69.4 | 0 | 0 | 0 | 0 | 108.6 | N313 W314 F315 N370 V374 V391 R413 | N313-T372 PolarHBondContact O-N 3.46Å; W314-T372 WeakPolarHBondContact CA-O 3.41Å; W314-T372 HydrophobicContact CD2-CG2 3.85Å; W314-T372 HydrophobicContact CE3-CG2 4.27Å; W314-T372 HydrophobicContact CG-CG2 4.15Å; W314-T372 HydrophobicContact CZ2-CG2 4.36Å; F315-T372 PolarHBondContact N-O 2.97Å; F315-T372 VanDerWaalsContact N-O 3.15Å; N370-T372 PolarHBondContact O-N 3Å; T372-V374 HydrophobicContact CG2-CG2 4.47Å; T372-V391 HydrophobicContact CG2-CB 4.43Å; T372-V391 HydrophobicContact CG2-CG2 3.56Å; T372-R413 PolarHBondContact OG1-NH2 3.32Å |
| 373 | P | 97.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.6 | 171.1 | 29.3 | -30.1 | 0 | 0 | 0 | 109.8 | L317 I358 A390 V391 | L317-P373 HydrophobicContact CD1-CB 3.58Å; L317-P373 HydrophobicContact CG-CB 4.17Å; I358-P373 HydrophobicContact CG1-CB 4.26Å; I358-P373 HydrophobicContact CG1-CG 4.37Å; I358-P373 HydrophobicContact CG2-CG 4.38Å; P373-A390 HydrophobicContact CG-CB 3.97Å; P373-A390 CarbonylContact O-C 3.51Å; P373-A390 VanDerWaalsContact O-CA 3.27Å; P373-A390 WeakPolarHBondContact O-CA 3.44Å; P373-V391 PolarHBondContact O-N 3.31Å |
| 374 | V | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.7 | 170.5 | -165.6 | 0 | 0 | 0 | 0 | 107.8 | M252 W314 F315 H316 L317 T372 V391 H393 L415 | M252-V374 HydrophobicContact SD-CG2 3.87Å; W314-V374 HydrophobicContact CB-CG2 4.25Å; W314-V374 HydrophobicContact CD2-CG2 4.31Å; W314-V374 HydrophobicContact CE3-CG2 3.61Å; W314-V374 HydrophobicContact CZ3-CG2 4.36Å; F315-V374 PolarHBondContact O-N 3.1Å; H316-V374 CarbonylContact C-O 3.39Å; H316-V374 WeakPolarHBondContact CA-O 3.37Å; H316-V374 HydrophobicContact CB-CB 4.37Å; H316-V374 WeakPolarHBondContact CD2-CG1 3.25Å; L317-V374 PolarHBondContact N-O 2.81Å; T372-V374 HydrophobicContact CG2-CG2 4.47Å; V374-V391 WeakPolarHBondContact CA-O 3.36Å; V374-V391 HydrophobicContact CG1-CB 4.17Å; V374-V391 HydrophobicContact CG1-CG1 4.23Å; V374-V391 HydrophobicContact CG2-CB 4.24Å; V374-H393 HydrophobicContact CG1-CB 4.05Å; V374-L415 HydrophobicContact CG1-CD2 4.46Å |
| 375 | V | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 149 | -178.4 | -69.6 | 0 | 0 | 0 | 0 | 110.1 | L317 I379 V391 I392 H393 | L317-V375 HydrophobicContact CB-CG1 4.07Å; L317-V375 HydrophobicContact CD1-CG1 4.28Å; L317-V375 HydrophobicContact CG-CG1 4.38Å; V375-I379 HydrophobicContact CB-CB 4.08Å; V375-I379 HydrophobicContact CB-CG1 3.89Å; V375-I379 HydrophobicContact CB-CG2 4.35Å; V375-I379 HydrophobicContact CG1-CG1 4.31Å; V375-I379 HydrophobicContact CG2-CB 3.95Å; V375-I379 HydrophobicContact CG2-CG1 4.33Å; V375-I379 HydrophobicContact CG2-CG2 4Å; V375-V391 PolarHBondContact N-O 3.39Å; V375-I392 HydrophobicContact CG2-CD1 3.59Å; V375-H393 PolarHBondContact O-N 3.23Å |
| 376 | W | 98.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 156.8 | 171.8 | -65.4 | 125.3 | 0 | 0 | 0 | 111.4 | L171 H200 E254 D256 H316 G318 D320 E378 I379 H393 W395 W460 | L171-W376 HydrophobicContact CD1-CH2 3.9Å; L171-W376 HydrophobicContact CD1-CZ2 4.07Å; H200-W376 AromaticContact CE1-CH2 3.84Å; H200-W376 AromaticContact CE1-CZ2 3.9Å; E254-W376 PolarHBondContact OE1-NE1 2.92Å; D256-W376 PolarHBondContact OD2-NE1 2.96Å; H316-W376 AromaticContact CE1-CD1 3.61Å; H316-W376 AromaticContact CE1-CD2 3.39Å; H316-W376 AromaticContact CE1-CE2 3.24Å; H316-W376 AromaticContact CE1-CG 3.6Å; H316-W376 AromaticContact CE1-CZ2 3.75Å; H316-W376 AromaticContact CE1-NE1 3.36Å; H316-W376 PolarHBondContact CE1-NE1 2.84Å; H316-W376 AromaticContact ND1-CE2 3.96Å; H316-W376 AromaticContact ND1-NE1 3.85Å; H316-W376 AromaticContact NE2-CD2 3.75Å; H316-W376 AromaticContact NE2-CE2 3.82Å; H316-W376 AromaticContact NE2-CE3 3.91Å; G318-W376 VanDerWaalsContact CA-CD1 3.49Å; G318-W376 PolarHBondContact O-N 3.1Å; D320-W376 HydrophobicContact CB-CB 3.85Å; D320-W376 HydrophobicContact CB-CG 3.85Å; D320-W376 VanDerWaalsContact CG-CD1 3.47Å; W376-E378 PolarHBondContact O-N 3.01Å; W376-E378 VanDerWaalsContact O-N 3.11Å; W376-I379 PolarHBondContact O-N 3.27Å; W376-H393 HydrophobicContact CE3-CB 3.74Å; W376-H393 AromaticContact CE3-CG 3.76Å; W376-H393 AromaticContact CE3-ND1 3.97Å; W376-H393 AromaticContact CH2-CE1 3.69Å; W376-H393 AromaticContact CH2-ND1 3.67Å; W376-H393 HydrophobicContact CZ3-CB 3.91Å; W376-H393 AromaticContact CZ3-CD2 3.67Å; W376-H393 AromaticContact CZ3-CE1 3.46Å; W376-H393 VanDerWaalsContact CZ3-CE1 3.46Å; W376-H393 WeakPolarHBondContact CZ3-CE1 3.35Å; W376-H393 AromaticContact CZ3-CG 3.36Å; W376-H393 AromaticContact CZ3-ND1 3.27Å; W376-H393 VanDerWaalsContact CZ3-ND1 3.27Å; W376-H393 WeakPolarHBondContact CZ3-ND1 3.37Å; W376-H393 AromaticContact CZ3-NE2 3.73Å; W376-W395 AromaticContact CD2-CD1 3.89Å; W376-W395 HydrophobicContact CD2-CG 4.49Å; W376-W395 HydrophobicContact CE3-CB 3.83Å; W376-W395 AromaticContact CE3-CD1 3.45Å; W376-W395 VanDerWaalsContact CE3-CD1 3.45Å; W376-W395 AromaticContact CE3-CG 3.86Å; W376-W395 HydrophobicContact CE3-CG 3.86Å; W376-W395 HydrophobicContact CZ3-CB 3.76Å; W376-W395 HydrophobicContact CZ3-CG 4.23Å; W376-W460 HydrophobicContact CH2-CZ2 4.07Å; W376-W460 AromaticContact CZ2-CH2 3.83Å; W376-W460 HydrophobicContact CZ2-CH2 3.83Å; W376-W460 AromaticContact CZ2-CZ2 3.77Å; W376-W460 HydrophobicContact CZ2-CZ2 3.77Å |
| 377 | Q | 97.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.5 | -28 | -171.9 | 59.9 | 177.4 | 81.5 | 0 | 0 | 114.8 | I379 F380 Q381 I392 H393 V394 V403 | Q377-I379 PolarHBondContact O-N 2.58Å; Q377-F380 WeakPolarHBondContact O-CB 2.8Å; Q377-F380 PolarHBondContact O-N 3.23Å; Q377-Q381 WeakPolarHBondContact O-CG 3.1Å; Q377-Q381 PolarHBondContact O-N 2.91Å; Q377-I392 HydrophobicContact CB-CG2 4.35Å; Q377-H393 PolarHBondContact N-O 2.86Å; Q377-V394 HydrophobicContact CB-CG2 4.38Å; Q377-V403 HydrophobicContact CB-CG1 4.23Å |
| 378 | E | 95.8 | Very high | 94.2 | Very high | 13 Ų | 13 | 39.1 Ų | 39.1 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -51.4 | -45.6 | 178 | -79.2 | 83.9 | 166.2 | 0 | 0 | 111.1 | G319 W376 F380 Q381 N382 W395 K396 | G319-E378 WeakPolarHBondContact O-CB 3.3Å; W376-E378 PolarHBondContact O-N 3.01Å; W376-E378 VanDerWaalsContact O-N 3.11Å; E378-F380 PolarHBondContact O-N 3.38Å; E378-Q381 CarbonylContact O-C 3.52Å; E378-Q381 WeakPolarHBondContact O-CA 3.02Å; E378-Q381 PolarHBondContact O-N 3.43Å; E378-N382 WeakPolarHBondContact O-CB 3.17Å; E378-N382 PolarHBondContact O-N 2.93Å; E378-N382 PolarHBondContact O-ND2 3.32Å; E378-N382 PolarHBondContact O-OD1 2.8Å; E378-W395 VanDerWaalsContact OE1-CZ2 3.27Å; E378-W395 WeakPolarHBondContact OE1-CZ2 3.42Å; E378-W395 PolarHBondContact OE1-NE1 2.89Å; E378-W395 PolarHBondContact OE2-NE1 2.7Å; E378-K396 WeakPolarHBondContact OE1-CE 3.36Å; E378-K396 IonicContact OE1-NZ 3.86Å; E378-K396 PolarHBondContact OE1-NZ 3.42Å |
| 379 | I | 95.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -54.2 | -45.1 | 179.8 | -62.1 | -39.7 | 0 | 0 | 0 | 111 | G319 E350 I354 V375 W376 Q377 F384 | G319-I379 VanDerWaalsContact O-CD1 3.23Å; G319-I379 WeakPolarHBondContact O-CD1 3.1Å; E350-I379 HydrophobicContact CG-CD1 4.21Å; I354-I379 HydrophobicContact CB-CG2 4.48Å; I354-I379 HydrophobicContact CD1-CD1 4.03Å; I354-I379 HydrophobicContact CD1-CG1 4.41Å; I354-I379 HydrophobicContact CG1-CD1 3.61Å; I354-I379 HydrophobicContact CG1-CG1 4.22Å; I354-I379 HydrophobicContact CG2-CG2 3.74Å; V375-I379 HydrophobicContact CB-CB 4.08Å; V375-I379 HydrophobicContact CB-CG1 3.89Å; V375-I379 HydrophobicContact CB-CG2 4.35Å; V375-I379 HydrophobicContact CG1-CG1 4.31Å; V375-I379 HydrophobicContact CG2-CB 3.95Å; V375-I379 HydrophobicContact CG2-CG1 4.33Å; V375-I379 HydrophobicContact CG2-CG2 4Å; W376-I379 PolarHBondContact O-N 3.27Å; Q377-I379 PolarHBondContact O-N 2.58Å; I379-F384 HydrophobicContact CG2-CB 3.58Å; I379-F384 HydrophobicContact CG2-CD1 4.05Å; I379-F384 HydrophobicContact CG2-CD2 4.26Å; I379-F384 HydrophobicContact CG2-CG 3.72Å; I379-F384 WeakPolarHBondContact O-CB 3.26Å; I379-F384 PolarHBondContact O-N 3.4Å; I379-F384 VanDerWaalsContact O-N 3.13Å |
| 380 | F | 96.1 | Very high | 94.3 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.035 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.6 | -42.9 | 175.4 | 178.5 | -91.2 | 0 | 0 | 0 | 112.7 | Q377 E378 N382 G383 R385 I392 N406 V407 T410 Y412 | Q377-F380 WeakPolarHBondContact O-CB 2.8Å; Q377-F380 PolarHBondContact O-N 3.23Å; E378-F380 PolarHBondContact O-N 3.38Å; F380-N382 VanDerWaalsContact C-N 3.26Å; F380-N382 PolarHBondContact O-N 2.8Å; F380-G383 PolarHBondContact O-N 3.4Å; F380-R385 VanDerWaalsContact CE2-CZ 3.46Å; F380-R385 PolarHBondContact O-NH1 3.13Å; F380-I392 HydrophobicContact CB-CD1 4.09Å; F380-I392 HydrophobicContact CB-CG1 4.17Å; F380-I392 HydrophobicContact CB-CG2 3.91Å; F380-I392 HydrophobicContact CD2-CG1 4.41Å; F380-N406 HydrophobicContact CE1-CB 4.14Å; F380-N406 WeakPolarHBondContact CZ-O 3.26Å; F380-V407 HydrophobicContact CB-CG2 4.39Å; F380-V407 HydrophobicContact CD1-CB 4.49Å; F380-V407 HydrophobicContact CD1-CG2 3.42Å; F380-V407 VanDerWaalsContact CD1-CG2 3.42Å; F380-V407 HydrophobicContact CD2-CG2 4.18Å; F380-V407 HydrophobicContact CE1-CB 4.32Å; F380-V407 HydrophobicContact CE1-CG2 3.6Å; F380-V407 HydrophobicContact CE2-CG2 4.34Å; F380-V407 HydrophobicContact CG-CG2 3.73Å; F380-V407 HydrophobicContact CZ-CB 4.34Å; F380-V407 HydrophobicContact CZ-CG2 4.07Å; F380-T410 HydrophobicContact CE2-CG2 4.14Å; F380-T410 WeakPolarHBondContact CE2-OG1 3.46Å; F380-T410 HydrophobicContact CZ-CG2 3.98Å; F380-Y412 AromaticContact CD2-CD2 3.85Å; F380-Y412 HydrophobicContact CD2-CD2 3.85Å; F380-Y412 AromaticContact CD2-CE2 3.96Å; F380-Y412 HydrophobicContact CD2-CE2 3.96Å; F380-Y412 AromaticContact CE2-CD2 3.75Å; F380-Y412 HydrophobicContact CE2-CD2 3.75Å; F380-Y412 AromaticContact CE2-CE2 3.93Å; F380-Y412 HydrophobicContact CE2-CE2 3.93Å |
| 381 | Q | 94.4 | Very high | 94.5 | Very high | 96 Ų | 96 | 29.6 Ų | 29.6 | 45% | 0.449 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -64.6 | -33.2 | -179.2 | -67.6 | -179.2 | -79.4 | 0 | 0 | 112 | Q377 E378 G383 | Q377-Q381 WeakPolarHBondContact O-CG 3.1Å; Q377-Q381 PolarHBondContact O-N 2.91Å; E378-Q381 CarbonylContact O-C 3.52Å; E378-Q381 WeakPolarHBondContact O-CA 3.02Å; E378-Q381 PolarHBondContact O-N 3.43Å; Q381-G383 PolarHBondContact O-N 3.02Å |
| 382 | N | 93.8 | Very high | 94.6 | Very high | 43 Ų | 43 | 29 Ų | 29 | 23% | 0.23 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 6.6 | 178.9 | -66.6 | -8.7 | 0 | 0 | 0 | 112.8 | H347 E350 E378 F380 | H347-N382 HydrophobicContact CB-CB 3.95Å; H347-N382 VanDerWaalsContact CD2-CG 3.48Å; H347-N382 PolarHBondContact CD2-OD1 3.13Å; H347-N382 VanDerWaalsContact CD2-OD1 3.3Å; E350-N382 PolarHBondContact OE2-ND2 3.01Å; E378-N382 WeakPolarHBondContact O-CB 3.17Å; E378-N382 PolarHBondContact O-N 2.93Å; E378-N382 PolarHBondContact O-ND2 3.32Å; E378-N382 PolarHBondContact O-OD1 2.8Å; F380-N382 VanDerWaalsContact C-N 3.26Å; F380-N382 PolarHBondContact O-N 2.8Å |
| 383 | G | 90.3 | Very high | 94.7 | Very high | 48 Ų | 48 | 28.3 Ų | 28.3 | 50% | 0.495 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | 7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F380 Q381 R385 | F380-G383 PolarHBondContact O-N 3.4Å; Q381-G383 PolarHBondContact O-N 3.02Å; G383-R385 PolarHBondContact O-N 2.68Å |
| 384 | F | 89.5 | Confident | 94.7 | Very high | 14 Ų | 14 | 28.2 Ų | 28.2 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | trans | -59.5 | 122.6 | 173.5 | -179.8 | -97.1 | 0 | 0 | 0 | 110.9 | I354 I358 I379 G386 A390 Y412 | I354-F384 HydrophobicContact CG2-CD2 4.39Å; I354-F384 HydrophobicContact CG2-CE2 4.38Å; I358-F384 HydrophobicContact CD1-CE1 4.2Å; I358-F384 HydrophobicContact CD1-CE2 3.76Å; I358-F384 HydrophobicContact CD1-CZ 3.38Å; I379-F384 HydrophobicContact CG2-CB 3.58Å; I379-F384 HydrophobicContact CG2-CD1 4.05Å; I379-F384 HydrophobicContact CG2-CD2 4.26Å; I379-F384 HydrophobicContact CG2-CG 3.72Å; I379-F384 WeakPolarHBondContact O-CB 3.26Å; I379-F384 PolarHBondContact O-N 3.4Å; I379-F384 VanDerWaalsContact O-N 3.13Å; F384-G386 VanDerWaalsContact CZ-CA 3.44Å; F384-A390 HydrophobicContact CE1-CB 4.48Å; F384-Y412 HydrophobicContact CE1-CE1 4.5Å | ||
| 385 | R | 90 | Very high | 94.7 | Very high | 127 Ų | 127 | 29.7 Ų | 29.7 | 48% | 0.479 | 16% | 0.16 | S | C | . | . | trans | -133.1 | 33.3 | 174.7 | -61.5 | -65.5 | 180 | -83.5 | -0 | 110.9 | F380 G383 Y412 | F380-R385 VanDerWaalsContact CE2-CZ 3.46Å; F380-R385 PolarHBondContact O-NH1 3.13Å; G383-R385 PolarHBondContact O-N 2.68Å; R385-Y412 VanDerWaalsContact CA-OH 3.29Å; R385-Y412 WeakPolarHBondContact CA-OH 3.38Å | ||
| 386 | G | 85.9 | Confident | 94.6 | Very high | 31 Ų | 31 | 32.8 Ų | 32.8 | 32% | 0.32 | 17% | 0.173 | S | C | . | . | trans | -76.2 | -144.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F384 K388 Y412 | F384-G386 VanDerWaalsContact CZ-CA 3.44Å; G386-K388 PolarHBondContact O-N 3.05Å; G386-Y412 PolarHBondContact N-OH 3.5Å; G386-Y412 VanDerWaalsContact N-OH 3.15Å; G386-Y412 PolarHBondContact O-OH 3.39Å | ||
| 387 | D | 88.1 | Confident | 94.1 | Very high | 78 Ų | 78 | 37.7 Ų | 37.7 | 42% | 0.417 | 20% | 0.2 | S | C | . | . | trans | -51.1 | 125.3 | -174.6 | -175.6 | 1.5 | 0 | 0 | 0 | 112.7 | I358 S389 A390 Y412 | I358-D387 HydrophobicContact CG2-CB 4.29Å; D387-S389 PolarHBondContact O-N 3.14Å; D387-S389 WeakPolarHBondContact OD1-CB 3.11Å; D387-S389 PolarHBondContact OD1-N 2.97Å; D387-S389 PolarHBondContact OD1-OG 2.93Å; D387-S389 WeakPolarHBondContact OD2-CB 3.47Å; D387-S389 PolarHBondContact OD2-OG 2.58Å; D387-A390 WeakPolarHBondContact O-CB 3.46Å; D387-A390 PolarHBondContact O-N 3.04Å; D387-Y412 WeakPolarHBondContact O-CE1 3.2Å | ||
| 388 | K | 93.2 | Very high | 93.8 | Very high | 91 Ų | 91 | 41.6 Ų | 41.6 | 40% | 0.396 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -9.2 | 179 | -66.9 | -71 | 167.2 | -171.4 | 0 | 113.8 | G386 A390 T410 Y412 | G386-K388 PolarHBondContact O-N 3.05Å; K388-A390 PolarHBondContact O-N 2.98Å; K388-T410 WeakPolarHBondContact CE-O 3.37Å; K388-T410 PolarHBondContact NZ-O 3.35Å; K388-Y412 HydrophobicContact CD-CD1 4.1Å; K388-Y412 HydrophobicContact CD-CE1 3.81Å; K388-Y412 HydrophobicContact CD-CE2 4.32Å; K388-Y412 HydrophobicContact CD-CG 4.46Å |
| 389 | S | 92.9 | Very high | 93.5 | Very high | 38 Ų | 38 | 47 Ų | 47 | 27% | 0.266 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.2 | 169.1 | 78 | 0 | 0 | 0 | 0 | 112.1 | D387 R413 | D387-S389 PolarHBondContact O-N 3.14Å; D387-S389 WeakPolarHBondContact OD1-CB 3.11Å; D387-S389 PolarHBondContact OD1-N 2.97Å; D387-S389 PolarHBondContact OD1-OG 2.93Å; D387-S389 WeakPolarHBondContact OD2-CB 3.47Å; D387-S389 PolarHBondContact OD2-OG 2.58Å; S389-R413 PolarHBondContact O-NH2 3.28Å |
| 390 | A | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -60.7 | 142.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P373 F384 D387 K388 Y412 | P373-A390 HydrophobicContact CG-CB 3.97Å; P373-A390 CarbonylContact O-C 3.51Å; P373-A390 VanDerWaalsContact O-CA 3.27Å; P373-A390 WeakPolarHBondContact O-CA 3.44Å; F384-A390 HydrophobicContact CE1-CB 4.48Å; D387-A390 WeakPolarHBondContact O-CB 3.46Å; D387-A390 PolarHBondContact O-N 3.04Å; K388-A390 PolarHBondContact O-N 2.98Å; A390-Y412 HydrophobicContact CB-CE1 4.37Å | ||
| 391 | V | 98.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129 | 172 | 178.4 | 0 | 0 | 0 | 0 | 107.8 | W314 T372 P373 V374 V375 R413 L415 V453 | W314-V391 HydrophobicContact CE3-CG2 4.39Å; W314-V391 HydrophobicContact CH2-CG2 3.79Å; W314-V391 HydrophobicContact CZ2-CG2 4.43Å; W314-V391 HydrophobicContact CZ3-CB 4.28Å; W314-V391 HydrophobicContact CZ3-CG1 4.12Å; W314-V391 HydrophobicContact CZ3-CG2 3.77Å; T372-V391 HydrophobicContact CG2-CB 4.43Å; T372-V391 HydrophobicContact CG2-CG2 3.56Å; P373-V391 PolarHBondContact O-N 3.31Å; V374-V391 WeakPolarHBondContact CA-O 3.36Å; V374-V391 HydrophobicContact CG1-CB 4.17Å; V374-V391 HydrophobicContact CG1-CG1 4.23Å; V374-V391 HydrophobicContact CG2-CB 4.24Å; V375-V391 PolarHBondContact N-O 3.39Å; V391-R413 WeakPolarHBondContact CA-O 3.38Å; V391-R413 HydrophobicContact CG2-CB 3.98Å; V391-L415 HydrophobicContact CG1-CB 3.9Å; V391-V453 HydrophobicContact CG1-CG2 4.27Å |
| 392 | I | 98.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128 | 176 | -49.9 | -53.6 | 0 | 0 | 0 | 108.2 | V375 Q377 F380 V407 Y412 R413 V414 L415 | V375-I392 HydrophobicContact CG2-CD1 3.59Å; Q377-I392 HydrophobicContact CB-CG2 4.35Å; F380-I392 HydrophobicContact CB-CD1 4.09Å; F380-I392 HydrophobicContact CB-CG1 4.17Å; F380-I392 HydrophobicContact CB-CG2 3.91Å; F380-I392 HydrophobicContact CD2-CG1 4.41Å; I392-V407 HydrophobicContact CB-CG1 3.76Å; I392-V407 HydrophobicContact CB-CG2 4.44Å; I392-V407 HydrophobicContact CG1-CG1 3.63Å; I392-V407 HydrophobicContact CG2-CG1 4.27Å; I392-V407 HydrophobicContact CG2-CG2 4.05Å; I392-Y412 HydrophobicContact CG1-CD2 4.5Å; I392-Y412 HydrophobicContact CG1-CG 4.14Å; I392-R413 PolarHBondContact N-O 3.28Å; I392-V414 CarbonylContact O-C 3.53Å; I392-V414 VanDerWaalsContact O-CA 3.28Å; I392-V414 WeakPolarHBondContact O-CA 3.2Å; I392-V414 VanDerWaalsContact O-CG1 3.32Å; I392-V414 WeakPolarHBondContact O-CG1 3.31Å; I392-L415 PolarHBondContact O-N 3.25Å |
| 393 | H | 98.8 | Very high | 94 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 111.4 | 179.7 | -161.6 | 166.1 | 0 | 0 | 0 | 110.2 | H200 H316 V374 V375 W376 Q377 L415 S417 E456 | H200-H393 AromaticContact ND1-CE1 3.97Å; H316-H393 AromaticContact CD2-ND1 3.83Å; H316-H393 AromaticContact NE2-ND1 3.59Å; V374-H393 HydrophobicContact CG1-CB 4.05Å; V375-H393 PolarHBondContact O-N 3.23Å; W376-H393 HydrophobicContact CE3-CB 3.74Å; W376-H393 AromaticContact CE3-CG 3.76Å; W376-H393 AromaticContact CE3-ND1 3.97Å; W376-H393 AromaticContact CH2-CE1 3.69Å; W376-H393 AromaticContact CH2-ND1 3.67Å; W376-H393 HydrophobicContact CZ3-CB 3.91Å; W376-H393 AromaticContact CZ3-CD2 3.67Å; W376-H393 AromaticContact CZ3-CE1 3.46Å; W376-H393 VanDerWaalsContact CZ3-CE1 3.46Å; W376-H393 WeakPolarHBondContact CZ3-CE1 3.35Å; W376-H393 AromaticContact CZ3-CG 3.36Å; W376-H393 AromaticContact CZ3-ND1 3.27Å; W376-H393 VanDerWaalsContact CZ3-ND1 3.27Å; W376-H393 WeakPolarHBondContact CZ3-ND1 3.37Å; W376-H393 AromaticContact CZ3-NE2 3.73Å; Q377-H393 PolarHBondContact N-O 2.86Å; H393-L415 CarbonylContact C-O 3.57Å; H393-L415 WeakPolarHBondContact CA-O 3.22Å; H393-L415 HydrophobicContact CB-CB 4.3Å; H393-L415 PolarHBondContact CD2-O 3.04Å; H393-L415 WeakPolarHBondContact ND1-CD2 3.35Å; H393-S417 WeakPolarHBondContact NE2-CB 3.34Å; H393-S417 PolarHBondContact NE2-OG 3.39Å; H393-E456 IonicContact CE1-OE2 3.62Å; H393-E456 PolarHBondContact CE1-OE2 3.05Å; H393-E456 VanDerWaalsContact CE1-OE2 3.23Å |
| 394 | V | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 117.5 | -177.7 | 179.9 | 0 | 0 | 0 | 0 | 110 | Q377 W400 V403 M404 V414 L415 S417 A418 | Q377-V394 HydrophobicContact CB-CG2 4.38Å; V394-W400 HydrophobicContact CG1-CB 4.1Å; V394-V403 HydrophobicContact CG1-CB 4.36Å; V394-V403 HydrophobicContact CG1-CG1 4.19Å; V394-V403 HydrophobicContact CG2-CG1 3.82Å; V394-M404 HydrophobicContact CB-SD 3.89Å; V394-M404 HydrophobicContact CG1-CG 4.41Å; V394-M404 HydrophobicContact CG1-SD 4.28Å; V394-M404 HydrophobicContact CG2-CG 4.47Å; V394-M404 HydrophobicContact CG2-SD 3.72Å; V394-V414 HydrophobicContact CB-CG1 4.49Å; V394-V414 HydrophobicContact CG2-CG1 3.67Å; V394-L415 PolarHBondContact N-O 3.33Å; V394-S417 PolarHBondContact O-N 2.95Å; V394-A418 HydrophobicContact CG1-CB 4.28Å; V394-A418 PolarHBondContact O-N 2.88Å; V394-A418 VanDerWaalsContact O-N 3.11Å |
| 395 | W | 97.7 | Very high | 94.8 | Very high | 31 Ų | 31 | 50.4 Ų | 50.4 | 12% | 0.117 | 26% | 0.262 | C | S | . | . | trans | -128.2 | -17.5 | -168.8 | 76.6 | -97.7 | 0 | 0 | 0 | 114.3 | D320 E321 W376 E378 A418 Y421 | D320-W395 HydrophobicContact CB-CZ2 4.26Å; E321-W395 HydrophobicContact CG-CH2 4.43Å; E321-W395 HydrophobicContact CG-CZ2 4.25Å; E321-W395 WeakPolarHBondContact OE1-CH2 3.35Å; W376-W395 AromaticContact CD2-CD1 3.89Å; W376-W395 HydrophobicContact CD2-CG 4.49Å; W376-W395 HydrophobicContact CE3-CB 3.83Å; W376-W395 AromaticContact CE3-CD1 3.45Å; W376-W395 VanDerWaalsContact CE3-CD1 3.45Å; W376-W395 AromaticContact CE3-CG 3.86Å; W376-W395 HydrophobicContact CE3-CG 3.86Å; W376-W395 HydrophobicContact CZ3-CB 3.76Å; W376-W395 HydrophobicContact CZ3-CG 4.23Å; E378-W395 VanDerWaalsContact OE1-CZ2 3.27Å; E378-W395 WeakPolarHBondContact OE1-CZ2 3.42Å; E378-W395 PolarHBondContact OE1-NE1 2.89Å; E378-W395 PolarHBondContact OE2-NE1 2.7Å; W395-A418 VanDerWaalsContact O-CA 3.3Å; W395-A418 WeakPolarHBondContact O-CA 3.34Å; W395-Y421 HydrophobicContact CB-CE2 4.3Å; W395-Y421 WeakPolarHBondContact CB-OH 3.05Å; W395-Y421 HydrophobicContact CE3-CE1 4.22Å; W395-Y421 AromaticContact CE3-CZ 3.76Å | ||
| 396 | K | 95.6 | Very high | 95.2 | Very high | 64 Ų | 64 | 48.1 Ų | 48.1 | 28% | 0.278 | 26% | 0.259 | S | S | . | . | trans | -84.2 | 122.7 | 176.8 | -62.7 | -174 | 178.1 | 174.6 | 0 | 110.5 | E378 S398 W400 A418 | E378-K396 WeakPolarHBondContact OE1-CE 3.36Å; E378-K396 IonicContact OE1-NZ 3.86Å; E378-K396 PolarHBondContact OE1-NZ 3.42Å; K396-S398 VanDerWaalsContact C-N 3.31Å; K396-S398 PolarHBondContact O-N 3.19Å; K396-W400 WeakPolarHBondContact O-CB 3.45Å; K396-A418 WeakPolarHBondContact O-CB 3.38Å | ||
| 397 | D | 89 | Confident | 95.7 | Very high | 106 Ų | 106 | 46.7 Ų | 46.7 | 57% | 0.567 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -62.6 | -38.3 | 178.2 | -170.4 | 26.4 | 0 | 0 | 0 | 112.1 | D399 W400 A418 | D397-D399 PolarHBondContact O-N 2.96Å; D397-W400 VanDerWaalsContact O-CD1 3.27Å; D397-W400 PolarHBondContact O-N 3.01Å; D397-A418 WeakPolarHBondContact CB-O 3.4Å |
| 398 | S | 90.5 | Very high | 96.2 | Very high | 84 Ų | 84 | 43 Ų | 43 | 59% | 0.587 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 123.7 | 176.3 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | K396 W400 | K396-S398 VanDerWaalsContact C-N 3.31Å; K396-S398 PolarHBondContact O-N 3.19Å; S398-W400 PolarHBondContact O-N 2.92Å; S398-W400 VanDerWaalsContact O-N 3.12Å |
| 399 | D | 90.6 | Very high | 96.4 | Very high | 127 Ų | 127 | 46.2 Ų | 46.2 | 68% | 0.679 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 19.7 | 175.1 | -60.2 | -42.7 | 0 | 0 | 0 | 115.7 | D397 K401 S402 V403 | D397-D399 PolarHBondContact O-N 2.96Å; D399-K401 PolarHBondContact O-N 3.07Å; D399-S402 WeakPolarHBondContact O-CA 3.39Å; D399-S402 WeakPolarHBondContact O-CB 3.49Å; D399-S402 PolarHBondContact O-N 3.29Å; D399-V403 PolarHBondContact O-N 3.22Å; D399-V403 VanDerWaalsContact O-N 3.12Å |
| 400 | W | 97 | Very high | 96.5 | Very high | 28 Ų | 28 | 46.8 Ų | 46.8 | 11% | 0.106 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -51.7 | -37.4 | -176.8 | 74.1 | -104.8 | 0 | 0 | 0 | 112.5 | V394 K396 D397 S398 S402 V403 M404 F416 A418 V437 F442 | V394-W400 HydrophobicContact CG1-CB 4.1Å; K396-W400 WeakPolarHBondContact O-CB 3.45Å; D397-W400 VanDerWaalsContact O-CD1 3.27Å; D397-W400 PolarHBondContact O-N 3.01Å; S398-W400 PolarHBondContact O-N 2.92Å; S398-W400 VanDerWaalsContact O-N 3.12Å; W400-S402 PolarHBondContact O-N 2.87Å; W400-V403 PolarHBondContact O-N 2.82Å; W400-M404 HydrophobicContact CE3-CG 3.62Å; W400-M404 HydrophobicContact CZ3-CG 4Å; W400-M404 WeakPolarHBondContact O-CB 3.37Å; W400-M404 WeakPolarHBondContact O-CG 3.49Å; W400-M404 PolarHBondContact O-N 3.5Å; W400-F416 HydrophobicContact CB-CE2 4.37Å; W400-F416 AromaticContact CD2-CE2 3.6Å; W400-F416 HydrophobicContact CD2-CE2 3.6Å; W400-F416 HydrophobicContact CD2-CZ 4.17Å; W400-F416 HydrophobicContact CE3-CD2 4.09Å; W400-F416 AromaticContact CE3-CE2 3.42Å; W400-F416 HydrophobicContact CE3-CE2 3.42Å; W400-F416 VanDerWaalsContact CE3-CE2 3.42Å; W400-F416 HydrophobicContact CE3-CZ 4.25Å; W400-F416 HydrophobicContact CG-CE2 4.03Å; W400-F416 HydrophobicContact CH2-CE2 4.43Å; W400-F416 HydrophobicContact CZ3-CD2 4.4Å; W400-F416 AromaticContact CZ3-CE2 3.86Å; W400-F416 HydrophobicContact CZ3-CE2 3.86Å; W400-F416 HydrophobicContact CZ3-CZ 4.47Å; W400-A418 HydrophobicContact CB-CB 3.74Å; W400-A418 HydrophobicContact CG-CB 4.23Å; W400-V437 HydrophobicContact CZ2-CG1 4.47Å; W400-F442 HydrophobicContact CZ3-CB 4.03Å |
| 401 | K | 97.9 | Very high | 96.5 | Very high | 88 Ų | 88 | 48.6 Ų | 48.6 | 38% | 0.383 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.3 | -42.8 | 176.9 | -66.3 | -167.3 | 177.4 | -149.5 | 0 | 112.4 | D399 K405 D441 F442 | D399-K401 PolarHBondContact O-N 3.07Å; K401-K405 WeakPolarHBondContact O-CB 3.31Å; K401-K405 PolarHBondContact O-N 3.32Å; K401-D441 WeakPolarHBondContact CD-O 3.45Å; K401-D441 WeakPolarHBondContact CE-O 3.32Å; K401-D441 PolarHBondContact NZ-O 3.2Å; K401-D441 IonicContact NZ-OD2 3.03Å; K401-D441 PolarHBondContact NZ-OD2 2.79Å; K401-F442 HydrophobicContact CB-CB 4.12Å; K401-F442 HydrophobicContact CG-CB 4.33Å |
| 402 | S | 97.6 | Very high | 96.5 | Very high | 62 Ų | 62 | 48.6 Ų | 48.6 | 43% | 0.434 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.9 | -42.9 | 177.5 | -174.5 | 0 | 0 | 0 | 0 | 111 | D399 W400 K405 N406 | D399-S402 WeakPolarHBondContact O-CA 3.39Å; D399-S402 WeakPolarHBondContact O-CB 3.49Å; D399-S402 PolarHBondContact O-N 3.29Å; W400-S402 PolarHBondContact O-N 2.87Å; S402-K405 PolarHBondContact O-N 2.91Å; S402-N406 WeakPolarHBondContact O-CB 3.33Å; S402-N406 VanDerWaalsContact O-CG 3.25Å; S402-N406 PolarHBondContact O-N 3.47Å; S402-N406 PolarHBondContact O-ND2 3.34Å |
| 403 | V | 97.7 | Very high | 96.5 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.055 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.6 | -52.8 | 177.5 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | Q377 V394 D399 W400 K405 N406 V407 | Q377-V403 HydrophobicContact CB-CG1 4.23Å; V394-V403 HydrophobicContact CG1-CB 4.36Å; V394-V403 HydrophobicContact CG1-CG1 4.19Å; V394-V403 HydrophobicContact CG2-CG1 3.82Å; D399-V403 PolarHBondContact O-N 3.22Å; D399-V403 VanDerWaalsContact O-N 3.12Å; W400-V403 PolarHBondContact O-N 2.82Å; V403-K405 VanDerWaalsContact C-N 3.28Å; V403-K405 PolarHBondContact O-N 3.03Å; V403-N406 PolarHBondContact O-N 3.04Å; V403-N406 VanDerWaalsContact O-N 3.1Å; V403-V407 HydrophobicContact CG1-CG2 4.09Å; V403-V407 VanDerWaalsContact O-CG2 3.23Å; V403-V407 WeakPolarHBondContact O-CG2 3.25Å; V403-V407 PolarHBondContact O-N 2.89Å |
| 404 | M | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -51.9 | -47.2 | 175.8 | -69.7 | -68.8 | -69.2 | 0 | 0 | 111.5 | V394 W400 V407 T408 V414 F416 P439 F442 V452 | V394-M404 HydrophobicContact CB-SD 3.89Å; V394-M404 HydrophobicContact CG1-CG 4.41Å; V394-M404 HydrophobicContact CG1-SD 4.28Å; V394-M404 HydrophobicContact CG2-CG 4.47Å; V394-M404 HydrophobicContact CG2-SD 3.72Å; W400-M404 HydrophobicContact CE3-CG 3.62Å; W400-M404 HydrophobicContact CZ3-CG 4Å; W400-M404 WeakPolarHBondContact O-CB 3.37Å; W400-M404 WeakPolarHBondContact O-CG 3.49Å; W400-M404 PolarHBondContact O-N 3.5Å; M404-V407 PolarHBondContact O-N 3.47Å; M404-T408 WeakPolarHBondContact O-CB 3.26Å; M404-T408 VanDerWaalsContact O-CG2 3.31Å; M404-T408 WeakPolarHBondContact O-CG2 3.37Å; M404-T408 PolarHBondContact O-N 3.34Å; M404-T408 PolarHBondContact O-OG1 2.93Å; M404-V414 HydrophobicContact CE-CB 4.15Å; M404-V414 HydrophobicContact CE-CG1 3.78Å; M404-V414 HydrophobicContact SD-CB 4.26Å; M404-V414 HydrophobicContact SD-CG1 3.28Å; M404-V414 WeakPolarHBondContact SD-CG1 3.32Å; M404-F416 HydrophobicContact SD-CD2 4.07Å; M404-P439 WeakPolarHBondContact CE-O 3.45Å; M404-F442 HydrophobicContact CB-CB 3.78Å; M404-F442 HydrophobicContact CB-CD1 4.04Å; M404-F442 HydrophobicContact CB-CD2 3.98Å; M404-F442 HydrophobicContact CB-CG 3.67Å; M404-F442 HydrophobicContact CE-CD1 4.27Å; M404-F442 HydrophobicContact CE-CE1 4.36Å; M404-F442 HydrophobicContact CG-CB 4.47Å; M404-V452 HydrophobicContact CE-CB 4.47Å; M404-V452 HydrophobicContact CE-CG1 4.16Å; M404-V452 HydrophobicContact CE-CG2 3.54Å |
| 405 | K | 98 | Very high | 96.5 | Very high | 94 Ų | 94 | 51.8 Ų | 51.8 | 41% | 0.409 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.7 | -45 | 178.4 | -173.5 | 169.2 | -179.1 | 156.6 | 0 | 112.4 | K401 S402 V403 T408 K409 F442 G443 | K401-K405 WeakPolarHBondContact O-CB 3.31Å; K401-K405 PolarHBondContact O-N 3.32Å; S402-K405 PolarHBondContact O-N 2.91Å; V403-K405 VanDerWaalsContact C-N 3.28Å; V403-K405 PolarHBondContact O-N 3.03Å; K405-T408 PolarHBondContact O-OG1 2.98Å; K405-K409 WeakPolarHBondContact O-CB 3.42Å; K405-K409 PolarHBondContact O-N 3.43Å; K405-F442 HydrophobicContact CB-CD2 3.91Å; K405-F442 HydrophobicContact CB-CE2 4.48Å; K405-G443 WeakPolarHBondContact CE-O 3.25Å; K405-G443 PolarHBondContact NZ-O 2.73Å |
| 406 | N | 97.5 | Very high | 96.6 | Very high | 80 Ų | 80 | 50.3 Ų | 50.3 | 43% | 0.428 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -68.3 | -40.5 | -179.2 | -72.3 | -27.6 | 0 | 0 | 0 | 111.8 | F380 S402 V403 T410 | F380-N406 HydrophobicContact CE1-CB 4.14Å; F380-N406 WeakPolarHBondContact CZ-O 3.26Å; S402-N406 WeakPolarHBondContact O-CB 3.33Å; S402-N406 VanDerWaalsContact O-CG 3.25Å; S402-N406 PolarHBondContact O-N 3.47Å; S402-N406 PolarHBondContact O-ND2 3.34Å; V403-N406 PolarHBondContact O-N 3.04Å; V403-N406 VanDerWaalsContact O-N 3.1Å; N406-T410 WeakPolarHBondContact O-CG2 3.37Å |
| 407 | V | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.2 | -56.2 | 177.6 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | F380 I392 V403 M404 K409 T410 Y412 V414 | F380-V407 HydrophobicContact CB-CG2 4.39Å; F380-V407 HydrophobicContact CD1-CB 4.49Å; F380-V407 HydrophobicContact CD1-CG2 3.42Å; F380-V407 VanDerWaalsContact CD1-CG2 3.42Å; F380-V407 HydrophobicContact CD2-CG2 4.18Å; F380-V407 HydrophobicContact CE1-CB 4.32Å; F380-V407 HydrophobicContact CE1-CG2 3.6Å; F380-V407 HydrophobicContact CE2-CG2 4.34Å; F380-V407 HydrophobicContact CG-CG2 3.73Å; F380-V407 HydrophobicContact CZ-CB 4.34Å; F380-V407 HydrophobicContact CZ-CG2 4.07Å; I392-V407 HydrophobicContact CB-CG1 3.76Å; I392-V407 HydrophobicContact CB-CG2 4.44Å; I392-V407 HydrophobicContact CG1-CG1 3.63Å; I392-V407 HydrophobicContact CG2-CG1 4.27Å; I392-V407 HydrophobicContact CG2-CG2 4.05Å; V403-V407 HydrophobicContact CG1-CG2 4.09Å; V403-V407 VanDerWaalsContact O-CG2 3.23Å; V403-V407 WeakPolarHBondContact O-CG2 3.25Å; V403-V407 PolarHBondContact O-N 2.89Å; M404-V407 PolarHBondContact O-N 3.47Å; V407-K409 VanDerWaalsContact C-N 3.34Å; V407-K409 PolarHBondContact O-N 3.33Å; V407-T410 PolarHBondContact O-N 3.08Å; V407-T410 PolarHBondContact O-OG1 3Å; V407-Y412 HydrophobicContact CG1-CG 4.49Å; V407-V414 HydrophobicContact CB-CG2 3.93Å; V407-V414 HydrophobicContact CG1-CG2 3.3Å |
| 408 | T | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.7 | -38.7 | -177.3 | 51.7 | 0 | 0 | 0 | 0 | 112.6 | M404 K405 T410 G411 V414 F442 L451 | M404-T408 WeakPolarHBondContact O-CB 3.26Å; M404-T408 VanDerWaalsContact O-CG2 3.31Å; M404-T408 WeakPolarHBondContact O-CG2 3.37Å; M404-T408 PolarHBondContact O-N 3.34Å; M404-T408 PolarHBondContact O-OG1 2.93Å; K405-T408 PolarHBondContact O-OG1 2.98Å; T408-T410 PolarHBondContact O-N 3.13Å; T408-T410 VanDerWaalsContact O-N 3.1Å; T408-G411 WeakPolarHBondContact O-CA 3.36Å; T408-G411 PolarHBondContact O-N 3.34Å; T408-V414 HydrophobicContact CG2-CB 4.45Å; T408-V414 HydrophobicContact CG2-CG2 3.58Å; T408-F442 HydrophobicContact CG2-CE2 4.32Å; T408-F442 HydrophobicContact CG2-CZ 3.96Å; T408-F442 WeakPolarHBondContact OG1-CE2 3.43Å; T408-L451 HydrophobicContact CG2-CB 3.93Å; T408-L451 HydrophobicContact CG2-CD1 4.5Å; T408-L451 WeakPolarHBondContact O-CD1 3.43Å |
| 409 | K | 96.7 | Very high | 97.4 | Very high | 159 Ų | 159 | 39.2 Ų | 39.2 | 69% | 0.691 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -58.6 | -26 | 175.4 | -177.2 | 177.1 | -179.7 | -175.7 | 0 | 113.4 | K405 V407 G411 | K405-K409 WeakPolarHBondContact O-CB 3.42Å; K405-K409 PolarHBondContact O-N 3.43Å; V407-K409 VanDerWaalsContact C-N 3.34Å; V407-K409 PolarHBondContact O-N 3.33Å; K409-G411 VanDerWaalsContact C-N 3.31Å |
| 410 | T | 96.6 | Very high | 97.7 | Very high | 49 Ų | 49 | 33.2 Ų | 33.2 | 30% | 0.301 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 0.5 | 175.1 | 68.9 | 0 | 0 | 0 | 0 | 113.3 | F380 K388 N406 V407 T408 Y412 | F380-T410 HydrophobicContact CE2-CG2 4.14Å; F380-T410 WeakPolarHBondContact CE2-OG1 3.46Å; F380-T410 HydrophobicContact CZ-CG2 3.98Å; K388-T410 WeakPolarHBondContact CE-O 3.37Å; K388-T410 PolarHBondContact NZ-O 3.35Å; N406-T410 WeakPolarHBondContact O-CG2 3.37Å; V407-T410 PolarHBondContact O-N 3.08Å; V407-T410 PolarHBondContact O-OG1 3Å; T408-T410 PolarHBondContact O-N 3.13Å; T408-T410 VanDerWaalsContact O-N 3.1Å; T410-Y412 WeakPolarHBondContact OG1-CD2 3.47Å |
| 411 | G | 96.6 | Very high | 97.8 | Very high | 39 Ų | 39 | 32.5 Ų | 32.5 | 40% | 0.402 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86 | 10.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T408 K409 | T408-G411 WeakPolarHBondContact O-CA 3.36Å; T408-G411 PolarHBondContact O-N 3.34Å; K409-G411 VanDerWaalsContact C-N 3.31Å |
| 412 | Y | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | -78.1 | 145 | 172.5 | -75.7 | -69.9 | 0 | 0 | 0 | 111.4 | F380 F384 R385 G386 D387 K388 A390 I392 V407 T410 | F380-Y412 AromaticContact CD2-CD2 3.85Å; F380-Y412 HydrophobicContact CD2-CD2 3.85Å; F380-Y412 AromaticContact CD2-CE2 3.96Å; F380-Y412 HydrophobicContact CD2-CE2 3.96Å; F380-Y412 AromaticContact CE2-CD2 3.75Å; F380-Y412 HydrophobicContact CE2-CD2 3.75Å; F380-Y412 AromaticContact CE2-CE2 3.93Å; F380-Y412 HydrophobicContact CE2-CE2 3.93Å; F384-Y412 HydrophobicContact CE1-CE1 4.5Å; R385-Y412 VanDerWaalsContact CA-OH 3.29Å; R385-Y412 WeakPolarHBondContact CA-OH 3.38Å; G386-Y412 PolarHBondContact N-OH 3.5Å; G386-Y412 VanDerWaalsContact N-OH 3.15Å; G386-Y412 PolarHBondContact O-OH 3.39Å; D387-Y412 WeakPolarHBondContact O-CE1 3.2Å; K388-Y412 HydrophobicContact CD-CD1 4.1Å; K388-Y412 HydrophobicContact CD-CE1 3.81Å; K388-Y412 HydrophobicContact CD-CE2 4.32Å; K388-Y412 HydrophobicContact CD-CG 4.46Å; A390-Y412 HydrophobicContact CB-CE1 4.37Å; I392-Y412 HydrophobicContact CG1-CD2 4.5Å; I392-Y412 HydrophobicContact CG1-CG 4.14Å; V407-Y412 HydrophobicContact CG1-CG 4.49Å; T410-Y412 WeakPolarHBondContact OG1-CD2 3.47Å | ||
| 413 | R | 98.3 | Very high | 97.6 | Very high | 66 Ų | 66 | 26.4 Ų | 26.4 | 25% | 0.249 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 148.5 | 164.6 | -67.5 | -178.4 | -61.3 | 150 | -3.2 | 109.7 | T372 S389 V391 I392 L451 V453 | T372-R413 PolarHBondContact OG1-NH2 3.32Å; S389-R413 PolarHBondContact O-NH2 3.28Å; V391-R413 WeakPolarHBondContact CA-O 3.38Å; V391-R413 HydrophobicContact CG2-CB 3.98Å; I392-R413 PolarHBondContact N-O 3.28Å; R413-L451 CarbonylContact C-O 3.33Å; R413-L451 VanDerWaalsContact CA-O 3.32Å; R413-L451 WeakPolarHBondContact CA-O 3.36Å; R413-L451 HydrophobicContact CG-CD2 4.38Å; R413-V453 HydrophobicContact CB-CG1 3.9Å; R413-V453 HydrophobicContact CG-CG1 4.06Å |
| 414 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 132.7 | -173.8 | -165.7 | 0 | 0 | 0 | 0 | 112 | I392 V394 M404 V407 T408 L451 V452 V453 | I392-V414 CarbonylContact O-C 3.53Å; I392-V414 VanDerWaalsContact O-CA 3.28Å; I392-V414 WeakPolarHBondContact O-CA 3.2Å; I392-V414 VanDerWaalsContact O-CG1 3.32Å; I392-V414 WeakPolarHBondContact O-CG1 3.31Å; V394-V414 HydrophobicContact CB-CG1 4.49Å; V394-V414 HydrophobicContact CG2-CG1 3.67Å; M404-V414 HydrophobicContact CE-CB 4.15Å; M404-V414 HydrophobicContact CE-CG1 3.78Å; M404-V414 HydrophobicContact SD-CB 4.26Å; M404-V414 HydrophobicContact SD-CG1 3.28Å; M404-V414 WeakPolarHBondContact SD-CG1 3.32Å; V407-V414 HydrophobicContact CB-CG2 3.93Å; V407-V414 HydrophobicContact CG1-CG2 3.3Å; T408-V414 HydrophobicContact CG2-CB 4.45Å; T408-V414 HydrophobicContact CG2-CG2 3.58Å; V414-L451 PolarHBondContact N-O 2.78Å; V414-V452 WeakPolarHBondContact O-CA 3.38Å; V414-V453 VanDerWaalsContact O-CG2 3.24Å; V414-V453 WeakPolarHBondContact O-CG2 3.4Å; V414-V453 PolarHBondContact O-N 2.89Å |
| 415 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 141.1 | 170.8 | -172.3 | 64 | 0 | 0 | 0 | 109 | H167 M252 V374 V391 I392 H393 V394 V453 G455 E456 | H167-L415 HydrophobicContact CB-CD1 4.32Å; H167-L415 WeakPolarHBondContact CD2-CD1 3.47Å; M252-L415 HydrophobicContact CE-CD2 4.43Å; V374-L415 HydrophobicContact CG1-CD2 4.46Å; V391-L415 HydrophobicContact CG1-CB 3.9Å; I392-L415 PolarHBondContact O-N 3.25Å; H393-L415 CarbonylContact C-O 3.57Å; H393-L415 WeakPolarHBondContact CA-O 3.22Å; H393-L415 HydrophobicContact CB-CB 4.3Å; H393-L415 PolarHBondContact CD2-O 3.04Å; H393-L415 WeakPolarHBondContact ND1-CD2 3.35Å; V394-L415 PolarHBondContact N-O 3.33Å; L415-V453 HydrophobicContact CB-CG2 4.37Å; L415-V453 HydrophobicContact CD1-CG2 4.28Å; L415-G455 VanDerWaalsContact CD1-CA 3.49Å; L415-E456 HydrophobicContact CD1-CG 4.08Å; L415-E456 HydrophobicContact CD2-CG 3.93Å; L415-E456 HydrophobicContact CG-CG 4.1Å |
| 416 | F | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129 | -172.2 | 177.7 | -94.1 | 0 | 0 | 0 | 113 | W400 M404 A418 A419 W420 V437 P439 G454 G455 E456 | W400-F416 HydrophobicContact CB-CE2 4.37Å; W400-F416 AromaticContact CD2-CE2 3.6Å; W400-F416 HydrophobicContact CD2-CE2 3.6Å; W400-F416 HydrophobicContact CD2-CZ 4.17Å; W400-F416 HydrophobicContact CE3-CD2 4.09Å; W400-F416 AromaticContact CE3-CE2 3.42Å; W400-F416 HydrophobicContact CE3-CE2 3.42Å; W400-F416 VanDerWaalsContact CE3-CE2 3.42Å; W400-F416 HydrophobicContact CE3-CZ 4.25Å; W400-F416 HydrophobicContact CG-CE2 4.03Å; W400-F416 HydrophobicContact CH2-CE2 4.43Å; W400-F416 HydrophobicContact CZ3-CD2 4.4Å; W400-F416 AromaticContact CZ3-CE2 3.86Å; W400-F416 HydrophobicContact CZ3-CE2 3.86Å; W400-F416 HydrophobicContact CZ3-CZ 4.47Å; M404-F416 HydrophobicContact SD-CD2 4.07Å; F416-A418 HydrophobicContact CD2-CB 4.31Å; F416-A418 HydrophobicContact CE2-CB 3.65Å; F416-A418 HydrophobicContact CZ-CB 4.02Å; F416-A419 HydrophobicContact CE1-CB 4.05Å; F416-A419 HydrophobicContact CZ-CB 3.75Å; F416-W420 HydrophobicContact CD1-CD2 4.11Å; F416-W420 AromaticContact CD1-CE3 3.76Å; F416-W420 HydrophobicContact CD1-CE3 3.76Å; F416-W420 HydrophobicContact CD1-CH2 4.02Å; F416-W420 HydrophobicContact CD1-CZ2 4.33Å; F416-W420 AromaticContact CD1-CZ3 3.72Å; F416-W420 HydrophobicContact CD1-CZ3 3.72Å; F416-W420 AromaticContact CE1-CD2 3.99Å; F416-W420 HydrophobicContact CE1-CD2 3.99Å; F416-W420 HydrophobicContact CE1-CE3 4.13Å; F416-W420 HydrophobicContact CE1-CH2 4.44Å; F416-W420 HydrophobicContact CE1-CZ2 4.3Å; F416-W420 HydrophobicContact CE1-CZ3 4.36Å; F416-V437 HydrophobicContact CE1-CG1 3.7Å; F416-V437 HydrophobicContact CZ-CG1 3.83Å; F416-P439 HydrophobicContact CB-CB 3.72Å; F416-P439 HydrophobicContact CD1-CB 3.7Å; F416-P439 HydrophobicContact CD2-CB 4.26Å; F416-P439 HydrophobicContact CE1-CB 4.38Å; F416-P439 HydrophobicContact CG-CB 3.62Å; F416-G454 PolarHBondContact N-O 3.19Å; F416-G455 CarbonylContact O-C 3.49Å; F416-G455 WeakPolarHBondContact O-CA 3.31Å; F416-E456 PolarHBondContact O-N 2.93Å |
| 417 | S | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.007 | 22% | 0.216 | C | C | . | . | trans | -136.2 | -4.7 | 169.6 | -68.4 | 0 | 0 | 0 | 0 | 113.9 | H393 V394 A419 W420 Y421 E456 | H393-S417 WeakPolarHBondContact NE2-CB 3.34Å; H393-S417 PolarHBondContact NE2-OG 3.39Å; V394-S417 PolarHBondContact O-N 2.95Å; S417-A419 PolarHBondContact O-N 2.73Å; S417-W420 PolarHBondContact O-N 3.25Å; S417-Y421 WeakPolarHBondContact O-CD2 3.44Å; S417-E456 WeakPolarHBondContact CA-O 3.1Å; S417-E456 WeakPolarHBondContact CB-O 3.28Å; S417-E456 WeakPolarHBondContact OG-CB 3.15Å; S417-E456 PolarHBondContact OG-O 2.95Å | ||
| 418 | A | 97.9 | Very high | 96 | Very high | 5 Ų | 5 | 47 Ų | 47 | 4% | 0.041 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -30.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | V394 W395 K396 D397 W400 F416 | V394-A418 HydrophobicContact CG1-CB 4.28Å; V394-A418 PolarHBondContact O-N 2.88Å; V394-A418 VanDerWaalsContact O-N 3.11Å; W395-A418 VanDerWaalsContact O-CA 3.3Å; W395-A418 WeakPolarHBondContact O-CA 3.34Å; K396-A418 WeakPolarHBondContact O-CB 3.38Å; D397-A418 WeakPolarHBondContact CB-O 3.4Å; W400-A418 HydrophobicContact CB-CB 3.74Å; W400-A418 HydrophobicContact CG-CB 4.23Å; F416-A418 HydrophobicContact CD2-CB 4.31Å; F416-A418 HydrophobicContact CE2-CB 3.65Å; F416-A418 HydrophobicContact CZ-CB 4.02Å |
| 419 | A | 96.2 | Very high | 95.6 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 13% | 0.132 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F416 S417 Y434 V437 | F416-A419 HydrophobicContact CE1-CB 4.05Å; F416-A419 HydrophobicContact CZ-CB 3.75Å; S417-A419 PolarHBondContact O-N 2.73Å; A419-Y434 WeakPolarHBondContact O-CD1 3.42Å; A419-V437 HydrophobicContact CB-CB 4.29Å; A419-V437 HydrophobicContact CB-CG1 4.02Å; A419-V437 HydrophobicContact CB-CG2 3.58Å |
| 420 | W | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -125.1 | 39.4 | -169 | -63.7 | -27.5 | 0 | 0 | 0 | 112.7 | F416 S417 L422 Y434 V437 P439 A457 A458 V480 R483 L484 | F416-W420 HydrophobicContact CD1-CD2 4.11Å; F416-W420 AromaticContact CD1-CE3 3.76Å; F416-W420 HydrophobicContact CD1-CE3 3.76Å; F416-W420 HydrophobicContact CD1-CH2 4.02Å; F416-W420 HydrophobicContact CD1-CZ2 4.33Å; F416-W420 AromaticContact CD1-CZ3 3.72Å; F416-W420 HydrophobicContact CD1-CZ3 3.72Å; F416-W420 AromaticContact CE1-CD2 3.99Å; F416-W420 HydrophobicContact CE1-CD2 3.99Å; F416-W420 HydrophobicContact CE1-CE3 4.13Å; F416-W420 HydrophobicContact CE1-CH2 4.44Å; F416-W420 HydrophobicContact CE1-CZ2 4.3Å; F416-W420 HydrophobicContact CE1-CZ3 4.36Å; S417-W420 PolarHBondContact O-N 3.25Å; W420-L422 WeakPolarHBondContact O-CD1 3.48Å; W420-Y434 PolarHBondContact NE1-O 3.35Å; W420-V437 HydrophobicContact CZ2-CG1 4.43Å; W420-P439 HydrophobicContact CH2-CG 4.07Å; W420-A457 CarbonylContact O-C 3.57Å; W420-A457 WeakPolarHBondContact O-CA 3.05Å; W420-A458 PolarHBondContact O-N 2.84Å; W420-V480 HydrophobicContact CB-CG1 4.42Å; W420-V480 HydrophobicContact CB-CG2 3.94Å; W420-V480 HydrophobicContact CD2-CB 4.37Å; W420-V480 HydrophobicContact CD2-CG1 3.54Å; W420-V480 HydrophobicContact CD2-CG2 4.05Å; W420-V480 HydrophobicContact CE3-CG1 3.5Å; W420-V480 VanDerWaalsContact CE3-CG1 3.5Å; W420-V480 HydrophobicContact CG-CB 4.44Å; W420-V480 HydrophobicContact CG-CG1 3.97Å; W420-V480 HydrophobicContact CG-CG2 3.64Å; W420-V480 HydrophobicContact CH2-CG1 4.31Å; W420-V480 HydrophobicContact CZ2-CG1 4.36Å; W420-V480 HydrophobicContact CZ3-CG1 3.89Å; W420-R483 HydrophobicContact CZ2-CB 4.13Å; W420-L484 HydrophobicContact CH2-CD1 4.36Å; W420-L484 HydrophobicContact CH2-CD2 3.69Å; W420-L484 HydrophobicContact CH2-CG 3.88Å; W420-L484 HydrophobicContact CZ3-CD1 3.95Å; W420-L484 HydrophobicContact CZ3-CD2 3.78Å; W420-L484 HydrophobicContact CZ3-CG 3.96Å | ||
| 421 | Y | 97.6 | Very high | 95.3 | Very high | 13 Ų | 13 | 40.9 Ų | 40.9 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -87.4 | 107.1 | 172.4 | -83.9 | -131.8 | 0 | 0 | 0 | 109.4 | W395 S417 Y424 Y434 A458 W460 | W395-Y421 HydrophobicContact CB-CE2 4.3Å; W395-Y421 WeakPolarHBondContact CB-OH 3.05Å; W395-Y421 HydrophobicContact CE3-CE1 4.22Å; W395-Y421 AromaticContact CE3-CZ 3.76Å; S417-Y421 WeakPolarHBondContact O-CD2 3.44Å; Y421-Y424 VanDerWaalsContact CB-CD2 3.45Å; Y421-Y424 HydrophobicContact CD1-CD2 4.13Å; Y421-Y424 AromaticContact CD1-CE2 3.43Å; Y421-Y424 HydrophobicContact CD1-CE2 3.43Å; Y421-Y424 VanDerWaalsContact CD1-CE2 3.43Å; Y421-Y424 AromaticContact CD1-CZ 3.69Å; Y421-Y424 HydrophobicContact CE1-CE2 4.39Å; Y421-Y424 HydrophobicContact CG-CD2 4.18Å; Y421-Y424 AromaticContact CG-CE2 3.84Å; Y421-Y424 HydrophobicContact CG-CE2 3.84Å; Y421-Y434 PolarHBondContact O-OH 3.49Å; Y421-A458 HydrophobicContact CD2-CB 4.07Å; Y421-A458 HydrophobicContact CE2-CB 4.08Å; Y421-A458 HydrophobicContact CG-CB 4.47Å; Y421-W460 AromaticContact CD1-CD1 3.72Å; Y421-W460 AromaticContact CD1-NE1 3.95Å; Y421-W460 AromaticContact CE1-CD1 3.33Å; Y421-W460 AromaticContact CE1-NE1 3.14Å; Y421-W460 AromaticContact CZ-CD1 3.92Å; Y421-W460 AromaticContact CZ-NE1 3.26Å; Y421-W460 VanDerWaalsContact CZ-NE1 3.26Å; Y421-W460 PolarHBondContact OH-NE1 3.05Å; Y421-W460 VanDerWaalsContact OH-NE1 3.09Å |
| 422 | L | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -86.6 | -16.7 | -178.5 | -75.2 | 69.3 | 0 | 0 | 0 | 111.9 | F170 W420 Y424 Y434 A457 A458 I459 R476 | F170-L422 HydrophobicContact CE1-CD2 4.4Å; F170-L422 HydrophobicContact CE2-CD2 4.42Å; F170-L422 HydrophobicContact CZ-CD2 3.67Å; W420-L422 WeakPolarHBondContact O-CD1 3.48Å; L422-Y424 PolarHBondContact O-N 3.43Å; L422-Y434 HydrophobicContact CG-CE2 4.23Å; L422-A457 HydrophobicContact CD1-CB 3.76Å; L422-A458 PolarHBondContact N-O 3.45Å; L422-I459 HydrophobicContact CB-CD1 4.02Å; L422-R476 HydrophobicContact CD2-CB 4.24Å; L422-R476 PolarHBondContact O-NH1 3.23Å; L422-R476 PolarHBondContact O-NH2 3.05Å |
| 423 | N | 95.5 | Very high | 95.1 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 12% | 0.118 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -65.7 | -26.6 | 172.5 | 60.1 | -48.4 | 0 | 0 | 0 | 111.3 | I425 I459 W460 | N423-I425 PolarHBondContact O-N 3.44Å; N423-I425 VanDerWaalsContact O-N 3.09Å; N423-I459 HydrophobicContact CB-CD1 4.01Å; N423-W460 HydrophobicContact CB-CB 4.48Å |
| 424 | Y | 93.2 | Very high | 94.9 | Very high | 144 Ų | 144 | 45.2 Ų | 45.2 | 57% | 0.565 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -75.1 | 95.6 | 167.6 | -56.4 | -29.7 | 0 | 0 | 0 | 110 | Y421 L422 Y434 R476 | Y421-Y424 VanDerWaalsContact CB-CD2 3.45Å; Y421-Y424 HydrophobicContact CD1-CD2 4.13Å; Y421-Y424 AromaticContact CD1-CE2 3.43Å; Y421-Y424 HydrophobicContact CD1-CE2 3.43Å; Y421-Y424 VanDerWaalsContact CD1-CE2 3.43Å; Y421-Y424 AromaticContact CD1-CZ 3.69Å; Y421-Y424 HydrophobicContact CE1-CE2 4.39Å; Y421-Y424 HydrophobicContact CG-CD2 4.18Å; Y421-Y424 AromaticContact CG-CE2 3.84Å; Y421-Y424 HydrophobicContact CG-CE2 3.84Å; L422-Y424 PolarHBondContact O-N 3.43Å; Y424-Y434 PolarHBondContact O-OH 3.14Å; Y424-R476 PolarHBondContact O-NH2 3.08Å |
| 425 | I | 91.9 | Very high | 94.9 | Very high | 105 Ų | 105 | 45.5 Ų | 45.5 | 54% | 0.538 | 23% | 0.23 | S | C | . | . | trans | -86.3 | 134.6 | 175.1 | 59 | 176.1 | 0 | 0 | 0 | 110.1 | N423 R472 | N423-I425 PolarHBondContact O-N 3.44Å; N423-I425 VanDerWaalsContact O-N 3.09Å; I425-R472 HydrophobicContact CG2-CG 4.45Å | ||
| 426 | S | 91.2 | Very high | 94.8 | Very high | 68 Ų | 68 | 50.6 Ų | 50.6 | 48% | 0.476 | 25% | 0.253 | S | S | . | . | trans | -129 | 153 | 168.8 | 58.9 | 0 | 0 | 0 | 0 | 110.8 | G428 D430 | S426-G428 PolarHBondContact O-N 3.31Å; S426-D430 PolarHBondContact N-OD2 3.03Å; S426-D430 WeakPolarHBondContact OG-CB 3.41Å | ||
| 427 | Y | 89.6 | Confident | 94.6 | Very high | 243 Ų | 243 | 51.7 Ų | 51.7 | 95% | 0.953 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -65.4 | 130.4 | -176.9 | 178.7 | -98.5 | 0 | 0 | 0 | 110.9 | ||
| 428 | G | 89 | Confident | 94.5 | Very high | 55 Ų | 55 | 53.4 Ų | 53.4 | 57% | 0.567 | 27% | 0.269 | S | S | * | . | S | Bend | trans | 98.9 | -145.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S426 D430 | S426-G428 PolarHBondContact O-N 3.31Å; G428-D430 PolarHBondContact O-N 2.93Å |
| 429 | D | 89.5 | Confident | 94.5 | Very high | 68 Ų | 68 | 53.2 Ų | 53.2 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | trans | -100.7 | 53.8 | -165.9 | 57.8 | -1.7 | 0 | 0 | 0 | 113 | W431 R432 | D429-W431 PolarHBondContact O-N 3.41Å; D429-W431 VanDerWaalsContact O-N 3.08Å; D429-R432 VanDerWaalsContact CG-CZ 3.45Å; D429-R432 PolarHBondContact O-N 3.41Å; D429-R432 VanDerWaalsContact O-N 3.14Å; D429-R432 IonicContact OD2-CZ 3.27Å; D429-R432 IonicContact OD2-NE 2.95Å; D429-R432 PolarHBondContact OD2-NE 3.19Å; D429-R432 VanDerWaalsContact OD2-NE 3.11Å; D429-R432 IonicContact OD2-NH1 2.78Å; D429-R432 PolarHBondContact OD2-NH1 3.46Å; D429-R432 IonicContact OD2-NH2 2.74Å; D429-R432 PolarHBondContact OD2-NH2 2.95Å | ||
| 430 | D | 92.7 | Very high | 94.5 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.064 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.5 | -171.4 | 70.3 | -3.3 | 0 | 0 | 0 | 115.3 | S426 G428 R432 N433 R476 | S426-D430 PolarHBondContact N-OD2 3.03Å; S426-D430 WeakPolarHBondContact OG-CB 3.41Å; G428-D430 PolarHBondContact O-N 2.93Å; D430-R432 PolarHBondContact O-N 2.84Å; D430-N433 WeakPolarHBondContact O-CB 3.11Å; D430-N433 PolarHBondContact O-N 3.4Å; D430-R476 IonicContact OD1-CZ 3.34Å; D430-R476 IonicContact OD1-NE 3.8Å; D430-R476 PolarHBondContact OD1-NE 3.11Å; D430-R476 IonicContact OD1-NH2 2.69Å; D430-R476 IonicContact OD2-CZ 2.87Å; D430-R476 IonicContact OD2-NE 2.69Å; D430-R476 PolarHBondContact OD2-NE 3.05Å; D430-R476 IonicContact OD2-NH2 3.16Å; D430-R476 PolarHBondContact OD2-NH2 2.76Å |
| 431 | W | 95.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.9 | -24.8 | 174.3 | 70.1 | -95.9 | 0 | 0 | 0 | 113.3 | D429 N433 Y434 Y435 R476 A479 T492 F495 V496 I516 N517 | D429-W431 PolarHBondContact O-N 3.41Å; D429-W431 VanDerWaalsContact O-N 3.08Å; W431-N433 PolarHBondContact O-N 3.44Å; W431-Y434 HydrophobicContact CB-CD2 4.34Å; W431-Y434 WeakPolarHBondContact O-CB 3.03Å; W431-Y434 PolarHBondContact O-N 3.4Å; W431-Y434 VanDerWaalsContact O-N 3.16Å; W431-Y435 HydrophobicContact CE3-CG 4.34Å; W431-Y435 AromaticContact CZ3-CD1 3.74Å; W431-Y435 HydrophobicContact CZ3-CD1 3.74Å; W431-Y435 HydrophobicContact CZ3-CE1 4.47Å; W431-Y435 AromaticContact CZ3-CG 3.88Å; W431-Y435 HydrophobicContact CZ3-CG 3.88Å; W431-Y435 WeakPolarHBondContact O-CB 3.06Å; W431-Y435 PolarHBondContact O-N 2.85Å; W431-R476 HydrophobicContact CB-CB 4.5Å; W431-R476 HydrophobicContact CB-CG 4.4Å; W431-A479 HydrophobicContact CB-CB 4.27Å; W431-A479 HydrophobicContact CE3-CB 4.03Å; W431-T492 HydrophobicContact CH2-CG2 3.83Å; W431-F495 HydrophobicContact CD2-CE1 4.5Å; W431-F495 AromaticContact CE3-CD1 3.96Å; W431-F495 HydrophobicContact CE3-CD1 3.96Å; W431-F495 AromaticContact CE3-CE1 3.81Å; W431-F495 HydrophobicContact CE3-CE1 3.81Å; W431-F495 AromaticContact CH2-CD1 3.51Å; W431-F495 HydrophobicContact CH2-CD1 3.51Å; W431-F495 HydrophobicContact CH2-CE1 4.14Å; W431-F495 HydrophobicContact CZ2-CD1 4.32Å; W431-F495 AromaticContact CZ3-CD1 3.29Å; W431-F495 HydrophobicContact CZ3-CD1 3.29Å; W431-F495 AromaticContact CZ3-CE1 3.65Å; W431-F495 HydrophobicContact CZ3-CE1 3.65Å; W431-F495 HydrophobicContact CZ3-CG 4.42Å; W431-V496 HydrophobicContact CH2-CG2 4.01Å; W431-V496 HydrophobicContact CZ2-CG2 3.83Å; W431-I516 HydrophobicContact CB-CD1 4.44Å; W431-I516 HydrophobicContact CD2-CD1 4.28Å; W431-I516 HydrophobicContact CG-CD1 3.86Å; W431-I516 HydrophobicContact CG-CG1 4.03Å; W431-I516 VanDerWaalsContact NE1-CG1 3.29Å; W431-I516 PolarHBondContact NE1-O 3.47Å; W431-N517 VanDerWaalsContact CZ2-OD1 3.25Å; W431-N517 WeakPolarHBondContact CZ2-OD1 3.44Å; W431-N517 PolarHBondContact NE1-OD1 3.35Å |
| 432 | R | 95.6 | Very high | 94.3 | Very high | 66 Ų | 66 | 60.8 Ų | 60.8 | 25% | 0.249 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.8 | -36.9 | 175.9 | -74.5 | 171.9 | 169 | 63.8 | -14.9 | 111.7 | D429 D430 Y434 Y435 H436 T492 N517 | D429-R432 VanDerWaalsContact CG-CZ 3.45Å; D429-R432 PolarHBondContact O-N 3.41Å; D429-R432 VanDerWaalsContact O-N 3.14Å; D429-R432 IonicContact OD2-CZ 3.27Å; D429-R432 IonicContact OD2-NE 2.95Å; D429-R432 PolarHBondContact OD2-NE 3.19Å; D429-R432 VanDerWaalsContact OD2-NE 3.11Å; D429-R432 IonicContact OD2-NH1 2.78Å; D429-R432 PolarHBondContact OD2-NH1 3.46Å; D429-R432 IonicContact OD2-NH2 2.74Å; D429-R432 PolarHBondContact OD2-NH2 2.95Å; D430-R432 PolarHBondContact O-N 2.84Å; R432-Y434 VanDerWaalsContact C-N 3.34Å; R432-Y435 PolarHBondContact O-N 2.78Å; R432-H436 PolarHBondContact O-CD2 3.23Å; R432-H436 PolarHBondContact O-N 3.39Å; R432-H436 VanDerWaalsContact O-N 3.11Å; R432-T492 HydrophobicContact CG-CG2 4.34Å; R432-N517 PolarHBondContact NH1-OD1 3.16Å; R432-N517 VanDerWaalsContact NH1-OD1 3.08Å |
| 433 | N | 94 | Very high | 94.3 | Very high | 112 Ų | 112 | 63.2 Ų | 63.2 | 60% | 0.599 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 177 | -65.8 | -29.1 | 0 | 0 | 0 | 110.4 | D430 W431 Y435 H436 V437 | D430-N433 WeakPolarHBondContact O-CB 3.11Å; D430-N433 PolarHBondContact O-N 3.4Å; W431-N433 PolarHBondContact O-N 3.44Å; N433-Y435 VanDerWaalsContact C-N 3.33Å; N433-Y435 PolarHBondContact O-N 2.71Å; N433-H436 PolarHBondContact O-N 3.16Å; N433-V437 WeakPolarHBondContact O-CG2 3.35Å |
| 434 | Y | 95.8 | Very high | 94.3 | Very high | 18 Ų | 18 | 63.7 Ų | 63.7 | 7% | 0.071 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 177.6 | -47 | -33 | 0 | 0 | 0 | 111.8 | A419 W420 Y421 L422 Y424 W431 R432 H436 V437 R476 | A419-Y434 WeakPolarHBondContact O-CD1 3.42Å; W420-Y434 PolarHBondContact NE1-O 3.35Å; Y421-Y434 PolarHBondContact O-OH 3.49Å; L422-Y434 HydrophobicContact CG-CE2 4.23Å; Y424-Y434 PolarHBondContact O-OH 3.14Å; W431-Y434 HydrophobicContact CB-CD2 4.34Å; W431-Y434 WeakPolarHBondContact O-CB 3.03Å; W431-Y434 PolarHBondContact O-N 3.4Å; W431-Y434 VanDerWaalsContact O-N 3.16Å; R432-Y434 VanDerWaalsContact C-N 3.34Å; Y434-H436 VanDerWaalsContact C-N 3.34Å; Y434-H436 PolarHBondContact O-N 2.97Å; Y434-V437 PolarHBondContact O-N 3.01Å; Y434-R476 PolarHBondContact OH-NH2 3.08Å |
| 435 | Y | 97.4 | Very high | 94.5 | Very high | 6 Ų | 6 | 59.5 Ų | 59.5 | 2% | 0.024 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.3 | -28.7 | -177.8 | -172.3 | -127.3 | 0 | 0 | 0 | 113.6 | W431 R432 N433 V437 E482 R483 P490 N491 F495 | W431-Y435 HydrophobicContact CE3-CG 4.34Å; W431-Y435 AromaticContact CZ3-CD1 3.74Å; W431-Y435 HydrophobicContact CZ3-CD1 3.74Å; W431-Y435 HydrophobicContact CZ3-CE1 4.47Å; W431-Y435 AromaticContact CZ3-CG 3.88Å; W431-Y435 HydrophobicContact CZ3-CG 3.88Å; W431-Y435 WeakPolarHBondContact O-CB 3.06Å; W431-Y435 PolarHBondContact O-N 2.85Å; R432-Y435 PolarHBondContact O-N 2.78Å; N433-Y435 VanDerWaalsContact C-N 3.33Å; N433-Y435 PolarHBondContact O-N 2.71Å; Y435-V437 VanDerWaalsContact C-N 3.3Å; Y435-V437 PolarHBondContact O-N 3.41Å; Y435-E482 HydrophobicContact CD2-CG 4.43Å; Y435-E482 HydrophobicContact CE2-CB 4.29Å; Y435-E482 HydrophobicContact CE2-CG 3.61Å; Y435-R483 HydrophobicContact CD2-CG 4.01Å; Y435-R483 WeakPolarHBondContact O-CD 3.48Å; Y435-R483 WeakPolarHBondContact O-CG 3.41Å; Y435-R483 PolarHBondContact O-NE 3.01Å; Y435-P490 HydrophobicContact CD1-CB 3.76Å; Y435-P490 HydrophobicContact CD2-CB 4.36Å; Y435-P490 HydrophobicContact CE1-CB 3.49Å; Y435-P490 VanDerWaalsContact CE1-CB 3.49Å; Y435-P490 HydrophobicContact CE2-CB 4.04Å; Y435-P490 HydrophobicContact CG-CB 4.22Å; Y435-P490 WeakPolarHBondContact O-CB 3.26Å; Y435-N491 PolarHBondContact OH-N 3.08Å; Y435-N491 PolarHBondContact OH-O 2.04Å; Y435-F495 HydrophobicContact CE1-CB 3.99Å; Y435-F495 HydrophobicContact CE1-CG 4.35Å; Y435-F495 HydrophobicContact CE2-CD2 4.32Å; Y435-F495 HydrophobicContact CE2-CG 4.24Å; Y435-F495 AromaticContact CZ-CG 3.99Å |
| 436 | H | 96.4 | Very high | 94.7 | Very high | 107 Ų | 107 | 63.1 Ų | 63.1 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -4.9 | -179.2 | -77.7 | -65 | 0 | 0 | 0 | 114.3 | R432 N433 Y434 P490 T492 | R432-H436 PolarHBondContact O-CD2 3.23Å; R432-H436 PolarHBondContact O-N 3.39Å; R432-H436 VanDerWaalsContact O-N 3.11Å; N433-H436 PolarHBondContact O-N 3.16Å; Y434-H436 VanDerWaalsContact C-N 3.34Å; Y434-H436 PolarHBondContact O-N 2.97Å; H436-P490 WeakPolarHBondContact ND1-CG 3.34Å; H436-T492 PolarHBondContact CE1-OG1 3.36Å; H436-T492 PolarHBondContact NE2-OG1 3.11Å |
| 437 | V | 96.1 | Very high | 95 | Very high | 24 Ų | 24 | 65.5 Ų | 65.5 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | trans | -83.7 | 133.6 | -179.8 | 177.8 | 0 | 0 | 0 | 0 | 110.7 | W400 F416 A419 W420 N433 Y434 Y435 R483 | W400-V437 HydrophobicContact CZ2-CG1 4.47Å; F416-V437 HydrophobicContact CE1-CG1 3.7Å; F416-V437 HydrophobicContact CZ-CG1 3.83Å; A419-V437 HydrophobicContact CB-CB 4.29Å; A419-V437 HydrophobicContact CB-CG1 4.02Å; A419-V437 HydrophobicContact CB-CG2 3.58Å; W420-V437 HydrophobicContact CZ2-CG1 4.43Å; N433-V437 WeakPolarHBondContact O-CG2 3.35Å; Y434-V437 PolarHBondContact O-N 3.01Å; Y435-V437 VanDerWaalsContact C-N 3.3Å; Y435-V437 PolarHBondContact O-N 3.41Å; V437-R483 PolarHBondContact O-NE 2.93Å; V437-R483 VanDerWaalsContact O-NE 3.09Å | ||
| 438 | D | 96.1 | Very high | 95.4 | Very high | 36 Ų | 36 | 55.5 Ų | 55.5 | 19% | 0.193 | 31% | 0.305 | C | S | . | . | trans | -117.4 | 116.2 | 162.5 | -170.8 | -32.1 | 0 | 0 | 0 | 107.6 | R440 D441 R483 | D438-R440 PolarHBondContact O-N 3.3Å; D438-R440 VanDerWaalsContact OD1-CB 3.31Å; D438-R440 WeakPolarHBondContact OD1-CB 3.43Å; D438-R440 IonicContact OD1-CZ 2.72Å; D438-R440 PolarHBondContact OD1-N 2.96Å; D438-R440 IonicContact OD1-NE 3.91Å; D438-R440 PolarHBondContact OD1-NE 3.05Å; D438-R440 IonicContact OD1-NH2 2.63Å; D438-R440 IonicContact OD2-CZ 3.26Å; D438-R440 IonicContact OD2-NE 2.75Å; D438-R440 IonicContact OD2-NH2 3.71Å; D438-R440 PolarHBondContact OD2-NH2 3.35Å; D438-D441 HydrophobicContact CB-CB 4.3Å; D438-D441 PolarHBondContact O-N 3.33Å; D438-R483 IonicContact OD2-NH2 2.88Å | ||
| 439 | P | 96.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -9.3 | -178.4 | 28.3 | -36.6 | 0 | 0 | 0 | 113.3 | F165 M404 F416 W420 F442 V452 | F165-P439 HydrophobicContact CE2-CG 4.39Å; F165-P439 HydrophobicContact CZ-CG 3.94Å; M404-P439 WeakPolarHBondContact CE-O 3.45Å; F416-P439 HydrophobicContact CB-CB 3.72Å; F416-P439 HydrophobicContact CD1-CB 3.7Å; F416-P439 HydrophobicContact CD2-CB 4.26Å; F416-P439 HydrophobicContact CE1-CB 4.38Å; F416-P439 HydrophobicContact CG-CB 3.62Å; W420-P439 HydrophobicContact CH2-CG 4.07Å; P439-F442 VanDerWaalsContact O-CD1 3.26Å; P439-F442 WeakPolarHBondContact O-CD1 3.33Å; P439-V452 HydrophobicContact CB-CG1 4.03Å; P439-V452 HydrophobicContact CG-CG1 4.21Å |
| 440 | R | 96.6 | Very high | 96.1 | Very high | 83 Ų | 83 | 57.3 Ų | 57.3 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -10.6 | 174.1 | -58.8 | 168 | -60.4 | 176.3 | 6.5 | 113.3 | F165 D438 F442 A449 V452 | F165-R440 HydrophobicContact CE1-CG 4.22Å; F165-R440 HydrophobicContact CZ-CG 3.92Å; D438-R440 PolarHBondContact O-N 3.3Å; D438-R440 VanDerWaalsContact OD1-CB 3.31Å; D438-R440 WeakPolarHBondContact OD1-CB 3.43Å; D438-R440 IonicContact OD1-CZ 2.72Å; D438-R440 PolarHBondContact OD1-N 2.96Å; D438-R440 IonicContact OD1-NE 3.91Å; D438-R440 PolarHBondContact OD1-NE 3.05Å; D438-R440 IonicContact OD1-NH2 2.63Å; D438-R440 IonicContact OD2-CZ 3.26Å; D438-R440 IonicContact OD2-NE 2.75Å; D438-R440 IonicContact OD2-NH2 3.71Å; D438-R440 PolarHBondContact OD2-NH2 3.35Å; R440-F442 VanDerWaalsContact C-N 3.26Å; R440-F442 WeakPolarHBondContact O-CD1 3.49Å; R440-F442 PolarHBondContact O-N 3.21Å; R440-A449 HydrophobicContact CB-CB 4.22Å; R440-A449 HydrophobicContact CG-CB 4.43Å; R440-V452 HydrophobicContact CG-CB 4.29Å; R440-V452 HydrophobicContact CG-CG2 4.4Å |
| 441 | D | 95.4 | Very high | 96.4 | Very high | 97 Ų | 97 | 58.8 Ų | 58.8 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | trans | -85.7 | 57.9 | -179.8 | -176.9 | 40.4 | 0 | 0 | 0 | 112.7 | K401 D438 | K401-D441 WeakPolarHBondContact CD-O 3.45Å; K401-D441 WeakPolarHBondContact CE-O 3.32Å; K401-D441 PolarHBondContact NZ-O 3.2Å; K401-D441 IonicContact NZ-OD2 3.03Å; K401-D441 PolarHBondContact NZ-OD2 2.79Å; D438-D441 HydrophobicContact CB-CB 4.3Å; D438-D441 PolarHBondContact O-N 3.33Å | ||
| 442 | F | 96.5 | Very high | 96.5 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 4% | 0.039 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -111.7 | 9.8 | 179.5 | 60.8 | -92.2 | 0 | 0 | 0 | 113.8 | W400 K401 M404 K405 T408 P439 R440 G444 D448 V452 | W400-F442 HydrophobicContact CZ3-CB 4.03Å; K401-F442 HydrophobicContact CB-CB 4.12Å; K401-F442 HydrophobicContact CG-CB 4.33Å; M404-F442 HydrophobicContact CB-CB 3.78Å; M404-F442 HydrophobicContact CB-CD1 4.04Å; M404-F442 HydrophobicContact CB-CD2 3.98Å; M404-F442 HydrophobicContact CB-CG 3.67Å; M404-F442 HydrophobicContact CE-CD1 4.27Å; M404-F442 HydrophobicContact CE-CE1 4.36Å; M404-F442 HydrophobicContact CG-CB 4.47Å; K405-F442 HydrophobicContact CB-CD2 3.91Å; K405-F442 HydrophobicContact CB-CE2 4.48Å; T408-F442 HydrophobicContact CG2-CE2 4.32Å; T408-F442 HydrophobicContact CG2-CZ 3.96Å; T408-F442 WeakPolarHBondContact OG1-CE2 3.43Å; P439-F442 VanDerWaalsContact O-CD1 3.26Å; P439-F442 WeakPolarHBondContact O-CD1 3.33Å; R440-F442 VanDerWaalsContact C-N 3.26Å; R440-F442 WeakPolarHBondContact O-CD1 3.49Å; R440-F442 PolarHBondContact O-N 3.21Å; F442-G444 VanDerWaalsContact C-N 3.33Å; F442-G444 PolarHBondContact O-N 3.27Å; F442-D448 HydrophobicContact CE2-CB 4.03Å; F442-D448 HydrophobicContact CZ-CB 3.99Å; F442-V452 HydrophobicContact CE1-CG2 3.62Å; F442-V452 HydrophobicContact CZ-CG2 4.28Å |
| 443 | G | 96 | Very high | 96.6 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 53% | 0.526 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 70.1 | 26.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K405 | K405-G443 WeakPolarHBondContact CE-O 3.25Å; K405-G443 PolarHBondContact NZ-O 2.73Å |
| 444 | G | 95.6 | Very high | 96.9 | Very high | 31 Ų | 31 | 51.6 Ų | 51.6 | 32% | 0.32 | 27% | 0.273 | S | S | . | . | trans | -85.5 | 174 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113 | F442 | F442-G444 VanDerWaalsContact C-N 3.33Å; F442-G444 PolarHBondContact O-N 3.27Å | ||
| 445 | S | 97.2 | Very high | 97 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 40% | 0.399 | 27% | 0.27 | S | S | . | . | trans | -71.5 | 169 | 171.4 | 70.9 | 0 | 0 | 0 | 0 | 111.8 | E447 D448 A449 | S445-E447 PolarHBondContact O-N 3.41Å; S445-E447 PolarHBondContact OG-N 3.2Å; S445-D448 VanDerWaalsContact CB-OD2 3.32Å; S445-D448 WeakPolarHBondContact CB-OD2 3.27Å; S445-D448 PolarHBondContact N-OD2 2.81Å; S445-D448 PolarHBondContact O-N 3.43Å; S445-D448 PolarHBondContact OG-N 2.7Å; S445-D448 VanDerWaalsContact OG-N 3.09Å; S445-D448 PolarHBondContact OG-OD2 2.85Å; S445-A449 PolarHBondContact O-N 2.81Å | ||
| 446 | K | 96.3 | Very high | 97.1 | Very high | 180 Ų | 180 | 50.4 Ų | 50.4 | 78% | 0.783 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -60.6 | -30.8 | 172.6 | -70.3 | -174.1 | 179.5 | -178.8 | 0 | 112.7 | K450 | K446-K450 WeakPolarHBondContact O-CG 3.48Å; K446-K450 PolarHBondContact O-N 2.91Å |
| 447 | E | 97 | Very high | 97.2 | Very high | 118 Ų | 118 | 45.3 Ų | 45.3 | 55% | 0.551 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -74.4 | -39.8 | 175.8 | -61.6 | -52.2 | 136.6 | 0 | 0 | 111.1 | S445 A449 K450 | S445-E447 PolarHBondContact O-N 3.41Å; S445-E447 PolarHBondContact OG-N 3.2Å; E447-A449 VanDerWaalsContact C-N 3.28Å; E447-A449 PolarHBondContact O-N 3.09Å; E447-K450 WeakPolarHBondContact O-CB 3.39Å; E447-K450 PolarHBondContact O-N 3.3Å; E447-K450 VanDerWaalsContact O-N 3.14Å; E447-K450 IonicContact OE1-NZ 2.92Å; E447-K450 PolarHBondContact OE1-NZ 2.91Å; E447-K450 WeakPolarHBondContact OE2-CD 3.3Å; E447-K450 IonicContact OE2-NZ 3.9Å; E447-K450 PolarHBondContact OE2-NZ 2.94Å |
| 448 | D | 97.8 | Very high | 97.3 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 18% | 0.176 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 173 | -60.2 | -42.3 | 0 | 0 | 0 | 110.9 | F442 S445 K450 L451 | F442-D448 HydrophobicContact CE2-CB 4.03Å; F442-D448 HydrophobicContact CZ-CB 3.99Å; S445-D448 VanDerWaalsContact CB-OD2 3.32Å; S445-D448 WeakPolarHBondContact CB-OD2 3.27Å; S445-D448 PolarHBondContact N-OD2 2.81Å; S445-D448 PolarHBondContact O-N 3.43Å; S445-D448 PolarHBondContact OG-N 2.7Å; S445-D448 VanDerWaalsContact OG-N 3.09Å; S445-D448 PolarHBondContact OG-OD2 2.85Å; D448-K450 PolarHBondContact O-N 3.01Å; D448-L451 WeakPolarHBondContact O-CB 3.33Å; D448-L451 PolarHBondContact O-N 3.47Å |
| 449 | A | 97 | Very high | 97.4 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.2 | -26.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R440 S445 E447 L451 V452 | R440-A449 HydrophobicContact CB-CB 4.22Å; R440-A449 HydrophobicContact CG-CB 4.43Å; S445-A449 PolarHBondContact O-N 2.81Å; E447-A449 VanDerWaalsContact C-N 3.28Å; E447-A449 PolarHBondContact O-N 3.09Å; A449-L451 VanDerWaalsContact C-N 3.28Å; A449-L451 PolarHBondContact O-N 2.92Å; A449-V452 PolarHBondContact O-N 2.84Å |
| 450 | K | 97.1 | Very high | 97.5 | Very high | 139 Ų | 139 | 43.4 Ų | 43.4 | 60% | 0.604 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -73.8 | -18.5 | 174.8 | -68.8 | 174 | -167.7 | 166.4 | 0 | 113.1 | K446 E447 D448 | K446-K450 WeakPolarHBondContact O-CG 3.48Å; K446-K450 PolarHBondContact O-N 2.91Å; E447-K450 WeakPolarHBondContact O-CB 3.39Å; E447-K450 PolarHBondContact O-N 3.3Å; E447-K450 VanDerWaalsContact O-N 3.14Å; E447-K450 IonicContact OE1-NZ 2.92Å; E447-K450 PolarHBondContact OE1-NZ 2.91Å; E447-K450 WeakPolarHBondContact OE2-CD 3.3Å; E447-K450 IonicContact OE2-NZ 3.9Å; E447-K450 PolarHBondContact OE2-NZ 2.94Å; D448-K450 PolarHBondContact O-N 3.01Å |
| 451 | L | 98.2 | Very high | 97.6 | Very high | 43 Ų | 43 | 39.5 Ų | 39.5 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -11.8 | 175.5 | -66.3 | 171.5 | 0 | 0 | 0 | 112.3 | T408 R413 V414 D448 A449 V453 | T408-L451 HydrophobicContact CG2-CB 3.93Å; T408-L451 HydrophobicContact CG2-CD1 4.5Å; T408-L451 WeakPolarHBondContact O-CD1 3.43Å; R413-L451 CarbonylContact C-O 3.33Å; R413-L451 VanDerWaalsContact CA-O 3.32Å; R413-L451 WeakPolarHBondContact CA-O 3.36Å; R413-L451 HydrophobicContact CG-CD2 4.38Å; V414-L451 PolarHBondContact N-O 2.78Å; D448-L451 WeakPolarHBondContact O-CB 3.33Å; D448-L451 PolarHBondContact O-N 3.47Å; A449-L451 VanDerWaalsContact C-N 3.28Å; A449-L451 PolarHBondContact O-N 2.92Å; L451-V453 PolarHBondContact O-N 2.83Å |
| 452 | V | 98.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 104.3 | 169.7 | -174.4 | 0 | 0 | 0 | 0 | 108.6 | F165 M404 V414 P439 R440 F442 A449 G454 | F165-V452 HydrophobicContact CE1-CB 4.41Å; F165-V452 HydrophobicContact CE1-CG1 3.96Å; M404-V452 HydrophobicContact CE-CB 4.47Å; M404-V452 HydrophobicContact CE-CG1 4.16Å; M404-V452 HydrophobicContact CE-CG2 3.54Å; V414-V452 WeakPolarHBondContact O-CA 3.38Å; P439-V452 HydrophobicContact CB-CG1 4.03Å; P439-V452 HydrophobicContact CG-CG1 4.21Å; R440-V452 HydrophobicContact CG-CB 4.29Å; R440-V452 HydrophobicContact CG-CG2 4.4Å; F442-V452 HydrophobicContact CE1-CG2 3.62Å; F442-V452 HydrophobicContact CZ-CG2 4.28Å; A449-V452 PolarHBondContact O-N 2.84Å; V452-G454 VanDerWaalsContact C-N 3.3Å; V452-G454 PolarHBondContact O-N 3.01Å |
| 453 | V | 98.2 | Very high | 97.8 | Very high | 20 Ų | 20 | 47.1 Ų | 47.1 | 12% | 0.121 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -15.3 | -175.4 | -68.3 | 0 | 0 | 0 | 0 | 113.1 | P166 H167 W314 V391 R413 V414 L415 L451 | P166-V453 VanDerWaalsContact CD-O 3.27Å; P166-V453 WeakPolarHBondContact CD-O 3.23Å; P166-V453 WeakPolarHBondContact CG-O 3.4Å; H167-V453 PolarHBondContact N-O 2.7Å; W314-V453 HydrophobicContact CH2-CB 4.35Å; W314-V453 HydrophobicContact CH2-CG1 4.49Å; W314-V453 HydrophobicContact CH2-CG2 3.97Å; W314-V453 HydrophobicContact CZ3-CG2 4.28Å; V391-V453 HydrophobicContact CG1-CG2 4.27Å; R413-V453 HydrophobicContact CB-CG1 3.9Å; R413-V453 HydrophobicContact CG-CG1 4.06Å; V414-V453 VanDerWaalsContact O-CG2 3.24Å; V414-V453 WeakPolarHBondContact O-CG2 3.4Å; V414-V453 PolarHBondContact O-N 2.89Å; L415-V453 HydrophobicContact CB-CG2 4.37Å; L415-V453 HydrophobicContact CD1-CG2 4.28Å; L451-V453 PolarHBondContact O-N 2.83Å |
| 454 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.8 | -149.4 | -177 | 0 | 0 | 0 | 0 | 0 | 111.1 | F165 H167 F416 V452 | F165-G454 VanDerWaalsContact CD1-CA 3.5Å; H167-G454 WeakPolarHBondContact O-CA 3.33Å; F416-G454 PolarHBondContact N-O 3.19Å; V452-G454 VanDerWaalsContact C-N 3.3Å; V452-G454 PolarHBondContact O-N 3.01Å |
| 455 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.2 | -178.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | H167 G169 L415 F416 L484 | H167-G455 PolarHBondContact O-N 2.87Å; G169-G455 PolarHBondContact N-O 3.34Å; L415-G455 VanDerWaalsContact CD1-CA 3.49Å; F416-G455 CarbonylContact O-C 3.49Å; F416-G455 WeakPolarHBondContact O-CA 3.31Å; G455-L484 VanDerWaalsContact O-CD1 3.26Å; G455-L484 WeakPolarHBondContact O-CD1 3.31Å |
| 456 | E | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 137.8 | -172.5 | -40.6 | -168.6 | 142.7 | 0 | 0 | 112.6 | H167 G169 H200 M252 H393 L415 F416 S417 | H167-E456 IonicContact CD2-OE1 2.89Å; H167-E456 IonicContact CE1-OE1 3.6Å; H167-E456 IonicContact NE2-OE1 3.43Å; H167-E456 PolarHBondContact NE2-OE1 2.85Å; G169-E456 CarbonylContact O-C 3.57Å; G169-E456 WeakPolarHBondContact O-CA 3.09Å; G169-E456 WeakPolarHBondContact O-CB 3.38Å; H200-E456 VanDerWaalsContact CB-OE2 3.26Å; H200-E456 WeakPolarHBondContact CB-OE2 3.28Å; H200-E456 IonicContact CE1-OE2 3.44Å; H200-E456 IonicContact CG-OE2 3.95Å; H200-E456 IonicContact ND1-OE1 3.67Å; H200-E456 IonicContact ND1-OE2 3.2Å; H200-E456 PolarHBondContact ND1-OE2 3.05Å; M252-E456 WeakPolarHBondContact CE-OE1 3.39Å; H393-E456 IonicContact CE1-OE2 3.62Å; H393-E456 PolarHBondContact CE1-OE2 3.05Å; H393-E456 VanDerWaalsContact CE1-OE2 3.23Å; L415-E456 HydrophobicContact CD1-CG 4.08Å; L415-E456 HydrophobicContact CD2-CG 3.93Å; L415-E456 HydrophobicContact CG-CG 4.1Å; F416-E456 PolarHBondContact O-N 2.93Å; S417-E456 WeakPolarHBondContact CA-O 3.1Å; S417-E456 WeakPolarHBondContact CB-O 3.28Å; S417-E456 WeakPolarHBondContact OG-CB 3.15Å; S417-E456 PolarHBondContact OG-O 2.95Å |
| 457 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 142.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | G169 F170 L171 W420 L422 V480 | G169-A457 PolarHBondContact O-N 2.96Å; F170-A457 CarbonylContact C-O 3.46Å; F170-A457 VanDerWaalsContact CA-O 3.31Å; F170-A457 WeakPolarHBondContact CA-O 3.42Å; F170-A457 HydrophobicContact CD1-CB 3.98Å; F170-A457 HydrophobicContact CD2-CB 3.94Å; F170-A457 HydrophobicContact CE1-CB 3.91Å; F170-A457 HydrophobicContact CE2-CB 3.92Å; F170-A457 HydrophobicContact CG-CB 3.99Å; F170-A457 HydrophobicContact CZ-CB 3.92Å; L171-A457 PolarHBondContact N-O 3.07Å; W420-A457 CarbonylContact O-C 3.57Å; W420-A457 WeakPolarHBondContact O-CA 3.05Å; L422-A457 HydrophobicContact CD1-CB 3.76Å; A457-V480 HydrophobicContact CB-CB 4.16Å; A457-V480 HydrophobicContact CB-CG1 4.04Å; A457-V480 HydrophobicContact CB-CG2 4.14Å |
| 458 | A | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L171 W420 Y421 L422 | L171-A458 HydrophobicContact CB-CB 4.18Å; W420-A458 PolarHBondContact O-N 2.84Å; Y421-A458 HydrophobicContact CD2-CB 4.07Å; Y421-A458 HydrophobicContact CE2-CB 4.08Å; Y421-A458 HydrophobicContact CG-CB 4.47Å; L422-A458 PolarHBondContact N-O 3.45Å |
| 459 | I | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 85 | 170.6 | -170 | 74.1 | 0 | 0 | 0 | 109.2 | F170 L171 I172 F187 L422 N423 V464 L469 R472 | F170-I459 HydrophobicContact CD1-CG2 4.23Å; F170-I459 HydrophobicContact CE1-CB 4.04Å; F170-I459 HydrophobicContact CE1-CG2 3.64Å; L171-I459 VanDerWaalsContact O-CG2 3.28Å; L171-I459 WeakPolarHBondContact O-CG2 3.34Å; L171-I459 PolarHBondContact O-N 3.37Å; I172-I459 HydrophobicContact CG2-CG2 4.02Å; F187-I459 HydrophobicContact CZ-CG2 4.26Å; L422-I459 HydrophobicContact CB-CD1 4.02Å; N423-I459 HydrophobicContact CB-CD1 4.01Å; I459-V464 HydrophobicContact CD1-CG2 4.02Å; I459-V464 HydrophobicContact CG1-CB 4.48Å; I459-V464 HydrophobicContact CG1-CG1 3.95Å; I459-V464 HydrophobicContact CG1-CG2 4.06Å; I459-L469 HydrophobicContact CB-CD1 4.47Å; I459-L469 HydrophobicContact CG1-CD1 4.04Å; I459-L469 HydrophobicContact CG2-CD1 3.52Å; I459-R472 HydrophobicContact CD1-CB 4.07Å |
| 460 | W | 98.5 | Very high | 98.2 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 7% | 0.068 | 17% | 0.174 | C | C | . | . | trans | -68 | 150.5 | 178.4 | -66.7 | 107.2 | 0 | 0 | 0 | 113.2 | L171 D173 H202 W376 Y421 N423 E462 V464 | L171-W460 HydrophobicContact CD1-CH2 3.67Å; L171-W460 HydrophobicContact CD1-CZ2 3.55Å; L171-W460 HydrophobicContact CD1-CZ3 4.28Å; L171-W460 HydrophobicContact CD2-CD2 3.87Å; L171-W460 HydrophobicContact CD2-CE3 3.89Å; L171-W460 HydrophobicContact CD2-CG 4.49Å; L171-W460 HydrophobicContact CD2-CH2 4.24Å; L171-W460 HydrophobicContact CD2-CZ2 4.23Å; L171-W460 HydrophobicContact CD2-CZ3 4.07Å; D173-W460 HydrophobicContact CB-CE3 4.24Å; H202-W460 HydrophobicContact CB-CZ3 4.12Å; H202-W460 AromaticContact CE1-CZ3 3.93Å; H202-W460 AromaticContact CG-CZ3 3.63Å; H202-W460 AromaticContact ND1-CH2 3.87Å; H202-W460 AromaticContact ND1-CZ3 3.56Å; W376-W460 HydrophobicContact CH2-CZ2 4.07Å; W376-W460 AromaticContact CZ2-CH2 3.83Å; W376-W460 HydrophobicContact CZ2-CH2 3.83Å; W376-W460 AromaticContact CZ2-CZ2 3.77Å; W376-W460 HydrophobicContact CZ2-CZ2 3.77Å; Y421-W460 AromaticContact CD1-CD1 3.72Å; Y421-W460 AromaticContact CD1-NE1 3.95Å; Y421-W460 AromaticContact CE1-CD1 3.33Å; Y421-W460 AromaticContact CE1-NE1 3.14Å; Y421-W460 AromaticContact CZ-CD1 3.92Å; Y421-W460 AromaticContact CZ-NE1 3.26Å; Y421-W460 VanDerWaalsContact CZ-NE1 3.26Å; Y421-W460 PolarHBondContact OH-NE1 3.05Å; Y421-W460 VanDerWaalsContact OH-NE1 3.09Å; N423-W460 HydrophobicContact CB-CB 4.48Å; W460-E462 WeakPolarHBondContact CB-OE2 3.23Å; W460-V464 WeakPolarHBondContact O-CB 3.45Å; W460-V464 WeakPolarHBondContact O-CG2 3.49Å | ||
| 461 | G | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -86 | -1.6 | -163.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | D173 R176 H177 Y463 V464 | D173-G461 PolarHBondContact OD2-N 2.87Å; R176-G461 WeakPolarHBondContact CB-O 3.15Å; H177-G461 PolarHBondContact CE1-O 3.14Å; H177-G461 PolarHBondContact ND1-O 3.2Å; G461-Y463 PolarHBondContact O-N 3.48Å; G461-Y463 VanDerWaalsContact O-N 3.1Å; G461-V464 PolarHBondContact O-N 2.76Å |
| 462 | E | 97.9 | Very high | 98 | Very high | 85 Ų | 85 | 31.2 Ų | 31.2 | 40% | 0.397 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -60 | -32.2 | -169.6 | -56.7 | 89.4 | 159.2 | 0 | 0 | 113.1 | H177 W460 | H177-E462 PolarHBondContact CE1-O 3.42Å; W460-E462 WeakPolarHBondContact CB-OE2 3.23Å |
| 463 | Y | 97.9 | Very high | 98 | Very high | 182 Ų | 182 | 30.9 Ų | 30.9 | 71% | 0.714 | 15% | 0.153 | S | C | * | . | G | 310 helix | trans | -130.1 | 19.7 | 175.4 | -60.2 | -80.1 | 0 | 0 | 0 | 112 | G461 N468 R472 | G461-Y463 PolarHBondContact O-N 3.48Å; G461-Y463 VanDerWaalsContact O-N 3.1Å; Y463-N468 PolarHBondContact O-ND2 3.04Å; Y463-N468 VanDerWaalsContact O-ND2 3.08Å; Y463-R472 VanDerWaalsContact O-CZ 3.24Å; Y463-R472 PolarHBondContact O-NH1 3.39Å; Y463-R472 PolarHBondContact O-NH2 3.48Å |
| 464 | V | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | trans | -124.2 | 129.2 | -173 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | H177 I459 W460 G461 N468 L469 | H177-V464 PolarHBondContact ND1-O 3.29Å; I459-V464 HydrophobicContact CD1-CG2 4.02Å; I459-V464 HydrophobicContact CG1-CB 4.48Å; I459-V464 HydrophobicContact CG1-CG1 3.95Å; I459-V464 HydrophobicContact CG1-CG2 4.06Å; W460-V464 WeakPolarHBondContact O-CB 3.45Å; W460-V464 WeakPolarHBondContact O-CG2 3.49Å; G461-V464 PolarHBondContact O-N 2.76Å; V464-N468 VanDerWaalsContact CA-OD1 3.23Å; V464-N468 WeakPolarHBondContact CA-OD1 3.35Å; V464-N468 WeakPolarHBondContact CG1-OD1 3.47Å; V464-L469 HydrophobicContact CG1-CB 3.84Å; V464-L469 HydrophobicContact CG1-CD1 3.67Å; V464-L469 HydrophobicContact CG1-CG 4.39Å | ||
| 465 | D | 98.1 | Very high | 97.9 | Very high | 48 Ų | 48 | 30 Ų | 30 | 26% | 0.257 | 15% | 0.147 | S | C | . | . | trans | -146.5 | -171.4 | 177.8 | 70.1 | 5.8 | 0 | 0 | 0 | 110.9 | H177 T467 N468 L469 | H177-D465 HydrophobicContact CB-CB 3.78Å; D465-T467 PolarHBondContact O-N 3.09Å; D465-T467 WeakPolarHBondContact OD1-CA 3.29Å; D465-T467 VanDerWaalsContact OD1-CB 3.26Å; D465-T467 WeakPolarHBondContact OD1-CB 3.3Å; D465-T467 WeakPolarHBondContact OD1-CG2 3.39Å; D465-T467 PolarHBondContact OD1-N 2.85Å; D465-T467 PolarHBondContact OD1-OG1 2.89Å; D465-N468 PolarHBondContact N-OD1 3.3Å; D465-N468 PolarHBondContact O-N 3.06Å; D465-N468 VanDerWaalsContact O-N 3.12Å; D465-L469 VanDerWaalsContact O-CB 3.27Å; D465-L469 WeakPolarHBondContact O-CB 3.05Å; D465-L469 PolarHBondContact O-N 2.84Å | ||
| 466 | D | 98 | Very high | 97.8 | Very high | 56 Ų | 56 | 30.2 Ų | 30.2 | 30% | 0.299 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -25.3 | 177.2 | -87.6 | 17.2 | 0 | 0 | 0 | 114.3 | L179 S180 E183 | L179-D466 WeakPolarHBondContact CA-OD1 3.41Å; L179-D466 WeakPolarHBondContact CD2-OD1 3.43Å; S180-D466 WeakPolarHBondContact CB-OD2 3.39Å; S180-D466 PolarHBondContact N-OD1 2.62Å; S180-D466 PolarHBondContact N-OD2 2.92Å; S180-D466 PolarHBondContact OG-OD2 3.39Å; E183-D466 VanDerWaalsContact CB-OD1 3.27Å; E183-D466 WeakPolarHBondContact CB-OD1 3.47Å; E183-D466 WeakPolarHBondContact CG-OD1 3.37Å |
| 467 | T | 97.5 | Very high | 97.8 | Very high | 115 Ų | 115 | 30.2 Ų | 30.2 | 71% | 0.706 | 15% | 0.148 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -26.4 | -175.9 | 73.5 | 0 | 0 | 0 | 0 | 113.1 | D465 | D465-T467 PolarHBondContact O-N 3.09Å; D465-T467 WeakPolarHBondContact OD1-CA 3.29Å; D465-T467 VanDerWaalsContact OD1-CB 3.26Å; D465-T467 WeakPolarHBondContact OD1-CB 3.3Å; D465-T467 WeakPolarHBondContact OD1-CG2 3.39Å; D465-T467 PolarHBondContact OD1-N 2.85Å; D465-T467 PolarHBondContact OD1-OG1 2.89Å |
| 468 | N | 97.1 | Very high | 97.8 | Very high | 27 Ų | 27 | 30.2 Ų | 30.2 | 14% | 0.144 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -138.5 | -6.8 | -168.6 | 70.7 | 27.3 | 0 | 0 | 0 | 114.8 | Y463 V464 D465 F470 S471 R472 | Y463-N468 PolarHBondContact O-ND2 3.04Å; Y463-N468 VanDerWaalsContact O-ND2 3.08Å; V464-N468 VanDerWaalsContact CA-OD1 3.23Å; V464-N468 WeakPolarHBondContact CA-OD1 3.35Å; V464-N468 WeakPolarHBondContact CG1-OD1 3.47Å; D465-N468 PolarHBondContact N-OD1 3.3Å; D465-N468 PolarHBondContact O-N 3.06Å; D465-N468 VanDerWaalsContact O-N 3.12Å; N468-F470 VanDerWaalsContact C-N 3.31Å; N468-F470 PolarHBondContact O-N 2.83Å; N468-S471 PolarHBondContact O-N 2.77Å; N468-S471 PolarHBondContact O-OG 2.81Å; N468-R472 PolarHBondContact ND2-NH2 3.07Å; N468-R472 WeakPolarHBondContact O-CB 3.18Å; N468-R472 WeakPolarHBondContact O-CG 3.02Å; N468-R472 PolarHBondContact O-N 3.23Å |
| 469 | L | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -50 | -53.5 | 176.5 | 175.1 | 70.7 | 0 | 0 | 0 | 110.9 | I172 L179 E183 F187 I459 V464 D465 S473 | I172-L469 HydrophobicContact CG2-CD1 4.41Å; L179-L469 HydrophobicContact CD1-CD2 3.69Å; L179-L469 HydrophobicContact CD2-CD2 4.22Å; E183-L469 HydrophobicContact CG-CD2 3.68Å; F187-L469 HydrophobicContact CD2-CD1 4.5Å; F187-L469 HydrophobicContact CD2-CD2 3.81Å; F187-L469 HydrophobicContact CD2-CG 3.95Å; F187-L469 HydrophobicContact CE2-CD1 4.09Å; F187-L469 HydrophobicContact CE2-CD2 4.24Å; F187-L469 HydrophobicContact CE2-CG 3.93Å; F187-L469 HydrophobicContact CG-CD2 4.42Å; I459-L469 HydrophobicContact CB-CD1 4.47Å; I459-L469 HydrophobicContact CG1-CD1 4.04Å; I459-L469 HydrophobicContact CG2-CD1 3.52Å; V464-L469 HydrophobicContact CG1-CB 3.84Å; V464-L469 HydrophobicContact CG1-CD1 3.67Å; V464-L469 HydrophobicContact CG1-CG 4.39Å; D465-L469 VanDerWaalsContact O-CB 3.27Å; D465-L469 WeakPolarHBondContact O-CB 3.05Å; D465-L469 PolarHBondContact O-N 2.84Å; L469-S473 WeakPolarHBondContact O-CB 3.47Å; L469-S473 PolarHBondContact O-N 3.43Å; L469-S473 PolarHBondContact O-OG 3.45Å |
| 470 | F | 97.9 | Very high | 97.8 | Very high | 5 Ų | 5 | 30.1 Ų | 30.1 | 2% | 0.022 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66 | -47.5 | -175.2 | -160.9 | -83.2 | 0 | 0 | 0 | 112.3 | K186 N468 S473 W474 W511 A513 | K186-F470 HydrophobicContact CD-CD2 3.88Å; K186-F470 HydrophobicContact CD-CE2 4.22Å; K186-F470 HydrophobicContact CD-CG 4.41Å; K186-F470 VanDerWaalsContact CE-CD2 3.46Å; K186-F470 HydrophobicContact CG-CD2 3.87Å; K186-F470 HydrophobicContact CG-CE2 3.83Å; N468-F470 VanDerWaalsContact C-N 3.31Å; N468-F470 PolarHBondContact O-N 2.83Å; F470-S473 PolarHBondContact O-N 2.89Å; F470-W474 HydrophobicContact CD1-CB 4.17Å; F470-W474 AromaticContact CD2-CD1 3.73Å; F470-W474 HydrophobicContact CE1-CB 3.74Å; F470-W474 AromaticContact CE1-CD1 3.89Å; F470-W474 HydrophobicContact CE1-CG 4.09Å; F470-W474 AromaticContact CE2-CD1 3.57Å; F470-W474 HydrophobicContact CE2-CG 4.36Å; F470-W474 HydrophobicContact CZ-CB 4.11Å; F470-W474 AromaticContact CZ-CD1 3.63Å; F470-W474 AromaticContact CZ-CG 3.99Å; F470-W474 HydrophobicContact CZ-CG 3.99Å; F470-W474 WeakPolarHBondContact O-CB 3.47Å; F470-W474 PolarHBondContact O-N 3.04Å; F470-W511 HydrophobicContact CD1-CB 4.07Å; F470-W511 HydrophobicContact CE1-CB 3.39Å; F470-W511 HydrophobicContact CE1-CG 4.31Å; F470-W511 HydrophobicContact CE2-CB 4.05Å; F470-W511 HydrophobicContact CE2-CD2 4.25Å; F470-W511 HydrophobicContact CE2-CE3 4.31Å; F470-W511 HydrophobicContact CE2-CG 4.18Å; F470-W511 HydrophobicContact CZ-CB 3.38Å; F470-W511 AromaticContact CZ-CD2 3.87Å; F470-W511 HydrophobicContact CZ-CD2 3.87Å; F470-W511 AromaticContact CZ-CE3 3.68Å; F470-W511 HydrophobicContact CZ-CE3 3.68Å; F470-W511 AromaticContact CZ-CG 3.8Å; F470-W511 HydrophobicContact CZ-CG 3.8Å; F470-A513 HydrophobicContact CE1-CB 4.11Å |
| 471 | S | 96.4 | Very high | 97.8 | Very high | 34 Ų | 34 | 29.3 Ų | 29.3 | 24% | 0.238 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.5 | -37.1 | -175.8 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | N468 S473 N512 E514 | N468-S471 PolarHBondContact O-N 2.77Å; N468-S471 PolarHBondContact O-OG 2.81Å; S471-S473 VanDerWaalsContact C-N 3.33Å; S471-N512 WeakPolarHBondContact CA-O 3.47Å; S471-N512 WeakPolarHBondContact CB-O 3.22Å; S471-E514 WeakPolarHBondContact O-CG 3.32Å |
| 472 | R | 96.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 29.4 Ų | 29.4 | 20% | 0.196 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -72 | -29.4 | 175.5 | -69.9 | -177 | -179 | 179.8 | 11.4 | 112.4 | I425 I459 Y463 N468 R476 | I425-R472 HydrophobicContact CG2-CG 4.45Å; I459-R472 HydrophobicContact CD1-CB 4.07Å; Y463-R472 VanDerWaalsContact O-CZ 3.24Å; Y463-R472 PolarHBondContact O-NH1 3.39Å; Y463-R472 PolarHBondContact O-NH2 3.48Å; N468-R472 PolarHBondContact ND2-NH2 3.07Å; N468-R472 WeakPolarHBondContact O-CB 3.18Å; N468-R472 WeakPolarHBondContact O-CG 3.02Å; N468-R472 PolarHBondContact O-N 3.23Å; R472-R476 PolarHBondContact O-NH1 3.46Å |
| 473 | S | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -81.6 | -41.7 | 179.9 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | F187 L469 F470 S471 R476 G477 | F187-S473 WeakPolarHBondContact CE2-OG 3.37Å; L469-S473 WeakPolarHBondContact O-CB 3.47Å; L469-S473 PolarHBondContact O-N 3.43Å; L469-S473 PolarHBondContact O-OG 3.45Å; F470-S473 PolarHBondContact O-N 2.89Å; S471-S473 VanDerWaalsContact C-N 3.33Å; S473-R476 PolarHBondContact O-N 3.49Å; S473-G477 PolarHBondContact O-N 3.4Å |
| 474 | W | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 133.8 | -165.6 | -59.6 | 108.4 | 0 | 0 | 0 | 112.7 | F170 F187 S190 M191 V194 F470 M506 A513 E514 | F170-W474 AromaticContact CD2-CH2 3.84Å; F170-W474 HydrophobicContact CD2-CH2 3.84Å; F170-W474 AromaticContact CD2-CZ2 3.71Å; F170-W474 HydrophobicContact CD2-CZ2 3.71Å; F170-W474 AromaticContact CE2-CH2 3.62Å; F170-W474 HydrophobicContact CE2-CH2 3.62Å; F170-W474 AromaticContact CE2-CZ2 3.46Å; F170-W474 HydrophobicContact CE2-CZ2 3.46Å; F170-W474 VanDerWaalsContact CE2-CZ2 3.46Å; F170-W474 HydrophobicContact CE2-CZ3 4.31Å; F170-W474 HydrophobicContact CZ-CZ2 4.46Å; F187-W474 AromaticContact CD2-NE1 3.71Å; F187-W474 AromaticContact CE2-NE1 3.39Å; F187-W474 HydrophobicContact CZ-CZ2 4.43Å; F187-W474 AromaticContact CZ-NE1 3.84Å; S190-W474 PolarHBondContact OG-NE1 3.07Å; M191-W474 HydrophobicContact CG-CZ2 4.06Å; V194-W474 HydrophobicContact CB-CZ3 4.5Å; V194-W474 HydrophobicContact CG1-CZ3 4.25Å; V194-W474 HydrophobicContact CG2-CH2 3.43Å; V194-W474 VanDerWaalsContact CG2-CH2 3.43Å; V194-W474 HydrophobicContact CG2-CZ3 3.53Å; F470-W474 HydrophobicContact CD1-CB 4.17Å; F470-W474 AromaticContact CD2-CD1 3.73Å; F470-W474 HydrophobicContact CE1-CB 3.74Å; F470-W474 AromaticContact CE1-CD1 3.89Å; F470-W474 HydrophobicContact CE1-CG 4.09Å; F470-W474 AromaticContact CE2-CD1 3.57Å; F470-W474 HydrophobicContact CE2-CG 4.36Å; F470-W474 HydrophobicContact CZ-CB 4.11Å; F470-W474 AromaticContact CZ-CD1 3.63Å; F470-W474 AromaticContact CZ-CG 3.99Å; F470-W474 HydrophobicContact CZ-CG 3.99Å; F470-W474 WeakPolarHBondContact O-CB 3.47Å; F470-W474 PolarHBondContact O-N 3.04Å; W474-M506 HydrophobicContact CB-CE 4.29Å; W474-M506 HydrophobicContact CB-SD 3.89Å; W474-M506 HydrophobicContact CD2-CE 4.08Å; W474-M506 HydrophobicContact CE3-CE 3.78Å; W474-M506 HydrophobicContact CG-CE 4.31Å; W474-M506 HydrophobicContact CG-SD 4.46Å; W474-M506 HydrophobicContact CZ3-CE 4.48Å; W474-A513 WeakPolarHBondContact O-CA 3.3Å; W474-E514 PolarHBondContact O-N 3.33Å |
| 475 | P | 96.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -92 | 8.3 | 9.9 | 37.3 | -37.9 | 0 | 0 | 0 | 114.6 | G477 S478 V499 R503 M506 E514 I516 | P475-G477 VanDerWaalsContact C-N 3.31Å; P475-G477 PolarHBondContact O-N 2.86Å; P475-S478 VanDerWaalsContact O-CB 3.22Å; P475-S478 WeakPolarHBondContact O-CB 3.41Å; P475-S478 PolarHBondContact O-N 3.4Å; P475-S478 PolarHBondContact O-OG 3.2Å; P475-V499 HydrophobicContact CB-CG2 3.93Å; P475-V499 HydrophobicContact CG-CG2 4.34Å; P475-R503 HydrophobicContact CB-CB 4.39Å; P475-R503 HydrophobicContact CG-CB 4.03Å; P475-R503 HydrophobicContact CG-CG 4.17Å; P475-M506 HydrophobicContact CB-SD 4.33Å; P475-E514 WeakPolarHBondContact CD-O 3.35Å; P475-I516 HydrophobicContact CB-CD1 4.25Å; P475-I516 HydrophobicContact CG-CB 3.61Å; P475-I516 HydrophobicContact CG-CD1 3.64Å; P475-I516 HydrophobicContact CG-CG1 4.14Å; P475-I516 HydrophobicContact CG-CG2 3.88Å |
| 476 | R | 97.2 | Very high | 97.6 | Very high | 6 Ų | 6 | 15.8 Ų | 15.8 | 2% | 0.023 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -44.1 | -176.8 | -71.9 | 169.2 | 65.8 | -139.8 | 11.7 | 113.8 | L422 Y424 D430 W431 Y434 R472 S473 S478 A479 E514 | L422-R476 HydrophobicContact CD2-CB 4.24Å; L422-R476 PolarHBondContact O-NH1 3.23Å; L422-R476 PolarHBondContact O-NH2 3.05Å; Y424-R476 PolarHBondContact O-NH2 3.08Å; D430-R476 IonicContact OD1-CZ 3.34Å; D430-R476 IonicContact OD1-NE 3.8Å; D430-R476 PolarHBondContact OD1-NE 3.11Å; D430-R476 IonicContact OD1-NH2 2.69Å; D430-R476 IonicContact OD2-CZ 2.87Å; D430-R476 IonicContact OD2-NE 2.69Å; D430-R476 PolarHBondContact OD2-NE 3.05Å; D430-R476 IonicContact OD2-NH2 3.16Å; D430-R476 PolarHBondContact OD2-NH2 2.76Å; W431-R476 HydrophobicContact CB-CB 4.5Å; W431-R476 HydrophobicContact CB-CG 4.4Å; Y434-R476 PolarHBondContact OH-NH2 3.08Å; R472-R476 PolarHBondContact O-NH1 3.46Å; S473-R476 PolarHBondContact O-N 3.49Å; R476-S478 PolarHBondContact O-N 2.97Å; R476-S478 VanDerWaalsContact O-N 3.11Å; R476-A479 WeakPolarHBondContact O-CB 2.84Å; R476-A479 PolarHBondContact O-N 3.49Å; R476-A479 VanDerWaalsContact O-N 3.08Å; R476-E514 WeakPolarHBondContact CD-OE1 3.41Å; R476-E514 WeakPolarHBondContact CG-OE1 3.32Å |
| 477 | G | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -16.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | S473 P475 A479 V480 A481 | S473-G477 PolarHBondContact O-N 3.4Å; P475-G477 VanDerWaalsContact C-N 3.31Å; P475-G477 PolarHBondContact O-N 2.86Å; G477-A479 PolarHBondContact O-N 2.89Å; G477-V480 WeakPolarHBondContact O-CB 3.33Å; G477-V480 PolarHBondContact O-N 2.72Å; G477-V480 VanDerWaalsContact O-N 3.15Å; G477-A481 PolarHBondContact O-N 3.41Å |
| 478 | S | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66 | -24.6 | 173.6 | 70.5 | 0 | 0 | 0 | 0 | 113 | P475 R476 V480 A481 E482 V499 | P475-S478 VanDerWaalsContact O-CB 3.22Å; P475-S478 WeakPolarHBondContact O-CB 3.41Å; P475-S478 PolarHBondContact O-N 3.4Å; P475-S478 PolarHBondContact O-OG 3.2Å; R476-S478 PolarHBondContact O-N 2.97Å; R476-S478 VanDerWaalsContact O-N 3.11Å; S478-V480 VanDerWaalsContact C-N 3.34Å; S478-A481 PolarHBondContact O-N 3.33Å; S478-E482 VanDerWaalsContact O-CB 3.32Å; S478-E482 WeakPolarHBondContact O-CB 3.4Å; S478-E482 PolarHBondContact O-N 3.01Å; S478-V499 WeakPolarHBondContact OG-CG2 3.35Å |
| 479 | A | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | W431 R476 G477 E482 R483 F495 | W431-A479 HydrophobicContact CB-CB 4.27Å; W431-A479 HydrophobicContact CE3-CB 4.03Å; R476-A479 WeakPolarHBondContact O-CB 2.84Å; R476-A479 PolarHBondContact O-N 3.49Å; R476-A479 VanDerWaalsContact O-N 3.08Å; G477-A479 PolarHBondContact O-N 2.89Å; A479-E482 PolarHBondContact O-N 3.19Å; A479-R483 WeakPolarHBondContact O-CG 3.35Å; A479-R483 PolarHBondContact O-N 2.87Å; A479-R483 VanDerWaalsContact O-N 3.13Å; A479-F495 HydrophobicContact CB-CE1 4.23Å; A479-F495 HydrophobicContact CB-CZ 4.38Å |
| 480 | V | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.7 | -45.5 | 175.9 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | W420 A457 G477 S478 E482 R483 L484 | W420-V480 HydrophobicContact CB-CG1 4.42Å; W420-V480 HydrophobicContact CB-CG2 3.94Å; W420-V480 HydrophobicContact CD2-CB 4.37Å; W420-V480 HydrophobicContact CD2-CG1 3.54Å; W420-V480 HydrophobicContact CD2-CG2 4.05Å; W420-V480 HydrophobicContact CE3-CG1 3.5Å; W420-V480 VanDerWaalsContact CE3-CG1 3.5Å; W420-V480 HydrophobicContact CG-CB 4.44Å; W420-V480 HydrophobicContact CG-CG1 3.97Å; W420-V480 HydrophobicContact CG-CG2 3.64Å; W420-V480 HydrophobicContact CH2-CG1 4.31Å; W420-V480 HydrophobicContact CZ2-CG1 4.36Å; W420-V480 HydrophobicContact CZ3-CG1 3.89Å; A457-V480 HydrophobicContact CB-CB 4.16Å; A457-V480 HydrophobicContact CB-CG1 4.04Å; A457-V480 HydrophobicContact CB-CG2 4.14Å; G477-V480 WeakPolarHBondContact O-CB 3.33Å; G477-V480 PolarHBondContact O-N 2.72Å; G477-V480 VanDerWaalsContact O-N 3.15Å; S478-V480 VanDerWaalsContact C-N 3.34Å; V480-E482 VanDerWaalsContact C-N 3.3Å; V480-E482 PolarHBondContact O-N 3.11Å; V480-R483 PolarHBondContact O-N 3.25Å; V480-R483 VanDerWaalsContact O-N 3.08Å; V480-L484 HydrophobicContact CG1-CD1 3.72Å; V480-L484 HydrophobicContact CG1-CG 4.39Å; V480-L484 WeakPolarHBondContact O-CG 3.32Å; V480-L484 PolarHBondContact O-N 3.29Å |
| 481 | A | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.3 | -42 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | P27 V194 M196 G477 S478 L484 W485 | P27-A481 HydrophobicContact CG-CB 4.33Å; V194-A481 HydrophobicContact CB-CB 3.93Å; V194-A481 HydrophobicContact CG2-CB 3.9Å; M196-A481 HydrophobicContact CG-CB 3.88Å; M196-A481 HydrophobicContact SD-CB 3.6Å; G477-A481 PolarHBondContact O-N 3.41Å; S478-A481 PolarHBondContact O-N 3.33Å; A481-L484 PolarHBondContact O-N 2.99Å; A481-W485 VanDerWaalsContact O-CB 3.25Å; A481-W485 WeakPolarHBondContact O-CB 3.19Å; A481-W485 PolarHBondContact O-N 3.36Å |
| 482 | E | 98 | Very high | 96 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -41.8 | 175.1 | 179.9 | 82.9 | -167.7 | 0 | 0 | 111.9 | P27 K28 Y435 S478 A479 V480 L484 W485 T486 F495 R498 | P27-E482 WeakPolarHBondContact CA-OE2 3.42Å; K28-E482 WeakPolarHBondContact CB-OE1 3.28Å; K28-E482 PolarHBondContact N-OE1 3.24Å; K28-E482 PolarHBondContact N-OE2 3.34Å; Y435-E482 HydrophobicContact CD2-CG 4.43Å; Y435-E482 HydrophobicContact CE2-CB 4.29Å; Y435-E482 HydrophobicContact CE2-CG 3.61Å; S478-E482 VanDerWaalsContact O-CB 3.32Å; S478-E482 WeakPolarHBondContact O-CB 3.4Å; S478-E482 PolarHBondContact O-N 3.01Å; A479-E482 PolarHBondContact O-N 3.19Å; V480-E482 VanDerWaalsContact C-N 3.3Å; V480-E482 PolarHBondContact O-N 3.11Å; E482-L484 VanDerWaalsContact C-N 3.29Å; E482-L484 PolarHBondContact O-N 3.16Å; E482-W485 PolarHBondContact O-N 3.08Å; E482-T486 VanDerWaalsContact CD-OG1 3.26Å; E482-T486 VanDerWaalsContact O-CB 3.28Å; E482-T486 WeakPolarHBondContact O-CB 3.4Å; E482-T486 PolarHBondContact O-N 2.52Å; E482-T486 PolarHBondContact O-OG1 3.08Å; E482-T486 PolarHBondContact OE1-OG1 3.13Å; E482-T486 VanDerWaalsContact OE1-OG1 3.06Å; E482-F495 HydrophobicContact CB-CD2 4.35Å; E482-F495 HydrophobicContact CB-CE2 3.73Å; E482-F495 HydrophobicContact CB-CZ 4.35Å; E482-F495 HydrophobicContact CG-CD2 3.89Å; E482-F495 HydrophobicContact CG-CE2 3.79Å; E482-R498 IonicContact OE1-CZ 3.59Å; E482-R498 IonicContact OE1-NH1 3.23Å; E482-R498 PolarHBondContact OE1-NH1 3.03Å; E482-R498 IonicContact OE1-NH2 2.7Å; E482-R498 PolarHBondContact OE1-NH2 2.85Å; E482-R498 IonicContact OE2-CZ 2.69Å; E482-R498 IonicContact OE2-NH1 2.74Å; E482-R498 PolarHBondContact OE2-NH1 3.01Å; E482-R498 IonicContact OE2-NH2 3.22Å |
| 483 | R | 97.9 | Very high | 95.9 | Very high | 11 Ų | 11 | 27.9 Ų | 27.9 | 4% | 0.042 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.3 | -28.5 | 177.4 | -66.2 | -50.5 | -67 | 154 | 5.8 | 113.8 | W420 Y435 V437 D438 A479 V480 G488 | W420-R483 HydrophobicContact CZ2-CB 4.13Å; Y435-R483 HydrophobicContact CD2-CG 4.01Å; Y435-R483 WeakPolarHBondContact O-CD 3.48Å; Y435-R483 WeakPolarHBondContact O-CG 3.41Å; Y435-R483 PolarHBondContact O-NE 3.01Å; V437-R483 PolarHBondContact O-NE 2.93Å; V437-R483 VanDerWaalsContact O-NE 3.09Å; D438-R483 IonicContact OD2-NH2 2.88Å; A479-R483 WeakPolarHBondContact O-CG 3.35Å; A479-R483 PolarHBondContact O-N 2.87Å; A479-R483 VanDerWaalsContact O-N 3.13Å; V480-R483 PolarHBondContact O-N 3.25Å; V480-R483 VanDerWaalsContact O-N 3.08Å; R483-G488 PolarHBondContact NH1-O 2.74Å |
| 484 | L | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -86.5 | -14.5 | 178.5 | -70.2 | 171.7 | 0 | 0 | 0 | 113.5 | F165 R168 M196 W420 G455 V480 A481 E482 | F165-L484 HydrophobicContact CB-CD2 4.31Å; F165-L484 HydrophobicContact CD2-CD2 3.9Å; F165-L484 HydrophobicContact CE2-CD2 4.43Å; F165-L484 HydrophobicContact CG-CD2 4.2Å; F165-L484 PolarHBondContact N-O 3.41Å; R168-L484 HydrophobicContact CB-CB 4.2Å; R168-L484 HydrophobicContact CB-CD1 4.2Å; R168-L484 WeakPolarHBondContact CD-O 3.25Å; R168-L484 HydrophobicContact CG-CB 3.82Å; M196-L484 HydrophobicContact CE-CD1 4.2Å; M196-L484 HydrophobicContact SD-CD1 4.41Å; W420-L484 HydrophobicContact CH2-CD1 4.36Å; W420-L484 HydrophobicContact CH2-CD2 3.69Å; W420-L484 HydrophobicContact CH2-CG 3.88Å; W420-L484 HydrophobicContact CZ3-CD1 3.95Å; W420-L484 HydrophobicContact CZ3-CD2 3.78Å; W420-L484 HydrophobicContact CZ3-CG 3.96Å; G455-L484 VanDerWaalsContact O-CD1 3.26Å; G455-L484 WeakPolarHBondContact O-CD1 3.31Å; V480-L484 HydrophobicContact CG1-CD1 3.72Å; V480-L484 HydrophobicContact CG1-CG 4.39Å; V480-L484 WeakPolarHBondContact O-CG 3.32Å; V480-L484 PolarHBondContact O-N 3.29Å; A481-L484 PolarHBondContact O-N 2.99Å; E482-L484 VanDerWaalsContact C-N 3.29Å; E482-L484 PolarHBondContact O-N 3.16Å |
| 485 | W | 98 | Very high | 95.5 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.015 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -107.3 | -47.7 | -178.9 | -174.6 | -82.5 | 0 | 0 | 0 | 113.3 | P27 Y114 H135 D161 G162 P163 L164 K195 A481 E482 | P27-W485 HydrophobicContact CB-CB 3.49Å; P27-W485 VanDerWaalsContact CB-CB 3.49Å; P27-W485 VanDerWaalsContact CB-CD1 3.45Å; P27-W485 HydrophobicContact CB-CD2 4.36Å; P27-W485 HydrophobicContact CB-CG 3.46Å; P27-W485 VanDerWaalsContact CB-CG 3.46Å; P27-W485 HydrophobicContact CG-CB 3.65Å; P27-W485 HydrophobicContact CG-CD2 4.39Å; P27-W485 HydrophobicContact CG-CG 3.8Å; Y114-W485 HydrophobicContact CE1-CH2 4.37Å; Y114-W485 HydrophobicContact CE1-CZ2 4.04Å; H135-W485 HydrophobicContact CB-CH2 4.43Å; H135-W485 AromaticContact CD2-CH2 3.81Å; D161-W485 VanDerWaalsContact CG-NE1 3.31Å; D161-W485 PolarHBondContact OD1-NE1 2.88Å; D161-W485 PolarHBondContact OD2-NE1 3.11Å; G162-W485 VanDerWaalsContact C-CZ2 3.47Å; P163-W485 HydrophobicContact CB-CD2 4.24Å; P163-W485 HydrophobicContact CB-CE3 3.64Å; P163-W485 HydrophobicContact CB-CH2 4.37Å; P163-W485 HydrophobicContact CB-CZ3 3.7Å; P163-W485 HydrophobicContact CG-CZ3 4.14Å; L164-W485 VanDerWaalsContact CB-O 3.31Å; L164-W485 WeakPolarHBondContact CB-O 3.37Å; L164-W485 PolarHBondContact N-O 3.02Å; K195-W485 HydrophobicContact CB-CD2 4.31Å; K195-W485 HydrophobicContact CB-CE3 3.61Å; K195-W485 HydrophobicContact CB-CH2 4.2Å; K195-W485 HydrophobicContact CB-CZ3 3.56Å; K195-W485 HydrophobicContact CD-CD2 3.88Å; K195-W485 HydrophobicContact CD-CE3 3.84Å; K195-W485 HydrophobicContact CD-CH2 3.37Å; K195-W485 HydrophobicContact CD-CZ2 3.37Å; K195-W485 HydrophobicContact CD-CZ3 3.6Å; K195-W485 HydrophobicContact CG-CE3 4.4Å; K195-W485 HydrophobicContact CG-CH2 4.41Å; K195-W485 HydrophobicContact CG-CZ3 4.24Å; A481-W485 VanDerWaalsContact O-CB 3.25Å; A481-W485 WeakPolarHBondContact O-CB 3.19Å; A481-W485 PolarHBondContact O-N 3.36Å; E482-W485 PolarHBondContact O-N 3.08Å |
| 486 | T | 95.8 | Very high | 95.3 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 10% | 0.104 | 19% | 0.194 | C | C | . | . | trans | -88.5 | 129.5 | -167.1 | -53.9 | 0 | 0 | 0 | 0 | 112 | K28 E482 | K28-T486 HydrophobicContact CB-CG2 3.96Å; K28-T486 HydrophobicContact CD-CG2 4.37Å; K28-T486 HydrophobicContact CG-CG2 4.44Å; K28-T486 PolarHBondContact N-OG1 2.96Å; K28-T486 PolarHBondContact O-OG1 3.23Å; K28-T486 VanDerWaalsContact O-OG1 3.14Å; E482-T486 VanDerWaalsContact CD-OG1 3.26Å; E482-T486 VanDerWaalsContact O-CB 3.28Å; E482-T486 WeakPolarHBondContact O-CB 3.4Å; E482-T486 PolarHBondContact O-N 2.52Å; E482-T486 PolarHBondContact O-OG1 3.08Å; E482-T486 PolarHBondContact OE1-OG1 3.13Å; E482-T486 VanDerWaalsContact OE1-OG1 3.06Å | ||
| 487 | E | 89.9 | Confident | 95.1 | Very high | 115 Ų | 115 | 32.3 Ų | 32.3 | 54% | 0.537 | 20% | 0.198 | S | C | . | . | trans | -72 | 142.5 | 168.8 | -79.8 | -169.7 | 176.1 | 0 | 0 | 113.1 | Y30 L164 | Y30-E487 WeakPolarHBondContact CE2-OE2 3.36Å; L164-E487 HydrophobicContact CD1-CG 3.66Å; L164-E487 HydrophobicContact CD2-CG 4.46Å; L164-E487 HydrophobicContact CG-CG 4.42Å | ||
| 488 | G | 88.2 | Confident | 94.9 | Very high | 47 Ų | 47 | 32.6 Ų | 32.6 | 49% | 0.485 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 103.3 | -174.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R483 | R483-G488 PolarHBondContact NH1-O 2.74Š|
| 489 | S | 91 | Very high | 94.7 | Very high | 112 Ų | 112 | 32.6 Ų | 32.6 | 78% | 0.783 | 20% | 0.199 | S | C | * | . | trans | -74.7 | 143.6 | -177.7 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | N491 | S489-N491 PolarHBondContact O-N 3.24Š| ||
| 490 | P | 93.5 | Very high | 94.5 | Very high | 37 Ų | 37 | 36 Ų | 36 | 24% | 0.24 | 22% | 0.216 | C | C | . | . | trans | -61 | 135.2 | 175.9 | 26.1 | -33.3 | 0 | 0 | 0 | 110.5 | Y435 H436 | Y435-P490 HydrophobicContact CD1-CB 3.76Å; Y435-P490 HydrophobicContact CD2-CB 4.36Å; Y435-P490 HydrophobicContact CE1-CB 3.49Å; Y435-P490 VanDerWaalsContact CE1-CB 3.49Å; Y435-P490 HydrophobicContact CE2-CB 4.04Å; Y435-P490 HydrophobicContact CG-CB 4.22Å; Y435-P490 WeakPolarHBondContact O-CB 3.26Å; H436-P490 WeakPolarHBondContact ND1-CG 3.34Å | ||
| 491 | N | 94.4 | Very high | 94.3 | Very high | 78 Ų | 78 | 37.4 Ų | 37.4 | 42% | 0.417 | 22% | 0.222 | S | C | . | . | trans | -122 | 98.9 | 174.5 | -175.6 | -26.3 | 0 | 0 | 0 | 109.1 | Y435 S489 T493 D494 F495 | Y435-N491 PolarHBondContact OH-N 3.08Å; Y435-N491 PolarHBondContact OH-O 2.04Å; S489-N491 PolarHBondContact O-N 3.24Å; N491-T493 PolarHBondContact OD1-N 2.88Å; N491-D494 HydrophobicContact CB-CB 3.95Å; N491-D494 PolarHBondContact O-N 2.84Å; N491-D494 PolarHBondContact OD1-N 2.87Å; N491-F495 WeakPolarHBondContact O-CB 3.49Å; N491-F495 PolarHBondContact O-N 3.44Å | ||
| 492 | T | 94.5 | Very high | 94.1 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 18% | 0.184 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -41.9 | -174.3 | -50.2 | 0 | 0 | 0 | 0 | 111.4 | W431 R432 H436 D494 F495 V496 | W431-T492 HydrophobicContact CH2-CG2 3.83Å; R432-T492 HydrophobicContact CG-CG2 4.34Å; H436-T492 PolarHBondContact CE1-OG1 3.36Å; H436-T492 PolarHBondContact NE2-OG1 3.11Å; T492-D494 PolarHBondContact O-N 3.01Å; T492-F495 PolarHBondContact O-N 2.86Å; T492-F495 VanDerWaalsContact O-N 3.14Å; T492-V496 HydrophobicContact CG2-CG2 4.23Å; T492-V496 VanDerWaalsContact O-CG2 3.28Å; T492-V496 WeakPolarHBondContact O-CG2 3.26Å; T492-V496 PolarHBondContact O-N 2.75Å |
| 493 | T | 93.4 | Very high | 94 | Very high | 126 Ų | 126 | 39.4 Ų | 39.4 | 77% | 0.773 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -59.6 | -35.7 | 177.2 | -51.4 | 0 | 0 | 0 | 0 | 112.4 | N491 P497 | N491-T493 PolarHBondContact OD1-N 2.88Å; T493-P497 WeakPolarHBondContact O-CD 3.49Å |
| 494 | D | 92.3 | Very high | 93.8 | Very high | 51 Ų | 51 | 39.3 Ų | 39.3 | 27% | 0.273 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -77.1 | -35.2 | 175.8 | 175 | 93.4 | 0 | 0 | 0 | 112.8 | K28 N491 T492 R498 | K28-D494 IonicContact NZ-OD1 3.7Å; K28-D494 PolarHBondContact NZ-OD1 2.9Å; K28-D494 IonicContact NZ-OD2 2.91Å; K28-D494 PolarHBondContact NZ-OD2 3.4Å; N491-D494 HydrophobicContact CB-CB 3.95Å; N491-D494 PolarHBondContact O-N 2.84Å; N491-D494 PolarHBondContact OD1-N 2.87Å; T492-D494 PolarHBondContact O-N 3.01Å; D494-R498 WeakPolarHBondContact O-CG 3.46Å; D494-R498 PolarHBondContact O-NE 3.08Å; D494-R498 IonicContact OD2-CZ 3.7Å; D494-R498 IonicContact OD2-NE 3.31Å; D494-R498 PolarHBondContact OD2-NE 2.92Å; D494-R498 VanDerWaalsContact OD2-NE 3.08Å; D494-R498 IonicContact OD2-NH2 2.78Å; D494-R498 PolarHBondContact OD2-NH2 3.18Å |
| 495 | F | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -78.8 | -39 | -174.6 | -174.1 | -106.6 | 0 | 0 | 0 | 113.4 | V26 W431 Y435 A479 E482 N491 T492 R498 V499 | V26-F495 HydrophobicContact CG1-CE2 4.05Å; W431-F495 HydrophobicContact CD2-CE1 4.5Å; W431-F495 AromaticContact CE3-CD1 3.96Å; W431-F495 HydrophobicContact CE3-CD1 3.96Å; W431-F495 AromaticContact CE3-CE1 3.81Å; W431-F495 HydrophobicContact CE3-CE1 3.81Å; W431-F495 AromaticContact CH2-CD1 3.51Å; W431-F495 HydrophobicContact CH2-CD1 3.51Å; W431-F495 HydrophobicContact CH2-CE1 4.14Å; W431-F495 HydrophobicContact CZ2-CD1 4.32Å; W431-F495 AromaticContact CZ3-CD1 3.29Å; W431-F495 HydrophobicContact CZ3-CD1 3.29Å; W431-F495 AromaticContact CZ3-CE1 3.65Å; W431-F495 HydrophobicContact CZ3-CE1 3.65Å; W431-F495 HydrophobicContact CZ3-CG 4.42Å; Y435-F495 HydrophobicContact CE1-CB 3.99Å; Y435-F495 HydrophobicContact CE1-CG 4.35Å; Y435-F495 HydrophobicContact CE2-CD2 4.32Å; Y435-F495 HydrophobicContact CE2-CG 4.24Å; Y435-F495 AromaticContact CZ-CG 3.99Å; A479-F495 HydrophobicContact CB-CE1 4.23Å; A479-F495 HydrophobicContact CB-CZ 4.38Å; E482-F495 HydrophobicContact CB-CD2 4.35Å; E482-F495 HydrophobicContact CB-CE2 3.73Å; E482-F495 HydrophobicContact CB-CZ 4.35Å; E482-F495 HydrophobicContact CG-CD2 3.89Å; E482-F495 HydrophobicContact CG-CE2 3.79Å; N491-F495 WeakPolarHBondContact O-CB 3.49Å; N491-F495 PolarHBondContact O-N 3.44Å; T492-F495 PolarHBondContact O-N 2.86Å; T492-F495 VanDerWaalsContact O-N 3.14Å; F495-R498 WeakPolarHBondContact O-CB 3.39Å; F495-R498 PolarHBondContact O-N 2.96Å; F495-V499 HydrophobicContact CD1-CB 4.3Å; F495-V499 HydrophobicContact CD1-CG1 4.11Å; F495-V499 HydrophobicContact CE1-CB 3.86Å; F495-V499 HydrophobicContact CE1-CG1 3.94Å; F495-V499 HydrophobicContact CE1-CG2 4.15Å; F495-V499 HydrophobicContact CE2-CB 4.48Å; F495-V499 HydrophobicContact CZ-CB 3.95Å; F495-V499 HydrophobicContact CZ-CG2 4.08Å; F495-V499 PolarHBondContact O-N 2.89Å |
| 496 | V | 94.1 | Very high | 93.5 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -45.3 | -58 | -179 | 161.9 | 0 | 0 | 0 | 0 | 113.7 | W431 T492 R498 V499 E500 N517 | W431-V496 HydrophobicContact CH2-CG2 4.01Å; W431-V496 HydrophobicContact CZ2-CG2 3.83Å; T492-V496 HydrophobicContact CG2-CG2 4.23Å; T492-V496 VanDerWaalsContact O-CG2 3.28Å; T492-V496 WeakPolarHBondContact O-CG2 3.26Å; T492-V496 PolarHBondContact O-N 2.75Å; V496-R498 VanDerWaalsContact C-N 3.28Å; V496-R498 PolarHBondContact O-N 2.89Å; V496-V499 WeakPolarHBondContact O-CG1 3.5Å; V496-V499 PolarHBondContact O-N 3.14Å; V496-E500 WeakPolarHBondContact CG1-OE1 3.23Å; V496-E500 WeakPolarHBondContact O-CG 2.99Å; V496-E500 PolarHBondContact O-N 3.02Å; V496-E500 VanDerWaalsContact O-N 3.16Å; V496-N517 HydrophobicContact CG1-CB 4.47Å; V496-N517 PolarHBondContact O-ND2 3.23Å |
| 497 | P | 91.8 | Very high | 93.5 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 11% | 0.11 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.4 | -26 | -178.7 | 27.1 | -35.6 | 0 | 0 | 0 | 113 | T493 E501 | T493-P497 WeakPolarHBondContact O-CD 3.49Å; P497-E501 WeakPolarHBondContact O-CB 3.31Å; P497-E501 PolarHBondContact O-N 3.05Å |
| 498 | R | 94 | Very high | 93.7 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 3% | 0.026 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72 | -40 | 179 | -59.8 | -168.4 | -76.4 | 113.8 | -6.9 | 111.4 | I25 V26 E482 D494 F495 V496 E501 L502 | I25-R498 WeakPolarHBondContact O-CD 3.39Å; I25-R498 PolarHBondContact O-NH1 2.88Å; V26-R498 HydrophobicContact CG2-CB 3.62Å; E482-R498 IonicContact OE1-CZ 3.59Å; E482-R498 IonicContact OE1-NH1 3.23Å; E482-R498 PolarHBondContact OE1-NH1 3.03Å; E482-R498 IonicContact OE1-NH2 2.7Å; E482-R498 PolarHBondContact OE1-NH2 2.85Å; E482-R498 IonicContact OE2-CZ 2.69Å; E482-R498 IonicContact OE2-NH1 2.74Å; E482-R498 PolarHBondContact OE2-NH1 3.01Å; E482-R498 IonicContact OE2-NH2 3.22Å; D494-R498 WeakPolarHBondContact O-CG 3.46Å; D494-R498 PolarHBondContact O-NE 3.08Å; D494-R498 IonicContact OD2-CZ 3.7Å; D494-R498 IonicContact OD2-NE 3.31Å; D494-R498 PolarHBondContact OD2-NE 2.92Å; D494-R498 VanDerWaalsContact OD2-NE 3.08Å; D494-R498 IonicContact OD2-NH2 2.78Å; D494-R498 PolarHBondContact OD2-NH2 3.18Å; F495-R498 WeakPolarHBondContact O-CB 3.39Å; F495-R498 PolarHBondContact O-N 2.96Å; V496-R498 VanDerWaalsContact C-N 3.28Å; V496-R498 PolarHBondContact O-N 2.89Å; R498-E501 PolarHBondContact O-N 3.23Å; R498-L502 PolarHBondContact O-N 3.3Å |
| 499 | V | 94.9 | Very high | 94 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -77.4 | -30.1 | -179.4 | 73.7 | 0 | 0 | 0 | 0 | 112.8 | P475 S478 F495 V496 E501 L502 R503 I516 | P475-V499 HydrophobicContact CB-CG2 3.93Å; P475-V499 HydrophobicContact CG-CG2 4.34Å; S478-V499 WeakPolarHBondContact OG-CG2 3.35Å; F495-V499 HydrophobicContact CD1-CB 4.3Å; F495-V499 HydrophobicContact CD1-CG1 4.11Å; F495-V499 HydrophobicContact CE1-CB 3.86Å; F495-V499 HydrophobicContact CE1-CG1 3.94Å; F495-V499 HydrophobicContact CE1-CG2 4.15Å; F495-V499 HydrophobicContact CE2-CB 4.48Å; F495-V499 HydrophobicContact CZ-CB 3.95Å; F495-V499 HydrophobicContact CZ-CG2 4.08Å; F495-V499 PolarHBondContact O-N 2.89Å; V496-V499 WeakPolarHBondContact O-CG1 3.5Å; V496-V499 PolarHBondContact O-N 3.14Å; V499-E501 VanDerWaalsContact C-N 3.33Å; V499-L502 HydrophobicContact CG2-CD2 4.34Å; V499-L502 WeakPolarHBondContact O-CB 3.24Å; V499-L502 PolarHBondContact O-N 3.34Å; V499-R503 PolarHBondContact O-N 2.91Å; V499-I516 HydrophobicContact CB-CD1 4.35Å; V499-I516 HydrophobicContact CG1-CD1 3.85Å; V499-I516 HydrophobicContact CG1-CG1 4.38Å; V499-I516 HydrophobicContact CG1-CG2 4.07Å; V499-I516 HydrophobicContact CG2-CD1 3.56Å |
| 500 | E | 93.5 | Very high | 94.1 | Very high | 72 Ų | 72 | 32.4 Ų | 32.4 | 34% | 0.336 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 168.9 | -74.4 | 166.9 | -178.1 | 0 | 0 | 111.6 | V496 R503 C504 I516 N517 | V496-E500 WeakPolarHBondContact CG1-OE1 3.23Å; V496-E500 WeakPolarHBondContact O-CG 2.99Å; V496-E500 PolarHBondContact O-N 3.02Å; V496-E500 VanDerWaalsContact O-N 3.16Å; E500-R503 WeakPolarHBondContact O-CB 3.38Å; E500-R503 PolarHBondContact O-N 2.88Å; E500-C504 PolarHBondContact O-N 2.85Å; E500-C504 VanDerWaalsContact O-N 3.11Å; E500-C504 PolarHBondContact O-SG 3.16Å; E500-C504 VanDerWaalsContact O-SG 3.39Å; E500-I516 HydrophobicContact CG-CG2 4.31Å; E500-N517 HydrophobicContact CG-CB 4.32Å; E500-N517 WeakPolarHBondContact OE1-CB 3.46Å; E500-N517 PolarHBondContact OE1-ND2 3.33Å |
| 501 | E | 92.8 | Very high | 94.2 | Very high | 28 Ų | 28 | 31.8 Ų | 31.8 | 13% | 0.131 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.6 | -39 | 177.3 | 175 | 55.8 | -167.3 | 0 | 0 | 112.1 | S24 Q73 Y145 P497 R498 V499 R503 C504 R505 | S24-E501 WeakPolarHBondContact OG-CG 3.4Å; Q73-E501 WeakPolarHBondContact CB-OE1 3.24Å; Q73-E501 WeakPolarHBondContact CG-OE1 3.49Å; Y145-E501 HydrophobicContact CE1-CG 4.4Å; Y145-E501 VanDerWaalsContact CE1-OE1 3.3Å; Y145-E501 WeakPolarHBondContact CE1-OE1 3.3Å; P497-E501 WeakPolarHBondContact O-CB 3.31Å; P497-E501 PolarHBondContact O-N 3.05Å; R498-E501 PolarHBondContact O-N 3.23Å; V499-E501 VanDerWaalsContact C-N 3.33Å; E501-R503 VanDerWaalsContact C-N 3.3Å; E501-R503 PolarHBondContact O-N 3.29Å; E501-C504 PolarHBondContact O-N 2.84Å; E501-R505 WeakPolarHBondContact O-CG 3.47Å; E501-R505 PolarHBondContact O-N 2.77Å; E501-R505 VanDerWaalsContact O-N 3.08Å; E501-R505 IonicContact OE1-CZ 3.92Å; E501-R505 VanDerWaalsContact OE1-CZ 3.24Å; E501-R505 IonicContact OE1-NE 3.34Å; E501-R505 PolarHBondContact OE1-NE 3.1Å; E501-R505 IonicContact OE1-NH2 3.45Å; E501-R505 PolarHBondContact OE1-NH2 3.36Å |
| 502 | L | 95 | Very high | 94.3 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -55.6 | -46.4 | 170.6 | 178.8 | 73.3 | 0 | 0 | 0 | 111.2 | V26 M193 V194 R498 V499 C504 R505 M506 | V26-L502 HydrophobicContact CB-CD1 4.4Å; V26-L502 HydrophobicContact CB-CD2 4.14Å; V26-L502 HydrophobicContact CG1-CD2 3.93Å; V26-L502 HydrophobicContact CG2-CB 4.23Å; V26-L502 HydrophobicContact CG2-CD2 4.49Å; M193-L502 HydrophobicContact CE-CD1 3.5Å; M193-L502 VanDerWaalsContact CE-CD1 3.5Å; M193-L502 HydrophobicContact CG-CD1 4.09Å; M193-L502 HydrophobicContact SD-CD1 3.9Å; V194-L502 HydrophobicContact CG1-CD1 4.11Å; V194-L502 HydrophobicContact CG1-CD2 3.66Å; R498-L502 PolarHBondContact O-N 3.3Å; V499-L502 HydrophobicContact CG2-CD2 4.34Å; V499-L502 WeakPolarHBondContact O-CB 3.24Å; V499-L502 PolarHBondContact O-N 3.34Å; L502-C504 PolarHBondContact O-N 3.41Å; L502-R505 WeakPolarHBondContact O-CB 3.29Å; L502-R505 PolarHBondContact O-N 2.7Å; L502-M506 HydrophobicContact CD1-CE 4.34Å; L502-M506 HydrophobicContact CD2-CE 3.99Å; L502-M506 HydrophobicContact CG-CE 4.01Å; L502-M506 WeakPolarHBondContact O-CG 3.28Å; L502-M506 PolarHBondContact O-N 2.73Å |
| 503 | R | 95.2 | Very high | 94.4 | Very high | 42 Ų | 42 | 32.5 Ų | 32.5 | 16% | 0.158 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58.7 | -46.2 | 177.3 | -175.3 | -160.4 | 168.9 | -106.4 | -4 | 111.7 | P475 V499 E500 E501 R505 M506 L507 A513 E514 C522 | P475-R503 HydrophobicContact CB-CB 4.39Å; P475-R503 HydrophobicContact CG-CB 4.03Å; P475-R503 HydrophobicContact CG-CG 4.17Å; V499-R503 PolarHBondContact O-N 2.91Å; E500-R503 WeakPolarHBondContact O-CB 3.38Å; E500-R503 PolarHBondContact O-N 2.88Å; E501-R503 VanDerWaalsContact C-N 3.3Å; E501-R503 PolarHBondContact O-N 3.29Å; R503-R505 PolarHBondContact O-N 3.23Å; R503-M506 WeakPolarHBondContact O-CB 3.33Å; R503-M506 PolarHBondContact O-N 3.11Å; R503-M506 VanDerWaalsContact O-N 3.1Å; R503-L507 PolarHBondContact O-N 2.85Å; R503-A513 HydrophobicContact CG-CB 3.89Å; R503-A513 PolarHBondContact NE-O 3.06Å; R503-A513 PolarHBondContact NH2-O 3.46Å; R503-E514 WeakPolarHBondContact CD-O 3.27Å; R503-E514 PolarHBondContact NE-O 3.09Å; R503-C522 PolarHBondContact NH1-SG 3.47Å |
| 504 | C | 94.2 | Very high | 94.4 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.4 | -35.1 | 178.6 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | E500 E501 L502 L507 S508 C522 | E500-C504 PolarHBondContact O-N 2.85Å; E500-C504 VanDerWaalsContact O-N 3.11Å; E500-C504 PolarHBondContact O-SG 3.16Å; E500-C504 VanDerWaalsContact O-SG 3.39Å; E501-C504 PolarHBondContact O-N 2.84Å; L502-C504 PolarHBondContact O-N 3.41Å; C504-L507 PolarHBondContact O-N 3.39Å; C504-S508 PolarHBondContact O-N 3.04Å; C504-S508 PolarHBondContact O-OG 3.32Å; C504-C522 WeakPolarHBondContact CA-SG 3.39Å; C504-C522 HydrophobicContact CB-CB 3.6Å; C504-C522 WeakPolarHBondContact CB-SG 3.28Å; C504-C522 VanDerWaalsContact SG-CA 3.53Å; C504-C522 WeakPolarHBondContact SG-CB 3.4Å; C504-C522 CovalentContact SG-SG 2.04Å; C504-C522 PolarHBondContact SG-SG 3.21Å |
| 505 | R | 94.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 31 Ų | 31 | 5% | 0.045 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68 | -39.3 | 173.3 | -68.9 | 168.6 | -178.8 | -86.4 | -3 | 112.1 | Q73 L141 Q142 I144 M193 E501 L502 R503 S508 R509 | Q73-R505 HydrophobicContact CG-CG 3.85Å; L141-R505 PolarHBondContact O-NH1 3.25Å; Q142-R505 PolarHBondContact O-NH2 3.4Å; I144-R505 PolarHBondContact O-NH1 3.14Å; I144-R505 PolarHBondContact O-NH2 2.84Å; M193-R505 HydrophobicContact CE-CB 3.43Å; M193-R505 VanDerWaalsContact CE-CB 3.43Å; E501-R505 WeakPolarHBondContact O-CG 3.47Å; E501-R505 PolarHBondContact O-N 2.77Å; E501-R505 VanDerWaalsContact O-N 3.08Å; E501-R505 IonicContact OE1-CZ 3.92Å; E501-R505 VanDerWaalsContact OE1-CZ 3.24Å; E501-R505 IonicContact OE1-NE 3.34Å; E501-R505 PolarHBondContact OE1-NE 3.1Å; E501-R505 IonicContact OE1-NH2 3.45Å; E501-R505 PolarHBondContact OE1-NH2 3.36Å; L502-R505 WeakPolarHBondContact O-CB 3.29Å; L502-R505 PolarHBondContact O-N 2.7Å; R503-R505 PolarHBondContact O-N 3.23Å; R505-S508 PolarHBondContact O-N 2.87Å; R505-R509 WeakPolarHBondContact O-CG 3.47Å; R505-R509 PolarHBondContact O-N 2.78Å |
| 506 | M | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -44.4 | 173.3 | -68.6 | 176.5 | 167.2 | 0 | 0 | 111.8 | M193 V194 W474 P475 L502 R503 S508 R509 G510 W511 A513 | M193-M506 HydrophobicContact CE-CG 4.31Å; M193-M506 HydrophobicContact SD-CE 4.06Å; M193-M506 HydrophobicContact SD-CG 3.67Å; V194-M506 HydrophobicContact CG1-CE 4.44Å; W474-M506 HydrophobicContact CB-CE 4.29Å; W474-M506 HydrophobicContact CB-SD 3.89Å; W474-M506 HydrophobicContact CD2-CE 4.08Å; W474-M506 HydrophobicContact CE3-CE 3.78Å; W474-M506 HydrophobicContact CG-CE 4.31Å; W474-M506 HydrophobicContact CG-SD 4.46Å; W474-M506 HydrophobicContact CZ3-CE 4.48Å; P475-M506 HydrophobicContact CB-SD 4.33Å; L502-M506 HydrophobicContact CD1-CE 4.34Å; L502-M506 HydrophobicContact CD2-CE 3.99Å; L502-M506 HydrophobicContact CG-CE 4.01Å; L502-M506 WeakPolarHBondContact O-CG 3.28Å; L502-M506 PolarHBondContact O-N 2.73Å; R503-M506 WeakPolarHBondContact O-CB 3.33Å; R503-M506 PolarHBondContact O-N 3.11Å; R503-M506 VanDerWaalsContact O-N 3.1Å; M506-S508 VanDerWaalsContact C-N 3.32Å; M506-S508 PolarHBondContact O-N 3.19Å; M506-R509 WeakPolarHBondContact O-CA 3.41Å; M506-R509 WeakPolarHBondContact O-CB 3.01Å; M506-R509 PolarHBondContact O-N 3.04Å; M506-R509 VanDerWaalsContact O-N 3.08Å; M506-G510 PolarHBondContact O-N 3.35Å; M506-W511 HydrophobicContact CB-CE3 3.96Å; M506-W511 HydrophobicContact CG-CE3 3.93Å; M506-W511 HydrophobicContact CG-CZ3 4.31Å; M506-W511 WeakPolarHBondContact O-CB 3.15Å; M506-W511 PolarHBondContact O-N 2.9Å; M506-W511 VanDerWaalsContact O-N 3.08Å; M506-A513 HydrophobicContact CB-CB 3.86Å; M506-A513 HydrophobicContact SD-CB 3.93Å |
| 507 | L | 95.8 | Very high | 94.4 | Very high | 31 Ų | 31 | 31.8 Ų | 31.8 | 16% | 0.162 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.1 | -36.9 | 176.2 | -67.8 | 169.4 | 0 | 0 | 0 | 112.6 | R503 C504 R509 G510 W511 C522 L524 | R503-L507 PolarHBondContact O-N 2.85Å; C504-L507 PolarHBondContact O-N 3.39Å; L507-R509 PolarHBondContact O-N 3.37Å; L507-G510 WeakPolarHBondContact O-CA 3.42Å; L507-G510 PolarHBondContact O-N 2.9Å; L507-W511 WeakPolarHBondContact CA-O 3.5Å; L507-W511 WeakPolarHBondContact CD2-O 3.28Å; L507-C522 HydrophobicContact CD1-CB 3.96Å; L507-L524 HydrophobicContact CB-CD1 4.42Å; L507-L524 HydrophobicContact CB-CD2 3.44Å; L507-L524 VanDerWaalsContact CB-CD2 3.44Å; L507-L524 HydrophobicContact CD1-CD1 4.5Å; L507-L524 HydrophobicContact CD1-CD2 4.29Å |
| 508 | S | 93.5 | Very high | 94.4 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -23.6 | 175.5 | -55.6 | 0 | 0 | 0 | 0 | 112.6 | L70 Q73 C504 R505 M506 G510 | L70-S508 VanDerWaalsContact O-CB 3.25Å; L70-S508 WeakPolarHBondContact O-CB 3.31Å; Q73-S508 PolarHBondContact NE2-OG 2.96Å; C504-S508 PolarHBondContact O-N 3.04Å; C504-S508 PolarHBondContact O-OG 3.32Å; R505-S508 PolarHBondContact O-N 2.87Å; M506-S508 VanDerWaalsContact C-N 3.32Å; M506-S508 PolarHBondContact O-N 3.19Å; S508-G510 VanDerWaalsContact C-N 3.25Å |
| 509 | R | 94 | Very high | 94.2 | Very high | 37 Ų | 37 | 39.7 Ų | 39.7 | 14% | 0.14 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83 | 4.1 | 170.6 | -63.5 | 176.5 | -175.2 | -173 | 3.7 | 113.4 | L70 E138 M193 R505 M506 L507 W511 | L70-R509 HydrophobicContact CD1-CG 4.22Å; E138-R509 IonicContact OE1-CZ 2.61Å; E138-R509 IonicContact OE1-NH1 3.33Å; E138-R509 IonicContact OE1-NH2 3.68Å; E138-R509 PolarHBondContact OE1-NH2 3.19Å; E138-R509 IonicContact OE2-CZ 3.53Å; E138-R509 IonicContact OE2-NH1 3.1Å; E138-R509 IonicContact OE2-NH2 2.62Å; E138-R509 PolarHBondContact OE2-NH2 3.47Å; E138-R509 VanDerWaalsContact OE2-NH2 3.13Å; M193-R509 PolarHBondContact SD-NH1 3.45Å; R505-R509 WeakPolarHBondContact O-CG 3.47Å; R505-R509 PolarHBondContact O-N 2.78Å; M506-R509 WeakPolarHBondContact O-CA 3.41Å; M506-R509 WeakPolarHBondContact O-CB 3.01Å; M506-R509 PolarHBondContact O-N 3.04Å; M506-R509 VanDerWaalsContact O-N 3.08Å; L507-R509 PolarHBondContact O-N 3.37Å; R509-W511 VanDerWaalsContact C-N 3.35Å; R509-W511 HydrophobicContact CB-CD2 3.81Å; R509-W511 HydrophobicContact CB-CE3 4.14Å; R509-W511 HydrophobicContact CB-CG 4.25Å; R509-W511 HydrophobicContact CB-CH2 4.43Å; R509-W511 HydrophobicContact CB-CZ2 4.07Å; R509-W511 HydrophobicContact CB-CZ3 4.45Å; R509-W511 VanDerWaalsContact CD-CH2 3.43Å; R509-W511 PolarHBondContact O-NE1 3.47Å |
| 510 | G | 94.3 | Very high | 94 | Very high | 60 Ų | 60 | 43 Ų | 43 | 62% | 0.619 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | 18 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M506 L507 S508 | M506-G510 PolarHBondContact O-N 3.35Å; L507-G510 WeakPolarHBondContact O-CA 3.42Å; L507-G510 PolarHBondContact O-N 2.9Å; S508-G510 VanDerWaalsContact C-N 3.25Å |
| 511 | W | 96.2 | Very high | 93.7 | Very high | 25 Ų | 25 | 47.2 Ų | 47.2 | 10% | 0.095 | 29% | 0.289 | C | S | . | . | trans | -99.9 | 129.9 | -179.7 | -49.1 | -27.3 | 0 | 0 | 0 | 111.4 | K186 D189 M193 F470 M506 L507 R509 A513 | K186-W511 HydrophobicContact CD-CG 4.23Å; K186-W511 HydrophobicContact CG-CD2 4.46Å; K186-W511 HydrophobicContact CG-CG 4.08Å; D189-W511 HydrophobicContact CB-CH2 3.68Å; D189-W511 HydrophobicContact CB-CZ2 3.54Å; M193-W511 HydrophobicContact SD-CZ3 3.85Å; F470-W511 HydrophobicContact CD1-CB 4.07Å; F470-W511 HydrophobicContact CE1-CB 3.39Å; F470-W511 HydrophobicContact CE1-CG 4.31Å; F470-W511 HydrophobicContact CE2-CB 4.05Å; F470-W511 HydrophobicContact CE2-CD2 4.25Å; F470-W511 HydrophobicContact CE2-CE3 4.31Å; F470-W511 HydrophobicContact CE2-CG 4.18Å; F470-W511 HydrophobicContact CZ-CB 3.38Å; F470-W511 AromaticContact CZ-CD2 3.87Å; F470-W511 HydrophobicContact CZ-CD2 3.87Å; F470-W511 AromaticContact CZ-CE3 3.68Å; F470-W511 HydrophobicContact CZ-CE3 3.68Å; F470-W511 AromaticContact CZ-CG 3.8Å; F470-W511 HydrophobicContact CZ-CG 3.8Å; M506-W511 HydrophobicContact CB-CE3 3.96Å; M506-W511 HydrophobicContact CG-CE3 3.93Å; M506-W511 HydrophobicContact CG-CZ3 4.31Å; M506-W511 WeakPolarHBondContact O-CB 3.15Å; M506-W511 PolarHBondContact O-N 2.9Å; M506-W511 VanDerWaalsContact O-N 3.08Å; L507-W511 WeakPolarHBondContact CA-O 3.5Å; L507-W511 WeakPolarHBondContact CD2-O 3.28Å; R509-W511 VanDerWaalsContact C-N 3.35Å; R509-W511 HydrophobicContact CB-CD2 3.81Å; R509-W511 HydrophobicContact CB-CE3 4.14Å; R509-W511 HydrophobicContact CB-CG 4.25Å; R509-W511 HydrophobicContact CB-CH2 4.43Å; R509-W511 HydrophobicContact CB-CZ2 4.07Å; R509-W511 HydrophobicContact CB-CZ3 4.45Å; R509-W511 VanDerWaalsContact CD-CH2 3.43Å; R509-W511 PolarHBondContact O-NE1 3.47Å; W511-A513 PolarHBondContact O-N 3.27Å | ||
| 512 | N | 95 | Very high | 93.6 | Very high | 120 Ų | 120 | 46.8 Ų | 46.8 | 64% | 0.642 | 29% | 0.289 | S | S | * | . | trans | -77.6 | 62.5 | -174.7 | -64.9 | -30.4 | 0 | 0 | 0 | 112.7 | S471 | S471-N512 WeakPolarHBondContact CA-O 3.47Å; S471-N512 WeakPolarHBondContact CB-O 3.22Å | ||
| 513 | A | 96.5 | Very high | 92.7 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 3% | 0.025 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 129.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | F470 W474 R503 M506 W511 | F470-A513 HydrophobicContact CE1-CB 4.11Å; W474-A513 WeakPolarHBondContact O-CA 3.3Å; R503-A513 HydrophobicContact CG-CB 3.89Å; R503-A513 PolarHBondContact NE-O 3.06Å; R503-A513 PolarHBondContact NH2-O 3.46Å; M506-A513 HydrophobicContact CB-CB 3.86Å; M506-A513 HydrophobicContact SD-CB 3.93Å; W511-A513 PolarHBondContact O-N 3.27Å |
| 514 | E | 94.7 | Very high | 91.8 | Very high | 60 Ų | 60 | 53 Ų | 53 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 156.9 | -177.4 | 73.7 | -176.9 | 165.3 | 0 | 0 | 112.5 | S471 W474 P475 R476 R503 | S471-E514 WeakPolarHBondContact O-CG 3.32Å; W474-E514 PolarHBondContact O-N 3.33Å; P475-E514 WeakPolarHBondContact CD-O 3.35Å; R476-E514 WeakPolarHBondContact CD-OE1 3.41Å; R476-E514 WeakPolarHBondContact CG-OE1 3.32Å; R503-E514 WeakPolarHBondContact CD-O 3.27Å; R503-E514 PolarHBondContact NE-O 3.09Å |
| 515 | P | 94.2 | Very high | 91.7 | Very high | 84 Ų | 84 | 55.1 Ų | 55.1 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 139 | 168.4 | -21.2 | 33.6 | 0 | 0 | 0 | 111.9 | ||
| 516 | I | 92.9 | Very high | 91.6 | Very high | 12 Ų | 12 | 57.4 Ų | 57.4 | 6% | 0.062 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -113.3 | -26.4 | -171.2 | -175.7 | 160.6 | 0 | 0 | 0 | 115.6 | W431 P475 V499 E500 | W431-I516 HydrophobicContact CB-CD1 4.44Å; W431-I516 HydrophobicContact CD2-CD1 4.28Å; W431-I516 HydrophobicContact CG-CD1 3.86Å; W431-I516 HydrophobicContact CG-CG1 4.03Å; W431-I516 VanDerWaalsContact NE1-CG1 3.29Å; W431-I516 PolarHBondContact NE1-O 3.47Å; P475-I516 HydrophobicContact CB-CD1 4.25Å; P475-I516 HydrophobicContact CG-CB 3.61Å; P475-I516 HydrophobicContact CG-CD1 3.64Å; P475-I516 HydrophobicContact CG-CG1 4.14Å; P475-I516 HydrophobicContact CG-CG2 3.88Å; V499-I516 HydrophobicContact CB-CD1 4.35Å; V499-I516 HydrophobicContact CG1-CD1 3.85Å; V499-I516 HydrophobicContact CG1-CG1 4.38Å; V499-I516 HydrophobicContact CG1-CG2 4.07Å; V499-I516 HydrophobicContact CG2-CD1 3.56Å; E500-I516 HydrophobicContact CG-CG2 4.31Å |
| 517 | N | 93.3 | Very high | 91.3 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 19% | 0.193 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -130.5 | 34.6 | -173.9 | -71.2 | -46.2 | 0 | 0 | 0 | 112.3 | W431 R432 V496 E500 | W431-N517 VanDerWaalsContact CZ2-OD1 3.25Å; W431-N517 WeakPolarHBondContact CZ2-OD1 3.44Å; W431-N517 PolarHBondContact NE1-OD1 3.35Å; R432-N517 PolarHBondContact NH1-OD1 3.16Å; R432-N517 VanDerWaalsContact NH1-OD1 3.08Å; V496-N517 HydrophobicContact CG1-CB 4.47Å; V496-N517 PolarHBondContact O-ND2 3.23Å; E500-N517 HydrophobicContact CG-CB 4.32Å; E500-N517 WeakPolarHBondContact OE1-CB 3.46Å; E500-N517 PolarHBondContact OE1-ND2 3.33Å |
| 518 | G | 91.2 | Very high | 91.1 | Very high | 46 Ų | 46 | 62.3 Ų | 62.3 | 47% | 0.474 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 86.8 | -156.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 519 | P | 91.4 | Very high | 90.9 | Very high | 144 Ų | 144 | 65.6 Ų | 65.6 | 94% | 0.935 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -60.7 | 135.8 | -176.4 | -22.4 | 33.3 | 0 | 0 | 0 | 112.5 | ||
| 520 | G | 89.5 | Confident | 90.7 | Very high | 70 Ų | 70 | 67.5 Ų | 67.5 | 72% | 0.722 | 43% | 0.426 | S | S | * | . | trans | -175.4 | -173.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 521 | F | 88.6 | Confident | 90.5 | Very high | 159 Ų | 159 | 68.1 Ų | 68.1 | 70% | 0.697 | 41% | 0.412 | S | S | * | . | trans | -144.1 | 163.2 | 177.3 | 68.9 | -87.1 | 0 | 0 | 0 | 110.6 | ||||
| 522 | C | 88.9 | Confident | 90 | Very high | 20 Ų | 20 | 71.4 Ų | 71.4 | 14% | 0.135 | 44% | 0.436 | C | S | . | . | trans | -127.3 | 138.3 | 168.7 | -68.2 | 0 | 0 | 0 | 0 | 108.6 | R503 C504 L507 L524 | R503-C522 PolarHBondContact NH1-SG 3.47Å; C504-C522 WeakPolarHBondContact CA-SG 3.39Å; C504-C522 HydrophobicContact CB-CB 3.6Å; C504-C522 WeakPolarHBondContact CB-SG 3.28Å; C504-C522 VanDerWaalsContact SG-CA 3.53Å; C504-C522 WeakPolarHBondContact SG-CB 3.4Å; C504-C522 CovalentContact SG-SG 2.04Å; C504-C522 PolarHBondContact SG-SG 3.21Å; L507-C522 HydrophobicContact CD1-CB 3.96Å; C522-L524 HydrophobicContact CB-CD2 4.2Å; C522-L524 HydrophobicContact CB-CG 4.38Å; C522-L524 PolarHBondContact O-N 3.46Å | ||
| 523 | P | 77.6 | Confident | 89.6 | Confident | 42 Ų | 42 | 67.3 Ų | 67.3 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | trans | -67.3 | 113.1 | 168 | 28.5 | -31.5 | 0 | 0 | 0 | 108.3 | K72 Y74 | K72-P523 WeakPolarHBondContact O-CG 3.34Å; Y74-P523 HydrophobicContact CD2-CB 4.29Å; Y74-P523 HydrophobicContact CD2-CG 4.25Å; Y74-P523 HydrophobicContact CE2-CB 4.07Å; Y74-P523 HydrophobicContact CE2-CG 4.48Å | ||
| 524 | L | 76.4 | Confident | 89 | Confident | 132 Ų | 132 | 73.2 Ų | 73.2 | 69% | 0.691 | 46% | 0.455 | S | S | * | . | trans | -115.2 | 0 | 179.2 | -62.4 | -176.7 | 0 | 0 | 0 | 111.8 | K72 L507 C522 | K72-L524 WeakPolarHBondContact CD-OXT 3.31Å; K72-L524 WeakPolarHBondContact CE-OXT 3.34Å; K72-L524 PolarHBondContact NZ-OXT 2.89Å; L507-L524 HydrophobicContact CB-CD1 4.42Å; L507-L524 HydrophobicContact CB-CD2 3.44Å; L507-L524 VanDerWaalsContact CB-CD2 3.44Å; L507-L524 HydrophobicContact CD1-CD1 4.5Å; L507-L524 HydrophobicContact CD1-CD2 4.29Å; C522-L524 HydrophobicContact CB-CD2 4.2Å; C522-L524 HydrophobicContact CB-CG 4.38Å; C522-L524 PolarHBondContact O-N 3.46Å |
Retrieved 524 of 524 residues in 716 ms
(Link to these results)