| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.8 | Very low | 76.2 | Confident | 244 Ų | 244 | 88.3 Ų | 88.3 | 100% | 1.202 | 48% | 0.476 | S | S | * | . | 0 | 120.7 | 0 | -69.8 | 176.9 | 174.4 | 0 | 0 | 105.8 | |||||
| 2 | S | 44.2 | Very low | 77.9 | Confident | 95 Ų | 95 | 81 Ų | 81 | 66% | 0.664 | 44% | 0.437 | S | S | * | . | trans | -61 | 137.5 | -167 | 40.9 | 0 | 0 | 0 | 0 | 112.8 | G4 | S2-G4 PolarHBondContact O-N 3.19Š| ||
| 3 | D | 56.8 | Low | 79.2 | Confident | 150 Ų | 150 | 74.8 Ų | 74.8 | 80% | 0.802 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -67 | 18.1 | -178.5 | -147.1 | 14.2 | 0 | 0 | 0 | 114.3 | ||
| 4 | G | 57.5 | Low | 80.3 | Confident | 57 Ų | 57 | 69.6 Ų | 69.6 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | trans | -135.2 | 27.5 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S2 | S2-G4 PolarHBondContact O-N 3.19Š| ||
| 5 | D | 82.9 | Confident | 81.2 | Confident | 85 Ų | 85 | 64.9 Ų | 64.9 | 46% | 0.455 | 35% | 0.351 | S | S | . | . | trans | -107.8 | 26.4 | -174.7 | -132.3 | 7.9 | 0 | 0 | 0 | 114.3 | R67 | D5-R67 PolarHBondContact O-NH1 3.13Å; D5-R67 IonicContact OD1-CZ 3.85Å; D5-R67 IonicContact OD1-NH1 2.63Å; D5-R67 PolarHBondContact OD1-NH1 3.39Å | ||
| 6 | Y | 88.2 | Confident | 82 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 26% | 0.255 | 33% | 0.329 | S | S | . | . | trans | -135 | 152.7 | 172.3 | 61.5 | -96.6 | 0 | 0 | 0 | 110.4 | Y8 L9 H69 | Y6-Y8 VanDerWaalsContact CD2-C 3.49Å; Y6-Y8 WeakPolarHBondContact CD2-O 3.25Å; Y6-L9 HydrophobicContact CD2-CB 4.47Å; Y6-L9 HydrophobicContact CE2-CB 3.73Å; Y6-H69 HydrophobicContact CD1-CB 3.6Å; Y6-H69 AromaticContact CD1-CG 3.98Å; Y6-H69 AromaticContact CD1-ND1 3.6Å; Y6-H69 HydrophobicContact CD2-CB 3.92Å; Y6-H69 HydrophobicContact CE1-CB 4.05Å; Y6-H69 AromaticContact CE1-ND1 3.7Å; Y6-H69 HydrophobicContact CE2-CB 4.35Å; Y6-H69 HydrophobicContact CG-CB 3.52Å | ||
| 7 | D | 90.1 | Very high | 82.6 | Confident | 64 Ų | 64 | 58.9 Ų | 58.9 | 34% | 0.342 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -91 | -32.4 | -178.9 | -49.9 | -44.3 | 0 | 0 | 0 | 110.7 | R67 | D7-R67 PolarHBondContact N-O 3.27Å; D7-R67 IonicContact OD1-CZ 2.75Å; D7-R67 IonicContact OD1-NE 2.67Å; D7-R67 PolarHBondContact OD1-NE 2.88Å; D7-R67 IonicContact OD1-NH2 2.7Å; D7-R67 PolarHBondContact OD1-NH2 3.08Å; D7-R67 WeakPolarHBondContact OD2-CB 3.48Å; D7-R67 PolarHBondContact OD2-N 3.4Å; D7-R67 IonicContact OD2-NE 3.94Å; D7-R67 PolarHBondContact OD2-NE 3.48Å |
| 8 | Y | 92.3 | Very high | 83.1 | Confident | 91 Ų | 91 | 58.3 Ų | 58.3 | 36% | 0.357 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 139.8 | 177.4 | -57.3 | -87.8 | 0 | 0 | 0 | 112 | Y6 Q66 R67 I68 H69 M182 M185 | Y6-Y8 VanDerWaalsContact CD2-C 3.49Å; Y6-Y8 WeakPolarHBondContact CD2-O 3.25Å; Y8-Q66 HydrophobicContact CD2-CB 4.24Å; Y8-Q66 HydrophobicContact CE2-CB 4.1Å; Y8-Q66 HydrophobicContact CE2-CG 3.96Å; Y8-R67 PolarHBondContact N-O 3.44Å; Y8-I68 HydrophobicContact CD2-CD1 3.6Å; Y8-I68 HydrophobicContact CG-CD1 4.06Å; Y8-I68 WeakPolarHBondContact O-CA 3.33Å; Y8-H69 PolarHBondContact O-N 2.97Å; Y8-M182 HydrophobicContact CD2-CE 4.01Å; Y8-M182 HydrophobicContact CE2-CE 4.13Å; Y8-M182 HydrophobicContact CG-CE 4.41Å; Y8-M185 HydrophobicContact CD1-SD 4.21Å |
| 9 | L | 94.2 | Very high | 83.6 | Confident | 60 Ų | 60 | 56.7 Ų | 56.7 | 31% | 0.314 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.9 | 164.9 | 176.7 | 62.1 | 0 | 0 | 0 | 108.5 | Y6 H69 Q71 | Y6-L9 HydrophobicContact CD2-CB 4.47Å; Y6-L9 HydrophobicContact CE2-CB 3.73Å; L9-H69 WeakPolarHBondContact CA-O 3.41Å; L9-H69 HydrophobicContact CD1-CB 4.19Å; L9-H69 VanDerWaalsContact CD1-O 3.27Å; L9-H69 WeakPolarHBondContact CD1-O 3.39Å; L9-Q71 HydrophobicContact CD1-CG 3.79Å |
| 10 | I | 95 | Very high | 84.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.2 | -178.6 | -58.6 | -66.1 | 0 | 0 | 0 | 109.3 | F12 I68 H69 V70 Q71 M93 L178 I181 M182 M185 | I10-F12 HydrophobicContact CG2-CD1 3.87Å; I10-F12 HydrophobicContact CG2-CE1 3.14Å; I10-F12 HydrophobicContact CG2-CZ 3.58Å; I10-I68 HydrophobicContact CB-CG2 3.98Å; I10-I68 HydrophobicContact CG1-CG2 3.46Å; I10-I68 VanDerWaalsContact CG1-CG2 3.46Å; I10-H69 PolarHBondContact N-O 3.36Å; I10-V70 CarbonylContact O-C 3.59Å; I10-V70 WeakPolarHBondContact O-CA 3.32Å; I10-Q71 PolarHBondContact O-N 3.21Å; I10-M93 HydrophobicContact CB-SD 4.5Å; I10-M93 HydrophobicContact CD1-CE 4.26Å; I10-M93 HydrophobicContact CD1-SD 3.86Å; I10-M93 HydrophobicContact CG2-SD 4.28Å; I10-L178 HydrophobicContact CG1-CD1 4.18Å; I10-L178 HydrophobicContact CG2-CD1 4.27Å; I10-I181 HydrophobicContact CD1-CG2 4.12Å; I10-I181 HydrophobicContact CG2-CG2 4.46Å; I10-M182 HydrophobicContact CD1-SD 4.3Å; I10-M185 HydrophobicContact CD1-CE 3.26Å; I10-M185 HydrophobicContact CD1-SD 4.07Å |
| 11 | K | 94.8 | Very high | 84.8 | Confident | 60 Ų | 60 | 52 Ų | 52 | 26% | 0.261 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 118.1 | -178.2 | -61.3 | 179.4 | 179.5 | 179.7 | 0 | 110.8 | Q71 D91 M93 G94 | K11-Q71 CarbonylContact C-O 3.58Å; K11-Q71 WeakPolarHBondContact CA-O 2.99Å; K11-Q71 HydrophobicContact CG-CB 4.2Å; K11-D91 WeakPolarHBondContact CD-O 3.28Å; K11-M93 HydrophobicContact CB-CG 4.39Å; K11-M93 WeakPolarHBondContact O-CB 3.16Å; K11-M93 PolarHBondContact O-N 3.3Å; K11-G94 PolarHBondContact O-N 2.69Å |
| 12 | F | 95.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 148.8 | 170.5 | -58.2 | -25.3 | 0 | 0 | 0 | 111.1 | I10 V70 Q71 L72 W73 G94 V174 L177 L178 I181 | I10-F12 HydrophobicContact CG2-CD1 3.87Å; I10-F12 HydrophobicContact CG2-CE1 3.14Å; I10-F12 HydrophobicContact CG2-CZ 3.58Å; F12-V70 HydrophobicContact CD2-CG1 3.73Å; F12-V70 HydrophobicContact CE2-CG1 3.8Å; F12-V70 HydrophobicContact CG-CG1 4.44Å; F12-Q71 PolarHBondContact N-O 3.03Å; F12-L72 HydrophobicContact CB-CD2 4.21Å; F12-L72 HydrophobicContact CD2-CD2 3.87Å; F12-W73 WeakPolarHBondContact O-CB 3.29Å; F12-W73 PolarHBondContact O-N 3.47Å; F12-G94 VanDerWaalsContact CA-O 3.29Å; F12-G94 WeakPolarHBondContact CA-O 3.26Å; F12-V174 HydrophobicContact CD2-CG1 4.06Å; F12-V174 HydrophobicContact CE2-CG1 3.79Å; F12-L177 HydrophobicContact CB-CD2 4.33Å; F12-L177 HydrophobicContact CD1-CD2 3.85Å; F12-L177 HydrophobicContact CD1-CG 4.2Å; F12-L177 HydrophobicContact CD2-CD2 4.01Å; F12-L177 HydrophobicContact CE1-CD2 4.17Å; F12-L177 HydrophobicContact CE1-CG 4.03Å; F12-L177 HydrophobicContact CE2-CD2 4.29Å; F12-L177 HydrophobicContact CE2-CG 4.42Å; F12-L177 HydrophobicContact CG-CD2 3.8Å; F12-L177 HydrophobicContact CZ-CD2 4.37Å; F12-L177 HydrophobicContact CZ-CG 4.14Å; F12-L178 HydrophobicContact CE2-CB 4.36Å; F12-L178 HydrophobicContact CZ-CB 3.92Å; F12-L178 HydrophobicContact CZ-CD1 4.05Å; F12-I181 HydrophobicContact CD1-CD1 3.95Å; F12-I181 HydrophobicContact CE1-CD1 3.28Å; F12-I181 HydrophobicContact CZ-CD1 4.18Å |
| 13 | L | 94.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.5 | 176.7 | -170.6 | 68.8 | 0 | 0 | 0 | 110.1 | L15 W73 T75 F88 F89 A92 G94 F95 L96 | L13-L15 HydrophobicContact CD2-CD1 4.34Å; L13-L15 HydrophobicContact CD2-CD2 3.8Å; L13-L15 HydrophobicContact CD2-CG 4.22Å; L13-L15 HydrophobicContact CG-CD2 3.93Å; L13-L15 HydrophobicContact CG-CG 4.18Å; L13-W73 HydrophobicContact CD1-CB 3.3Å; L13-W73 HydrophobicContact CD1-CG 4.31Å; L13-T75 HydrophobicContact CD1-CG2 3.31Å; L13-T75 HydrophobicContact CD2-CG2 4.33Å; L13-T75 HydrophobicContact CG-CG2 3.87Å; L13-F88 HydrophobicContact CD1-CB 4.35Å; L13-F88 HydrophobicContact CD2-CB 4.35Å; L13-F89 HydrophobicContact CD2-CD1 3.4Å; L13-F89 VanDerWaalsContact CD2-CD1 3.4Å; L13-F89 HydrophobicContact CD2-CE1 3.63Å; L13-A92 HydrophobicContact CB-CB 3.75Å; L13-A92 HydrophobicContact CD2-CB 4.37Å; L13-G94 PolarHBondContact N-O 2.93Å; L13-F95 HydrophobicContact CB-CD1 3.9Å; L13-F95 HydrophobicContact CB-CE1 4.16Å; L13-F95 HydrophobicContact CD2-CD1 4.13Å; L13-F95 HydrophobicContact CD2-CE1 3.88Å; L13-F95 HydrophobicContact CG-CD1 4.49Å; L13-F95 WeakPolarHBondContact O-CA 3.43Å; L13-L96 PolarHBondContact O-N 3.3Å |
| 14 | A | 95.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.008 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 128.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | K22 L26 W73 T75 L96 | A14-K22 HydrophobicContact CB-CB 4.14Å; A14-K22 HydrophobicContact CB-CD 4.34Å; A14-K22 HydrophobicContact CB-CG 4.37Å; A14-L26 HydrophobicContact CB-CD1 3.91Å; A14-L26 HydrophobicContact CB-CD2 4.41Å; A14-L26 HydrophobicContact CB-CG 4.29Å; A14-W73 PolarHBondContact N-O 2.82Å; A14-T75 PolarHBondContact O-OG1 3.46Å; A14-L96 CarbonylContact C-O 3.31Å; A14-L96 WeakPolarHBondContact CA-O 3.44Å |
| 15 | L | 93.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 160.3 | -176.8 | -61.9 | 177.4 | 0 | 0 | 0 | 111.6 | L13 K22 T75 T85 F89 F95 L96 L97 L98 W113 L117 | L13-L15 HydrophobicContact CD2-CD1 4.34Å; L13-L15 HydrophobicContact CD2-CD2 3.8Å; L13-L15 HydrophobicContact CD2-CG 4.22Å; L13-L15 HydrophobicContact CG-CD2 3.93Å; L13-L15 HydrophobicContact CG-CG 4.18Å; L15-K22 VanDerWaalsContact C-CD 3.47Å; L15-T75 HydrophobicContact CD2-CG2 3.98Å; L15-T85 HydrophobicContact CD2-CG2 3.98Å; L15-F89 HydrophobicContact CD1-CE1 3.82Å; L15-F89 HydrophobicContact CD1-CZ 3.79Å; L15-F89 HydrophobicContact CD2-CE1 3.51Å; L15-F89 HydrophobicContact CD2-CZ 3.89Å; L15-F89 HydrophobicContact CG-CE1 4.32Å; L15-F95 HydrophobicContact CD1-CD1 3.69Å; L15-F95 HydrophobicContact CD1-CE1 4.36Å; L15-F95 HydrophobicContact CD1-CG 4.48Å; L15-F95 HydrophobicContact CG-CD1 4.49Å; L15-L96 PolarHBondContact N-O 3.18Å; L15-L97 HydrophobicContact CB-CD1 4.02Å; L15-L98 PolarHBondContact O-N 3.26Å; L15-W113 HydrophobicContact CB-CE3 4.48Å; L15-W113 HydrophobicContact CD2-CZ3 4.47Å; L15-L117 HydrophobicContact CD1-CD1 4.06Å; L15-L117 HydrophobicContact CD1-CD2 3.45Å; L15-L117 VanDerWaalsContact CD1-CD2 3.45Å; L15-L117 HydrophobicContact CD1-CG 3.92Å |
| 16 | G | 94.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | 133.5 | 170.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K22 G77 L98 | G16-K22 PolarHBondContact O-NZ 2.65Å; G16-G77 WeakPolarHBondContact O-CA 3.39Å; G16-L98 WeakPolarHBondContact CA-O 3.23Å | ||
| 17 | D | 92.9 | Very high | 94.4 | Very high | 27 Ų | 27 | 26.8 Ų | 26.8 | 14% | 0.144 | 15% | 0.146 | C | C | . | . | trans | -62.8 | 164.8 | -175.5 | -73.5 | 5.5 | 0 | 0 | 0 | 113 | V20 K22 N109 W113 | D17-V20 HydrophobicContact CB-CG1 3.83Å; D17-V20 VanDerWaalsContact O-CG2 3.24Å; D17-V20 WeakPolarHBondContact O-CG2 3.26Å; D17-K22 PolarHBondContact O-NZ 2.84Å; D17-N109 PolarHBondContact OD2-ND2 3.32Å; D17-W113 PolarHBondContact OD1-NE1 3.43Å | ||
| 18 | S | 91.4 | Very high | 94.7 | Very high | 49 Ų | 49 | 24.5 Ų | 24.5 | 34% | 0.343 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 140.5 | 171 | -168.3 | 0 | 0 | 0 | 0 | 110.2 | V20 G77 | S18-V20 VanDerWaalsContact C-N 3.3Å; S18-V20 PolarHBondContact O-N 3.01Å; S18-G77 PolarHBondContact N-O 3.26Å |
| 19 | G | 92.6 | Very high | 95 | Very high | 27 Ų | 27 | 20.2 Ų | 20.2 | 28% | 0.278 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | -8.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | G21 K134 | G19-G21 PolarHBondContact O-N 3.09Å; G19-K134 WeakPolarHBondContact O-CE 3.49Å; G19-K134 PolarHBondContact O-NZ 3.21Å |
| 20 | V | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -71 | -14.5 | -179.8 | -53.5 | 0 | 0 | 0 | 0 | 113.9 | D17 S18 K22 L98 D100 N133 | D17-V20 HydrophobicContact CB-CG1 3.83Å; D17-V20 VanDerWaalsContact O-CG2 3.24Å; D17-V20 WeakPolarHBondContact O-CG2 3.26Å; S18-V20 VanDerWaalsContact C-N 3.3Å; S18-V20 PolarHBondContact O-N 3.01Å; V20-K22 HydrophobicContact CG2-CG 3.83Å; V20-L98 HydrophobicContact CG2-CB 3.86Å; V20-D100 HydrophobicContact CB-CB 4.15Å; V20-D100 HydrophobicContact CG1-CB 4.08Å; V20-N133 PolarHBondContact O-ND2 3.09Å |
| 21 | G | 95.7 | Very high | 95 | Very high | 14 Ų | 14 | 22 Ų | 22 | 14% | 0.144 | 13% | 0.127 | C | C | . | . | trans | 99.5 | 25.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116 | G19 T23 S24 F25 | G19-G21 PolarHBondContact O-N 3.09Å; G21-T23 PolarHBondContact O-N 2.87Å; G21-S24 PolarHBondContact O-N 2.79Å; G21-F25 VanDerWaalsContact O-CB 3.28Å; G21-F25 WeakPolarHBondContact O-CB 3.2Å; G21-F25 PolarHBondContact O-N 3.42Å | ||
| 22 | K | 95.6 | Very high | 94.9 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 4% | 0.043 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -51 | -54.9 | 174.6 | -60.6 | -175.6 | -63.3 | -73.7 | 0 | 113 | A14 L15 G16 D17 V20 S24 F25 L26 D74 T75 G77 L98 | A14-K22 HydrophobicContact CB-CB 4.14Å; A14-K22 HydrophobicContact CB-CD 4.34Å; A14-K22 HydrophobicContact CB-CG 4.37Å; L15-K22 VanDerWaalsContact C-CD 3.47Å; G16-K22 PolarHBondContact O-NZ 2.65Å; D17-K22 PolarHBondContact O-NZ 2.84Å; V20-K22 HydrophobicContact CG2-CG 3.83Å; K22-S24 PolarHBondContact O-N 3Å; K22-F25 WeakPolarHBondContact O-CB 3.43Å; K22-F25 PolarHBondContact O-N 2.99Å; K22-L26 WeakPolarHBondContact O-CG 3.27Å; K22-L26 PolarHBondContact O-N 3.43Å; K22-D74 WeakPolarHBondContact CB-OD1 3.38Å; K22-T75 WeakPolarHBondContact CE-O 3.22Å; K22-G77 VanDerWaalsContact NZ-CA 3.34Å; K22-L98 HydrophobicContact CG-CB 4.37Å; K22-L98 HydrophobicContact CG-CD2 4.2Å |
| 23 | T | 94.6 | Very high | 94.6 | Very high | 38 Ų | 38 | 31.3 Ų | 31.3 | 23% | 0.233 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.6 | -50.1 | 177.8 | -42.7 | 0 | 0 | 0 | 0 | 111.4 | G21 F25 L26 Y27 T41 D74 | G21-T23 PolarHBondContact O-N 2.87Å; T23-F25 VanDerWaalsContact C-N 3.3Å; T23-F25 PolarHBondContact O-N 3.25Å; T23-L26 PolarHBondContact O-N 2.91Å; T23-Y27 HydrophobicContact CG2-CD2 3.88Å; T23-Y27 HydrophobicContact CG2-CE2 3.76Å; T23-Y27 WeakPolarHBondContact O-CB 3.28Å; T23-Y27 VanDerWaalsContact O-CD2 3.23Å; T23-Y27 WeakPolarHBondContact O-CD2 3.08Å; T23-Y27 PolarHBondContact O-N 3.44Å; T23-T41 PolarHBondContact OG1-OG1 2.63Å; T23-D74 VanDerWaalsContact CB-OD2 3.29Å; T23-D74 WeakPolarHBondContact CB-OD2 3.29Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.21Å; T23-D74 PolarHBondContact N-OD1 2.75Å; T23-D74 PolarHBondContact OG1-OD2 3.47Å |
| 24 | S | 96.1 | Very high | 94.4 | Very high | 35 Ų | 35 | 36 Ų | 36 | 25% | 0.245 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 178.8 | -53.4 | 0 | 0 | 0 | 0 | 112.2 | G21 K22 Y27 Q28 | G21-S24 PolarHBondContact O-N 2.79Å; K22-S24 PolarHBondContact O-N 3Å; S24-Y27 PolarHBondContact O-N 3.22Å; S24-Q28 VanDerWaalsContact O-CB 3.26Å; S24-Q28 WeakPolarHBondContact O-CB 3.27Å; S24-Q28 PolarHBondContact O-N 3.17Å |
| 25 | F | 97.6 | Very high | 94 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.1 | -47.7 | 176.5 | -178.3 | -79.3 | 0 | 0 | 0 | 111.2 | G21 K22 T23 Q28 Y29 L96 L98 T162 A164 V170 A173 V174 | G21-F25 VanDerWaalsContact O-CB 3.28Å; G21-F25 WeakPolarHBondContact O-CB 3.2Å; G21-F25 PolarHBondContact O-N 3.42Å; K22-F25 WeakPolarHBondContact O-CB 3.43Å; K22-F25 PolarHBondContact O-N 2.99Å; T23-F25 VanDerWaalsContact C-N 3.3Å; T23-F25 PolarHBondContact O-N 3.25Å; F25-Q28 PolarHBondContact O-N 2.8Å; F25-Y29 PolarHBondContact O-N 3.02Å; F25-L96 HydrophobicContact CE1-CD1 3.99Å; F25-L96 HydrophobicContact CE1-CD2 4.48Å; F25-L98 HydrophobicContact CB-CD2 3.84Å; F25-L98 HydrophobicContact CD2-CD2 4.14Å; F25-L98 HydrophobicContact CG-CD2 3.99Å; F25-T162 HydrophobicContact CE2-CG2 3.96Å; F25-A164 HydrophobicContact CB-CB 4.46Å; F25-V170 HydrophobicContact CD1-CG1 4.29Å; F25-V170 HydrophobicContact CD2-CG1 4.19Å; F25-V170 HydrophobicContact CD2-CG2 3.96Å; F25-V170 HydrophobicContact CE1-CG1 4.04Å; F25-V170 HydrophobicContact CE2-CB 4.1Å; F25-V170 HydrophobicContact CE2-CG1 3.95Å; F25-V170 HydrophobicContact CE2-CG2 3.87Å; F25-V170 HydrophobicContact CG-CG1 4.34Å; F25-V170 HydrophobicContact CZ-CB 4.32Å; F25-V170 HydrophobicContact CZ-CG1 3.87Å; F25-A173 HydrophobicContact CZ-CB 4.18Å; F25-V174 HydrophobicContact CE1-CG2 3.77Å; F25-V174 HydrophobicContact CZ-CG2 4.16Å |
| 26 | L | 96.3 | Very high | 93.4 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.1 | -38.7 | 178.8 | -64.4 | -176.8 | 0 | 0 | 0 | 112.1 | A14 K22 T23 Y29 T30 L72 D74 L96 | A14-L26 HydrophobicContact CB-CD1 3.91Å; A14-L26 HydrophobicContact CB-CD2 4.41Å; A14-L26 HydrophobicContact CB-CG 4.29Å; K22-L26 WeakPolarHBondContact O-CG 3.27Å; K22-L26 PolarHBondContact O-N 3.43Å; T23-L26 PolarHBondContact O-N 2.91Å; L26-Y29 PolarHBondContact O-N 2.88Å; L26-T30 WeakPolarHBondContact O-CB 3.29Å; L26-T30 WeakPolarHBondContact O-CG2 3.34Å; L26-T30 PolarHBondContact O-N 3.37Å; L26-T30 PolarHBondContact O-OG1 2.81Å; L26-L72 HydrophobicContact CD1-CB 4.28Å; L26-L72 HydrophobicContact CD2-CB 4Å; L26-L72 HydrophobicContact CD2-CD1 4.46Å; L26-L72 HydrophobicContact CD2-CD2 4.08Å; L26-L72 HydrophobicContact CD2-CG 4.41Å; L26-D74 HydrophobicContact CD1-CB 3.76Å; L26-L96 HydrophobicContact CD2-CD1 4.1Å |
| 27 | Y | 94.8 | Very high | 92.8 | Very high | 81 Ų | 81 | 52.6 Ų | 52.6 | 32% | 0.318 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 171.7 | -91.3 | -113.5 | 0 | 0 | 0 | 111.7 | T23 S24 Y29 T30 D31 K32 R47 | T23-Y27 HydrophobicContact CG2-CD2 3.88Å; T23-Y27 HydrophobicContact CG2-CE2 3.76Å; T23-Y27 WeakPolarHBondContact O-CB 3.28Å; T23-Y27 VanDerWaalsContact O-CD2 3.23Å; T23-Y27 WeakPolarHBondContact O-CD2 3.08Å; T23-Y27 PolarHBondContact O-N 3.44Å; S24-Y27 PolarHBondContact O-N 3.22Å; Y27-Y29 VanDerWaalsContact C-N 3.32Å; Y27-Y29 PolarHBondContact O-N 3.43Å; Y27-T30 WeakPolarHBondContact CA-OG1 3.18Å; Y27-T30 PolarHBondContact O-N 3.31Å; Y27-T30 PolarHBondContact O-OG1 3.49Å; Y27-D31 PolarHBondContact O-N 3.3Å; Y27-K32 PolarHBondContact O-N 2.57Å; Y27-R47 PolarHBondContact OH-NH2 3.36Å; Y27-R47 VanDerWaalsContact OH-NH2 3.09Å |
| 28 | Q | 96.9 | Very high | 91.9 | Very high | 16 Ų | 16 | 57.9 Ų | 57.9 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.7 | -36.8 | 178.1 | -176 | 60 | 12.4 | 0 | 0 | 111.6 | S24 F25 K32 K33 A164 G167 V170 | S24-Q28 VanDerWaalsContact O-CB 3.26Å; S24-Q28 WeakPolarHBondContact O-CB 3.27Å; S24-Q28 PolarHBondContact O-N 3.17Å; F25-Q28 PolarHBondContact O-N 2.8Å; Q28-K32 WeakPolarHBondContact O-CA 3.31Å; Q28-K32 WeakPolarHBondContact O-CD 3.34Å; Q28-K32 PolarHBondContact O-N 2.87Å; Q28-K33 PolarHBondContact OE1-O 3.26Å; Q28-A164 HydrophobicContact CB-CB 4.46Å; Q28-A164 VanDerWaalsContact CG-O 3.32Å; Q28-A164 WeakPolarHBondContact CG-O 3.43Å; Q28-A164 PolarHBondContact OE1-O 2.89Å; Q28-G167 VanDerWaalsContact NE2-CA 3.3Å; Q28-V170 HydrophobicContact CB-CG1 4.4Å; Q28-V170 HydrophobicContact CG-CG1 4.36Å; Q28-V170 HydrophobicContact CG-CG2 4.21Å |
| 29 | Y | 97.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.008 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 175.5 | 177.8 | -111 | 0 | 0 | 0 | 112.8 | F25 L26 Y27 K49 L72 V174 | F25-Y29 PolarHBondContact O-N 3.02Å; L26-Y29 PolarHBondContact O-N 2.88Å; Y27-Y29 VanDerWaalsContact C-N 3.32Å; Y27-Y29 PolarHBondContact O-N 3.43Å; Y29-K49 HydrophobicContact CD1-CD 3.96Å; Y29-K49 HydrophobicContact CE1-CB 4.3Å; Y29-K49 HydrophobicContact CE1-CD 3.44Å; Y29-K49 VanDerWaalsContact CE1-CD 3.44Å; Y29-K49 HydrophobicContact CE1-CG 4.5Å; Y29-K49 HydrophobicContact CE2-CD 4.41Å; Y29-K49 PolarHBondContact O-NZ 3.16Å; Y29-L72 HydrophobicContact CD1-CD1 3.54Å; Y29-L72 HydrophobicContact CD1-CD2 4.41Å; Y29-L72 HydrophobicContact CE1-CD1 3.86Å; Y29-L72 HydrophobicContact CE1-CD2 4.4Å; Y29-V174 HydrophobicContact CD1-CG1 4.35Å; Y29-V174 HydrophobicContact CD1-CG2 4.37Å; Y29-V174 HydrophobicContact CD2-CB 4.04Å; Y29-V174 HydrophobicContact CD2-CG1 4.37Å; Y29-V174 HydrophobicContact CD2-CG2 3.89Å; Y29-V174 HydrophobicContact CE1-CB 4.45Å; Y29-V174 HydrophobicContact CE1-CG1 3.75Å; Y29-V174 HydrophobicContact CE2-CB 3.74Å; Y29-V174 HydrophobicContact CE2-CG1 3.8Å; Y29-V174 HydrophobicContact CE2-CG2 4.1Å; Y29-V174 HydrophobicContact CG-CG2 4.03Å; Y29-V174 VanDerWaalsContact CZ-CG1 3.44Å |
| 30 | T | 95.6 | Very high | 90.7 | Very high | 23 Ų | 23 | 63.2 Ų | 63.2 | 14% | 0.141 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -79.7 | -53.9 | -174.8 | 47.7 | 0 | 0 | 0 | 0 | 112.7 | L26 Y27 R47 K49 L72 | L26-T30 WeakPolarHBondContact O-CB 3.29Å; L26-T30 WeakPolarHBondContact O-CG2 3.34Å; L26-T30 PolarHBondContact O-N 3.37Å; L26-T30 PolarHBondContact O-OG1 2.81Å; Y27-T30 WeakPolarHBondContact CA-OG1 3.18Å; Y27-T30 PolarHBondContact O-N 3.31Å; Y27-T30 PolarHBondContact O-OG1 3.49Å; T30-R47 HydrophobicContact CG2-CB 4.07Å; T30-R47 PolarHBondContact OG1-NH1 2.86Å; T30-K49 HydrophobicContact CG2-CB 4.35Å; T30-L72 HydrophobicContact CG2-CD1 3.46Å; T30-L72 VanDerWaalsContact CG2-CD1 3.46Å |
| 31 | D | 93.6 | Very high | 89.8 | Confident | 74 Ų | 74 | 64.4 Ų | 64.4 | 40% | 0.396 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -106.8 | -7.4 | -168.3 | -63 | -26.6 | 0 | 0 | 0 | 113.7 | Y27 K33 R47 | Y27-D31 PolarHBondContact O-N 3.3Å; D31-K33 HydrophobicContact CB-CB 4.24Å; D31-K33 HydrophobicContact CB-CD 4.19Å; D31-K33 HydrophobicContact CB-CG 4.25Å; D31-K33 PolarHBondContact O-N 3.3Å; D31-R47 IonicContact OD2-CZ 3.64Å; D31-R47 IonicContact OD2-NH1 3.03Å; D31-R47 PolarHBondContact OD2-NH1 2.94Å; D31-R47 IonicContact OD2-NH2 2.83Å |
| 32 | K | 93.1 | Very high | 88.9 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 50% | 0.5 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 55.5 | 35.4 | -172.3 | -55.2 | -68.1 | 172.5 | -170.7 | 0 | 112.3 | Y27 Q28 S171 | Y27-K32 PolarHBondContact O-N 2.57Å; Q28-K32 WeakPolarHBondContact O-CA 3.31Å; Q28-K32 WeakPolarHBondContact O-CD 3.34Å; Q28-K32 PolarHBondContact O-N 2.87Å; K32-S171 PolarHBondContact NZ-OG 2.8Å |
| 33 | K | 90.8 | Very high | 87.9 | Confident | 142 Ų | 142 | 69.6 Ų | 69.6 | 62% | 0.617 | 36% | 0.358 | S | S | * | . | trans | -124.3 | 144.7 | -179.1 | -70.9 | 175.5 | -173.4 | 175.6 | 0 | 110.8 | Q28 D31 | Q28-K33 PolarHBondContact OE1-O 3.26Å; D31-K33 HydrophobicContact CB-CB 4.24Å; D31-K33 HydrophobicContact CB-CD 4.19Å; D31-K33 HydrophobicContact CB-CG 4.25Å; D31-K33 PolarHBondContact O-N 3.3Å | ||
| 34 | F | 89.9 | Confident | 87.2 | Confident | 99 Ų | 99 | 69.7 Ų | 69.7 | 43% | 0.434 | 36% | 0.356 | S | S | . | . | trans | -119 | 134.2 | 170.7 | 179.8 | -108.5 | 0 | 0 | 0 | 110.4 | A164 A165 | F34-A164 HydrophobicContact CD2-CB 4.36Å; F34-A164 WeakPolarHBondContact CD2-O 3.46Å; F34-A164 HydrophobicContact CE2-CB 4.48Å; F34-A165 HydrophobicContact CD1-CB 4.27Å; F34-A165 HydrophobicContact CD2-CB 4.33Å; F34-A165 HydrophobicContact CE1-CB 4.18Å; F34-A165 HydrophobicContact CE2-CB 4.26Å; F34-A165 HydrophobicContact CG-CB 4.33Å; F34-A165 HydrophobicContact CZ-CB 4.18Å | ||
| 35 | N | 86.3 | Confident | 86.8 | Confident | 88 Ų | 88 | 71.5 Ų | 71.5 | 47% | 0.471 | 36% | 0.363 | S | S | . | . | trans | -112.8 | 120.1 | 169.4 | -174.6 | -6.7 | 0 | 0 | 0 | 108.4 | K37 | N35-K37 VanDerWaalsContact C-N 3.28Å; N35-K37 PolarHBondContact O-N 3.18Å; N35-K37 WeakPolarHBondContact OD1-CB 3.34Å; N35-K37 PolarHBondContact OD1-N 3.34Å | ||
| 36 | S | 80.8 | Confident | 86.3 | Confident | 105 Ų | 105 | 75.9 Ų | 75.9 | 73% | 0.734 | 38% | 0.383 | S | S | * | . | trans | -75.1 | -15.7 | -179.5 | 57.6 | 0 | 0 | 0 | 0 | 113.5 | F38 | S36-F38 PolarHBondContact O-N 3.06Š| ||
| 37 | K | 81.8 | Confident | 86.1 | Confident | 157 Ų | 157 | 78.5 Ų | 78.5 | 68% | 0.683 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -73.3 | 118.4 | 176.3 | -66.3 | -175.7 | 179.7 | -179.9 | 0 | 109.6 | N35 I39 | N35-K37 VanDerWaalsContact C-N 3.28Å; N35-K37 PolarHBondContact O-N 3.18Å; N35-K37 WeakPolarHBondContact OD1-CB 3.34Å; N35-K37 PolarHBondContact OD1-N 3.34Å; K37-I39 PolarHBondContact O-N 3.28Å |
| 38 | F | 73.7 | Confident | 86.1 | Confident | 137 Ų | 137 | 78.9 Ų | 78.9 | 60% | 0.601 | 40% | 0.397 | S | S | * | . | trans | -70.2 | 112.8 | 170.9 | -176.8 | -108.6 | 0 | 0 | 0 | 109.9 | S36 T40 | S36-F38 PolarHBondContact O-N 3.06Å; F38-T40 VanDerWaalsContact CE1-OG1 3.23Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.43Å | ||
| 39 | I | 78.7 | Confident | 86 | Confident | 124 Ų | 124 | 80.6 Ų | 80.6 | 64% | 0.636 | 40% | 0.404 | S | S | * | . | trans | -119.6 | 116.5 | 171.3 | -57.8 | 174.8 | 0 | 0 | 0 | 106.4 | K37 T41 | K37-I39 PolarHBondContact O-N 3.28Å; I39-T41 PolarHBondContact O-N 2.79Å | ||
| 40 | T | 79.8 | Confident | 85.9 | Confident | 65 Ų | 65 | 87.5 Ų | 87.5 | 40% | 0.399 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 125.7 | 178.3 | -53 | 0 | 0 | 0 | 0 | 110.1 | F38 V42 | F38-T40 VanDerWaalsContact CE1-OG1 3.23Å; F38-T40 WeakPolarHBondContact CE1-OG1 3.43Å; T40-V42 PolarHBondContact O-N 2.92Å |
| 41 | T | 77.2 | Confident | 85.8 | Confident | 25 Ų | 25 | 87.7 Ų | 87.7 | 15% | 0.153 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 123.7 | 171.1 | -48.3 | 0 | 0 | 0 | 0 | 109.9 | T23 I39 D74 A76 | T23-T41 PolarHBondContact OG1-OG1 2.63Å; I39-T41 PolarHBondContact O-N 2.79Å; T41-D74 PolarHBondContact OG1-OD2 3.24Å; T41-A76 WeakPolarHBondContact O-CB 3.37Å |
| 42 | V | 76.1 | Confident | 85.8 | Confident | 120 Ų | 120 | 88.4 Ų | 88.4 | 73% | 0.727 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -98.4 | 119.3 | 172.8 | -180 | 0 | 0 | 0 | 0 | 107.7 | T40 F81 | T40-V42 PolarHBondContact O-N 2.92Å; V42-F81 HydrophobicContact CG1-CZ 4.27Å |
| 43 | G | 74.8 | Confident | 85.7 | Confident | 12 Ų | 12 | 84.1 Ų | 84.1 | 12% | 0.124 | 42% | 0.419 | C | S | . | . | S | Bend | trans | 73.3 | -127.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A76 | G43-A76 VanDerWaalsContact O-CB 3.24Å; G43-A76 WeakPolarHBondContact O-CB 3.48Å; G43-A76 PolarHBondContact O-N 3.3Å |
| 44 | I | 81.1 | Confident | 85.5 | Confident | 40 Ų | 40 | 84.5 Ų | 84.5 | 21% | 0.205 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 135.3 | -173.8 | -67.1 | 171.1 | 0 | 0 | 0 | 108.5 | W73 D74 L84 F88 | I44-W73 HydrophobicContact CG2-CE3 3.61Å; I44-W73 HydrophobicContact CG2-CZ3 4.01Å; I44-D74 WeakPolarHBondContact CA-O 3.41Å; I44-L84 HydrophobicContact CD1-CD2 4.27Å; I44-L84 HydrophobicContact CD1-CG 4.03Å; I44-L84 HydrophobicContact CG1-CD2 4.46Å; I44-F88 HydrophobicContact CD1-CD1 4.29Å; I44-F88 HydrophobicContact CD1-CD2 3.15Å; I44-F88 HydrophobicContact CD1-CE1 4.2Å; I44-F88 HydrophobicContact CD1-CE2 3.06Å; I44-F88 HydrophobicContact CD1-CG 3.81Å; I44-F88 HydrophobicContact CD1-CZ 3.61Å; I44-F88 HydrophobicContact CG1-CE2 4.47Å; I44-F88 HydrophobicContact CG2-CE1 4.36Å |
| 45 | D | 86.9 | Confident | 84.8 | Confident | 73 Ų | 73 | 81.3 Ų | 81.3 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 163.2 | 173 | -166.5 | 10 | 0 | 0 | 0 | 108.4 | D74 | D45-D74 HydrophobicContact CB-CB 4.43Å; D45-D74 PolarHBondContact N-O 3.37Å; D45-D74 PolarHBondContact O-N 3.13Å |
| 46 | F | 87.6 | Confident | 84 | Confident | 93 Ų | 93 | 84.8 Ų | 84.8 | 41% | 0.408 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 152.8 | 173.1 | 77.4 | -82.5 | 0 | 0 | 0 | 111.9 | E48 L72 W73 | F46-E48 HydrophobicContact CD2-CG 3.96Å; F46-E48 HydrophobicContact CE2-CG 3.83Å; F46-L72 CarbonylContact C-O 3.55Å; F46-L72 VanDerWaalsContact CA-O 3.25Å; F46-L72 WeakPolarHBondContact CA-O 3.26Å; F46-W73 HydrophobicContact CB-CD2 3.96Å; F46-W73 HydrophobicContact CB-CE3 3.97Å; F46-W73 HydrophobicContact CB-CG 4.33Å; F46-W73 HydrophobicContact CB-CZ3 4.36Å; F46-W73 HydrophobicContact CD1-CZ3 4.43Å |
| 47 | R | 91.8 | Very high | 83 | Confident | 57 Ų | 57 | 81.3 Ų | 81.3 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 157.9 | 176.4 | -58.5 | -157.8 | 130.4 | -160.9 | -6.7 | 110.9 | Y27 T30 D31 Q71 L72 | Y27-R47 PolarHBondContact OH-NH2 3.36Å; Y27-R47 VanDerWaalsContact OH-NH2 3.09Å; T30-R47 HydrophobicContact CG2-CB 4.07Å; T30-R47 PolarHBondContact OG1-NH1 2.86Å; D31-R47 IonicContact OD2-CZ 3.64Å; D31-R47 IonicContact OD2-NH1 3.03Å; D31-R47 PolarHBondContact OD2-NH1 2.94Å; D31-R47 IonicContact OD2-NH2 2.83Å; R47-Q71 CarbonylContact O-C 3.54Å; R47-L72 HydrophobicContact CB-CB 4.48Å; R47-L72 PolarHBondContact N-O 3.39Å; R47-L72 PolarHBondContact O-N 3.25Å |
| 48 | E | 94.8 | Very high | 81.8 | Confident | 90 Ų | 90 | 79.7 Ų | 79.7 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.6 | -176 | -54.7 | -165.4 | 127.2 | 0 | 0 | 111 | F46 H69 V70 Q71 | F46-E48 HydrophobicContact CD2-CG 3.96Å; F46-E48 HydrophobicContact CE2-CG 3.83Å; E48-H69 IonicContact OE1-CD2 3.57Å; E48-H69 IonicContact OE1-CE1 2.95Å; E48-H69 IonicContact OE1-NE2 2.65Å; E48-H69 PolarHBondContact OE1-NE2 2.86Å; E48-H69 IonicContact OE2-CE1 3.67Å; E48-H69 IonicContact OE2-NE2 3.26Å; E48-H69 PolarHBondContact OE2-NE2 3.49Å; E48-V70 CarbonylContact C-O 3.55Å; E48-V70 VanDerWaalsContact CA-O 3.27Å; E48-V70 WeakPolarHBondContact CA-O 3.31Å; E48-Q71 HydrophobicContact CG-CG 4.16Å; E48-Q71 WeakPolarHBondContact OE1-CG 3.44Å; E48-Q71 PolarHBondContact OE1-NE2 2.82Å |
| 49 | K | 94.7 | Very high | 80.7 | Confident | 52 Ų | 52 | 82.9 Ų | 82.9 | 23% | 0.226 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 129.5 | 173.3 | -165.9 | -179.5 | -176.5 | -179.6 | 0 | 110.2 | Y29 T30 V51 V70 | Y29-K49 HydrophobicContact CD1-CD 3.96Å; Y29-K49 HydrophobicContact CE1-CB 4.3Å; Y29-K49 HydrophobicContact CE1-CD 3.44Å; Y29-K49 VanDerWaalsContact CE1-CD 3.44Å; Y29-K49 HydrophobicContact CE1-CG 4.5Å; Y29-K49 HydrophobicContact CE2-CD 4.41Å; Y29-K49 PolarHBondContact O-NZ 3.16Å; T30-K49 HydrophobicContact CG2-CB 4.35Å; K49-V51 HydrophobicContact CD-CG1 4.09Å; K49-V51 HydrophobicContact CG-CG1 4.1Å; K49-V70 PolarHBondContact N-O 2.95Å; K49-V70 WeakPolarHBondContact O-CB 3.4Å; K49-V70 PolarHBondContact O-N 2.92Å |
| 50 | R | 94.6 | Very high | 79.3 | Confident | 146 Ų | 146 | 81.1 Ų | 81.1 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128.3 | 169.8 | -66.4 | -175.9 | 177.5 | -177.1 | -0.9 | 109.5 | I68 | R50-I68 CarbonylContact C-O 3.57Å; R50-I68 WeakPolarHBondContact CA-O 3.41Å |
| 51 | V | 94.3 | Very high | 78.1 | Confident | 27 Ų | 27 | 81.5 Ų | 81.5 | 16% | 0.164 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 160.2 | 176.9 | -57.4 | 0 | 0 | 0 | 0 | 109.9 | K49 I68 V70 L178 | K49-V51 HydrophobicContact CD-CG1 4.09Å; K49-V51 HydrophobicContact CG-CG1 4.1Å; V51-I68 HydrophobicContact CG2-CB 3.76Å; V51-I68 HydrophobicContact CG2-CG1 4.33Å; V51-I68 HydrophobicContact CG2-CG2 4.42Å; V51-I68 PolarHBondContact N-O 3.07Å; V51-I68 PolarHBondContact O-N 3.36Å; V51-V70 HydrophobicContact CG2-CG2 3.84Å; V51-L178 HydrophobicContact CG2-CD2 3.87Å |
| 52 | V | 92.9 | Very high | 77.1 | Confident | 90 Ų | 90 | 85.3 Ų | 85.3 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 111.8 | 173.8 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | K54 Q66 | V52-K54 HydrophobicContact CG1-CG 4.47Å; V52-Q66 CarbonylContact C-O 3.53Å; V52-Q66 WeakPolarHBondContact CA-O 3.49Å |
| 53 | Y | 90.9 | Very high | 76.5 | Confident | 25 Ų | 25 | 81.3 Ų | 81.3 | 10% | 0.098 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 133.8 | 174.1 | 178.6 | -101.9 | 0 | 0 | 0 | 109.6 | G65 Q66 L178 D179 M182 | Y53-G65 CarbonylContact O-C 3.59Å; Y53-G65 WeakPolarHBondContact O-CA 3.37Å; Y53-Q66 PolarHBondContact N-O 2.96Å; Y53-Q66 PolarHBondContact O-N 2.98Å; Y53-L178 HydrophobicContact CD2-CD2 4.35Å; Y53-L178 HydrophobicContact CD2-CG 4.38Å; Y53-D179 HydrophobicContact CE2-CB 4.32Å; Y53-D179 PolarHBondContact OH-OD1 3.15Å; Y53-D179 VanDerWaalsContact OH-OD1 3.09Å; Y53-M182 HydrophobicContact CD1-CB 4.21Å; Y53-M182 HydrophobicContact CD1-CE 3.97Å; Y53-M182 HydrophobicContact CD1-CG 3.95Å; Y53-M182 HydrophobicContact CD2-CG 4.22Å; Y53-M182 HydrophobicContact CE1-CB 3.69Å; Y53-M182 HydrophobicContact CE1-CE 4.38Å; Y53-M182 HydrophobicContact CE1-CG 3.95Å; Y53-M182 HydrophobicContact CE2-CB 4.26Å; Y53-M182 HydrophobicContact CE2-CG 4.23Å; Y53-M182 HydrophobicContact CG-CG 4.08Å |
| 54 | K | 87.3 | Confident | 76.5 | Confident | 149 Ų | 149 | 90.8 Ų | 90.8 | 65% | 0.648 | 50% | 0.504 | S | S | * | . | trans | -121.5 | 110.3 | 176.4 | -66.3 | -178.6 | -179.5 | 179.4 | 0 | 107.6 | V52 | V52-K54 HydrophobicContact CG1-CG 4.47Š| ||
| 55 | S | 75.9 | Confident | 76.6 | Confident | 33 Ų | 33 | 90 Ų | 90 | 23% | 0.231 | 51% | 0.506 | C | S | . | . | trans | -70.1 | 134.7 | 174.7 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | G57 E186 | S55-G57 VanDerWaalsContact C-N 3.27Å; S55-G57 PolarHBondContact O-N 3.05Å; S55-E186 PolarHBondContact OG-OE1 3.38Å | ||
| 56 | N | 68.9 | Low | 76.8 | Confident | 161 Ų | 161 | 88.6 Ų | 88.6 | 86% | 0.861 | 50% | 0.496 | S | S | * | . | trans | -78.6 | 83.9 | 168.8 | -67 | -28.3 | 0 | 0 | 0 | 107.3 | ||||
| 57 | G | 60.2 | Low | 77 | Confident | 32 Ų | 32 | 88 Ų | 88 | 33% | 0.33 | 49% | 0.491 | S | S | . | . | trans | -62.3 | 167.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S55 E59 | S55-G57 VanDerWaalsContact C-N 3.27Å; S55-G57 PolarHBondContact O-N 3.05Å; G57-E59 PolarHBondContact O-N 3.44Å | ||
| 58 | P | 56.3 | Low | 77.2 | Confident | 122 Ų | 122 | 85.3 Ų | 85.3 | 79% | 0.792 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -52.3 | 137.7 | 173.9 | 20.7 | -30.1 | 0 | 0 | 0 | 110.5 | G60 | P58-G60 PolarHBondContact O-N 2.67Š|
| 59 | E | 49.3 | Very low | 77.2 | Confident | 205 Ų | 205 | 81.9 Ų | 81.9 | 96% | 0.958 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -37.4 | 120.5 | -163 | -64.4 | -177 | 155.4 | 0 | 0 | 115 | G57 | G57-E59 PolarHBondContact O-N 3.44Š|
| 60 | G | 50.6 | Low | 77.3 | Confident | 87 Ų | 87 | 79.4 Ų | 79.4 | 90% | 0.897 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 110.1 | -19.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | P58 | P58-G60 PolarHBondContact O-N 2.67Š|
| 61 | A | 53.5 | Low | 77.4 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 60% | 0.603 | 44% | 0.435 | S | S | * | . | trans | -100.5 | 96.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | G63 | A61-G63 PolarHBondContact O-N 3.09Š| ||
| 62 | A | 56.9 | Low | 77.4 | Confident | 104 Ų | 104 | 72.6 Ų | 72.6 | 86% | 0.86 | 43% | 0.427 | S | S | * | . | trans | -57.8 | 106.3 | 169 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 63 | G | 63.5 | Low | 77.4 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 37% | 0.371 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 146.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | A61 G65 | A61-G63 PolarHBondContact O-N 3.09Å; G63-G65 PolarHBondContact O-N 3.27Å |
| 64 | R | 74.1 | Confident | 77.4 | Confident | 212 Ų | 212 | 69.9 Ų | 69.9 | 80% | 0.8 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 126.4 | 173.4 | -179.7 | 178.1 | 174 | 179.8 | -2 | 108.2 | Q66 | R64-Q66 PolarHBondContact O-N 3.34Š|
| 65 | G | 84.3 | Confident | 77.3 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 25% | 0.247 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 126.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y53 G63 | Y53-G65 CarbonylContact O-C 3.59Å; Y53-G65 WeakPolarHBondContact O-CA 3.37Å; G63-G65 PolarHBondContact O-N 3.27Å |
| 66 | Q | 90.1 | Very high | 77.5 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 20% | 0.196 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 126.1 | 177.1 | -67.7 | 171.3 | -26.1 | 0 | 0 | 108.9 | Y8 V52 Y53 R64 I68 | Y8-Q66 HydrophobicContact CD2-CB 4.24Å; Y8-Q66 HydrophobicContact CE2-CB 4.1Å; Y8-Q66 HydrophobicContact CE2-CG 3.96Å; V52-Q66 CarbonylContact C-O 3.53Å; V52-Q66 WeakPolarHBondContact CA-O 3.49Å; Y53-Q66 PolarHBondContact N-O 2.96Å; Y53-Q66 PolarHBondContact O-N 2.98Å; R64-Q66 PolarHBondContact O-N 3.34Å; Q66-I68 HydrophobicContact CB-CD1 4.07Å; Q66-I68 PolarHBondContact O-N 3.45Å |
| 67 | R | 93.3 | Very high | 77.4 | Confident | 81 Ų | 81 | 54.2 Ų | 54.2 | 31% | 0.306 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 117.5 | 177.8 | -62.6 | 171.7 | -64.9 | 166.1 | 7.9 | 108.5 | D5 D7 Y8 | D5-R67 PolarHBondContact O-NH1 3.13Å; D5-R67 IonicContact OD1-CZ 3.85Å; D5-R67 IonicContact OD1-NH1 2.63Å; D5-R67 PolarHBondContact OD1-NH1 3.39Å; D7-R67 PolarHBondContact N-O 3.27Å; D7-R67 IonicContact OD1-CZ 2.75Å; D7-R67 IonicContact OD1-NE 2.67Å; D7-R67 PolarHBondContact OD1-NE 2.88Å; D7-R67 IonicContact OD1-NH2 2.7Å; D7-R67 PolarHBondContact OD1-NH2 3.08Å; D7-R67 WeakPolarHBondContact OD2-CB 3.48Å; D7-R67 PolarHBondContact OD2-N 3.4Å; D7-R67 IonicContact OD2-NE 3.94Å; D7-R67 PolarHBondContact OD2-NE 3.48Å; Y8-R67 PolarHBondContact N-O 3.44Å |
| 68 | I | 94.9 | Very high | 77.7 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 127.4 | -178.5 | -45.3 | -59.5 | 0 | 0 | 0 | 108.8 | Y8 I10 R50 V51 Q66 V70 L178 M182 | Y8-I68 HydrophobicContact CD2-CD1 3.6Å; Y8-I68 HydrophobicContact CG-CD1 4.06Å; Y8-I68 WeakPolarHBondContact O-CA 3.33Å; I10-I68 HydrophobicContact CB-CG2 3.98Å; I10-I68 HydrophobicContact CG1-CG2 3.46Å; I10-I68 VanDerWaalsContact CG1-CG2 3.46Å; R50-I68 CarbonylContact C-O 3.57Å; R50-I68 WeakPolarHBondContact CA-O 3.41Å; V51-I68 HydrophobicContact CG2-CB 3.76Å; V51-I68 HydrophobicContact CG2-CG1 4.33Å; V51-I68 HydrophobicContact CG2-CG2 4.42Å; V51-I68 PolarHBondContact N-O 3.07Å; V51-I68 PolarHBondContact O-N 3.36Å; Q66-I68 HydrophobicContact CB-CD1 4.07Å; Q66-I68 PolarHBondContact O-N 3.45Å; I68-V70 HydrophobicContact CB-CG2 4.48Å; I68-V70 HydrophobicContact CG2-CG2 3.78Å; I68-L178 HydrophobicContact CG2-CD1 4.1Å; I68-M182 HydrophobicContact CD1-CE 3.73Å; I68-M182 HydrophobicContact CD1-SD 3.99Å |
| 69 | H | 95.7 | Very high | 77.9 | Confident | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.083 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 106.7 | 165.8 | -169.3 | 134.1 | 0 | 0 | 0 | 107.6 | Y6 Y8 L9 I10 E48 | Y6-H69 HydrophobicContact CD1-CB 3.6Å; Y6-H69 AromaticContact CD1-CG 3.98Å; Y6-H69 AromaticContact CD1-ND1 3.6Å; Y6-H69 HydrophobicContact CD2-CB 3.92Å; Y6-H69 HydrophobicContact CE1-CB 4.05Å; Y6-H69 AromaticContact CE1-ND1 3.7Å; Y6-H69 HydrophobicContact CE2-CB 4.35Å; Y6-H69 HydrophobicContact CG-CB 3.52Å; Y8-H69 PolarHBondContact O-N 2.97Å; L9-H69 WeakPolarHBondContact CA-O 3.41Å; L9-H69 HydrophobicContact CD1-CB 4.19Å; L9-H69 VanDerWaalsContact CD1-O 3.27Å; L9-H69 WeakPolarHBondContact CD1-O 3.39Å; I10-H69 PolarHBondContact N-O 3.36Å; E48-H69 IonicContact OE1-CD2 3.57Å; E48-H69 IonicContact OE1-CE1 2.95Å; E48-H69 IonicContact OE1-NE2 2.65Å; E48-H69 PolarHBondContact OE1-NE2 2.86Å; E48-H69 IonicContact OE2-CE1 3.67Å; E48-H69 IonicContact OE2-NE2 3.26Å; E48-H69 PolarHBondContact OE2-NE2 3.49Å |
| 70 | V | 95.8 | Very high | 78.4 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 122.9 | -179.4 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | I10 F12 E48 K49 V51 I68 L72 | I10-V70 CarbonylContact O-C 3.59Å; I10-V70 WeakPolarHBondContact O-CA 3.32Å; F12-V70 HydrophobicContact CD2-CG1 3.73Å; F12-V70 HydrophobicContact CE2-CG1 3.8Å; F12-V70 HydrophobicContact CG-CG1 4.44Å; E48-V70 CarbonylContact C-O 3.55Å; E48-V70 VanDerWaalsContact CA-O 3.27Å; E48-V70 WeakPolarHBondContact CA-O 3.31Å; K49-V70 PolarHBondContact N-O 2.95Å; K49-V70 WeakPolarHBondContact O-CB 3.4Å; K49-V70 PolarHBondContact O-N 2.92Å; V51-V70 HydrophobicContact CG2-CG2 3.84Å; I68-V70 HydrophobicContact CB-CG2 4.48Å; I68-V70 HydrophobicContact CG2-CG2 3.78Å; V70-L72 HydrophobicContact CG1-CD2 3.75Å; V70-L72 HydrophobicContact CG1-CG 3.98Å |
| 71 | Q | 96.1 | Very high | 78.9 | Confident | 29 Ų | 29 | 52 Ų | 52 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 125 | 166.8 | -75.6 | -176.3 | -17.3 | 0 | 0 | 109.4 | L9 I10 K11 F12 R47 E48 | L9-Q71 HydrophobicContact CD1-CG 3.79Å; I10-Q71 PolarHBondContact O-N 3.21Å; K11-Q71 CarbonylContact C-O 3.58Å; K11-Q71 WeakPolarHBondContact CA-O 2.99Å; K11-Q71 HydrophobicContact CG-CB 4.2Å; F12-Q71 PolarHBondContact N-O 3.03Å; R47-Q71 CarbonylContact O-C 3.54Å; E48-Q71 HydrophobicContact CG-CG 4.16Å; E48-Q71 WeakPolarHBondContact OE1-CG 3.44Å; E48-Q71 PolarHBondContact OE1-NE2 2.82Å |
| 72 | L | 95 | Very high | 79.5 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 102.6 | -175.5 | -60.6 | 160 | 0 | 0 | 0 | 107.9 | F12 L26 Y29 T30 F46 R47 V70 | F12-L72 HydrophobicContact CB-CD2 4.21Å; F12-L72 HydrophobicContact CD2-CD2 3.87Å; L26-L72 HydrophobicContact CD1-CB 4.28Å; L26-L72 HydrophobicContact CD2-CB 4Å; L26-L72 HydrophobicContact CD2-CD1 4.46Å; L26-L72 HydrophobicContact CD2-CD2 4.08Å; L26-L72 HydrophobicContact CD2-CG 4.41Å; Y29-L72 HydrophobicContact CD1-CD1 3.54Å; Y29-L72 HydrophobicContact CD1-CD2 4.41Å; Y29-L72 HydrophobicContact CE1-CD1 3.86Å; Y29-L72 HydrophobicContact CE1-CD2 4.4Å; T30-L72 HydrophobicContact CG2-CD1 3.46Å; T30-L72 VanDerWaalsContact CG2-CD1 3.46Å; F46-L72 CarbonylContact C-O 3.55Å; F46-L72 VanDerWaalsContact CA-O 3.25Å; F46-L72 WeakPolarHBondContact CA-O 3.26Å; R47-L72 HydrophobicContact CB-CB 4.48Å; R47-L72 PolarHBondContact N-O 3.39Å; R47-L72 PolarHBondContact O-N 3.25Å; V70-L72 HydrophobicContact CG1-CD2 3.75Å; V70-L72 HydrophobicContact CG1-CG 3.98Å |
| 73 | W | 93.4 | Very high | 79.9 | Confident | 53 Ų | 53 | 52 Ų | 52 | 20% | 0.201 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 119.9 | -178.4 | -67.6 | 82.5 | 0 | 0 | 0 | 109.7 | F12 L13 A14 I44 F46 F88 | F12-W73 WeakPolarHBondContact O-CB 3.29Å; F12-W73 PolarHBondContact O-N 3.47Å; L13-W73 HydrophobicContact CD1-CB 3.3Å; L13-W73 HydrophobicContact CD1-CG 4.31Å; A14-W73 PolarHBondContact N-O 2.82Å; I44-W73 HydrophobicContact CG2-CE3 3.61Å; I44-W73 HydrophobicContact CG2-CZ3 4.01Å; F46-W73 HydrophobicContact CB-CD2 3.96Å; F46-W73 HydrophobicContact CB-CE3 3.97Å; F46-W73 HydrophobicContact CB-CG 4.33Å; F46-W73 HydrophobicContact CB-CZ3 4.36Å; F46-W73 HydrophobicContact CD1-CZ3 4.43Å; W73-F88 HydrophobicContact CD2-CD1 4.42Å; W73-F88 AromaticContact CE3-CD1 3.81Å; W73-F88 HydrophobicContact CE3-CD1 3.81Å; W73-F88 AromaticContact CE3-CE1 3.88Å; W73-F88 HydrophobicContact CE3-CE1 3.88Å; W73-F88 HydrophobicContact CH2-CD1 4.4Å; W73-F88 HydrophobicContact CH2-CE1 4.02Å; W73-F88 AromaticContact CZ3-CD1 3.81Å; W73-F88 HydrophobicContact CZ3-CD1 3.81Å; W73-F88 AromaticContact CZ3-CE1 3.43Å; W73-F88 HydrophobicContact CZ3-CE1 3.43Å; W73-F88 VanDerWaalsContact CZ3-CE1 3.43Å |
| 74 | D | 90.9 | Very high | 80 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.2 | 174 | -168.5 | 27.6 | 0 | 0 | 0 | 109.7 | K22 T23 L26 T41 I44 D45 | K22-D74 WeakPolarHBondContact CB-OD1 3.38Å; T23-D74 VanDerWaalsContact CB-OD2 3.29Å; T23-D74 WeakPolarHBondContact CB-OD2 3.29Å; T23-D74 WeakPolarHBondContact CG2-OD2 3.21Å; T23-D74 PolarHBondContact N-OD1 2.75Å; T23-D74 PolarHBondContact OG1-OD2 3.47Å; L26-D74 HydrophobicContact CD1-CB 3.76Å; T41-D74 PolarHBondContact OG1-OD2 3.24Å; I44-D74 WeakPolarHBondContact CA-O 3.41Å; D45-D74 HydrophobicContact CB-CB 4.43Å; D45-D74 PolarHBondContact N-O 3.37Å; D45-D74 PolarHBondContact O-N 3.13Å |
| 75 | T | 84.9 | Confident | 79.6 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 144.9 | -180 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | L13 A14 L15 K22 G77 T85 | L13-T75 HydrophobicContact CD1-CG2 3.31Å; L13-T75 HydrophobicContact CD2-CG2 4.33Å; L13-T75 HydrophobicContact CG-CG2 3.87Å; A14-T75 PolarHBondContact O-OG1 3.46Å; L15-T75 HydrophobicContact CD2-CG2 3.98Å; K22-T75 WeakPolarHBondContact CE-O 3.22Å; T75-G77 PolarHBondContact O-N 3.26Å; T75-T85 HydrophobicContact CG2-CG2 4.02Å |
| 76 | A | 80.5 | Confident | 79.1 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | trans | -61.5 | 125 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | T41 G43 Q78 F81 | T41-A76 WeakPolarHBondContact O-CB 3.37Å; G43-A76 VanDerWaalsContact O-CB 3.24Å; G43-A76 WeakPolarHBondContact O-CB 3.48Å; G43-A76 PolarHBondContact O-N 3.3Å; A76-Q78 PolarHBondContact O-N 2.67Å; A76-F81 HydrophobicContact CB-CB 3.96Å; A76-F81 HydrophobicContact CB-CD2 3.64Å; A76-F81 HydrophobicContact CB-CE2 4.46Å; A76-F81 HydrophobicContact CB-CG 4.02Å | ||
| 77 | G | 67.1 | Low | 78.3 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | trans | -81.6 | 7.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | G16 S18 K22 T75 | G16-G77 WeakPolarHBondContact O-CA 3.39Å; S18-G77 PolarHBondContact N-O 3.26Å; K22-G77 VanDerWaalsContact NZ-CA 3.34Å; T75-G77 PolarHBondContact O-N 3.26Å | ||
| 78 | Q | 64.8 | Low | 77.5 | Confident | 46 Ų | 46 | 44.4 Ų | 44.4 | 22% | 0.215 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -87.9 | 136.5 | -177.3 | -147.6 | -177.8 | 19.8 | 0 | 0 | 110.1 | A76 R80 F81 | A76-Q78 PolarHBondContact O-N 2.67Å; Q78-R80 PolarHBondContact O-N 3.49Å; Q78-R80 VanDerWaalsContact OE1-NE 3.16Å; Q78-F81 HydrophobicContact CB-CD2 4.02Å; Q78-F81 PolarHBondContact O-N 2.92Å |
| 79 | E | 60.8 | Low | 76.9 | Confident | 125 Ų | 125 | 44.4 Ų | 44.4 | 58% | 0.584 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -56.4 | -29.7 | -177.6 | 63.1 | -74.5 | 157 | 0 | 0 | 113.3 | F81 R82 | E79-F81 PolarHBondContact O-N 2.98Å; E79-F81 VanDerWaalsContact O-N 3.16Å; E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 2.86Å; E79-R82 VanDerWaalsContact O-N 3.17Å |
| 80 | R | 59.7 | Low | 76.2 | Confident | 175 Ų | 175 | 51.8 Ų | 51.8 | 66% | 0.66 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -62 | -20.3 | 177.7 | -61.2 | -171.3 | -62.7 | 177.3 | 0.8 | 114.3 | Q78 | Q78-R80 PolarHBondContact O-N 3.49Å; Q78-R80 VanDerWaalsContact OE1-NE 3.16Å |
| 81 | F | 61.8 | Low | 75.7 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 24% | 0.237 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -106.4 | 4.2 | -180 | -61.6 | -67.9 | 0 | 0 | 0 | 113.4 | V42 A76 Q78 E79 S83 L84 T85 | V42-F81 HydrophobicContact CG1-CZ 4.27Å; A76-F81 HydrophobicContact CB-CB 3.96Å; A76-F81 HydrophobicContact CB-CD2 3.64Å; A76-F81 HydrophobicContact CB-CE2 4.46Å; A76-F81 HydrophobicContact CB-CG 4.02Å; Q78-F81 HydrophobicContact CB-CD2 4.02Å; Q78-F81 PolarHBondContact O-N 2.92Å; E79-F81 PolarHBondContact O-N 2.98Å; E79-F81 VanDerWaalsContact O-N 3.16Å; F81-S83 VanDerWaalsContact C-N 3.29Å; F81-S83 PolarHBondContact O-N 3.38Å; F81-L84 WeakPolarHBondContact O-CB 3.41Å; F81-L84 PolarHBondContact O-N 3.44Å; F81-T85 PolarHBondContact O-N 3.48Å; F81-T85 VanDerWaalsContact O-N 3.16Å; F81-T85 PolarHBondContact O-OG1 3.02Å; F81-T85 VanDerWaalsContact O-OG1 3.12Å |
| 82 | R | 65.1 | Low | 75.4 | Confident | 71 Ų | 71 | 55.4 Ų | 55.4 | 27% | 0.268 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.9 | -37.3 | -177 | -85.8 | -176.4 | 149.3 | 150.7 | 1.8 | 114.2 | E79 L84 T85 T86 W113 | E79-R82 WeakPolarHBondContact O-CB 3.49Å; E79-R82 PolarHBondContact O-N 2.86Å; E79-R82 VanDerWaalsContact O-N 3.17Å; R82-L84 VanDerWaalsContact C-N 3.33Å; R82-L84 PolarHBondContact O-N 2.84Å; R82-T85 WeakPolarHBondContact O-CB 3.23Å; R82-T85 PolarHBondContact O-N 2.87Å; R82-T86 PolarHBondContact O-N 2.98Å; R82-T86 PolarHBondContact O-OG1 2.92Å; R82-W113 HydrophobicContact CG-CH2 4.38Å |
| 83 | S | 65.4 | Low | 75.3 | Confident | 105 Ų | 105 | 57.7 Ų | 57.7 | 73% | 0.734 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66.3 | -33.9 | 177.8 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | F81 T85 | F81-S83 VanDerWaalsContact C-N 3.29Å; F81-S83 PolarHBondContact O-N 3.38Å; S83-T85 VanDerWaalsContact C-N 3.34Å |
| 84 | L | 65.6 | Low | 75.4 | Confident | 83 Ų | 83 | 55.1 Ų | 55.1 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69 | -38.3 | 174.2 | -173.9 | 64.9 | 0 | 0 | 0 | 110.5 | I44 F81 R82 T86 F88 | I44-L84 HydrophobicContact CD1-CD2 4.27Å; I44-L84 HydrophobicContact CD1-CG 4.03Å; I44-L84 HydrophobicContact CG1-CD2 4.46Å; F81-L84 WeakPolarHBondContact O-CB 3.41Å; F81-L84 PolarHBondContact O-N 3.44Å; R82-L84 VanDerWaalsContact C-N 3.33Å; R82-L84 PolarHBondContact O-N 2.84Å; L84-T86 PolarHBondContact O-N 3.44Å; L84-F88 HydrophobicContact CG-CE2 4.46Å; L84-F88 VanDerWaalsContact O-CD2 3.25Å; L84-F88 WeakPolarHBondContact O-CD2 3.45Å |
| 85 | T | 67.6 | Low | 75.7 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.9 | -33.3 | -178.1 | -58.7 | 0 | 0 | 0 | 0 | 113.1 | L15 T75 F81 R82 S83 A87 F88 F89 | L15-T85 HydrophobicContact CD2-CG2 3.98Å; T75-T85 HydrophobicContact CG2-CG2 4.02Å; F81-T85 PolarHBondContact O-N 3.48Å; F81-T85 VanDerWaalsContact O-N 3.16Å; F81-T85 PolarHBondContact O-OG1 3.02Å; F81-T85 VanDerWaalsContact O-OG1 3.12Å; R82-T85 WeakPolarHBondContact O-CB 3.23Å; R82-T85 PolarHBondContact O-N 2.87Å; S83-T85 VanDerWaalsContact C-N 3.34Å; T85-A87 VanDerWaalsContact C-N 3.3Å; T85-A87 PolarHBondContact O-N 2.65Å; T85-F88 PolarHBondContact O-N 2.95Å; T85-F88 VanDerWaalsContact O-N 3.14Å; T85-F89 HydrophobicContact CG2-CD1 4.16Å; T85-F89 HydrophobicContact CG2-CE1 3.25Å; T85-F89 HydrophobicContact CG2-CZ 3.79Å; T85-F89 WeakPolarHBondContact O-CD1 3.47Å; T85-F89 WeakPolarHBondContact O-CE1 3.33Å |
| 86 | T | 71.8 | Confident | 76.3 | Confident | 38 Ų | 38 | 55 Ų | 55 | 23% | 0.233 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.7 | -34.5 | -179.7 | -50.8 | 0 | 0 | 0 | 0 | 113.8 | R82 L84 F88 F89 H120 | R82-T86 PolarHBondContact O-N 2.98Å; R82-T86 PolarHBondContact O-OG1 2.92Å; L84-T86 PolarHBondContact O-N 3.44Å; T86-F88 VanDerWaalsContact C-N 3.26Å; T86-F88 PolarHBondContact O-N 3.02Å; T86-F89 PolarHBondContact O-N 3.27Å; T86-H120 HydrophobicContact CG2-CB 3.83Å |
| 87 | A | 73.6 | Confident | 77.1 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 53% | 0.529 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.9 | -34.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T85 F89 | T85-A87 VanDerWaalsContact C-N 3.3Å; T85-A87 PolarHBondContact O-N 2.65Å; A87-F89 VanDerWaalsContact C-N 3.32Å; A87-F89 PolarHBondContact O-N 3.35Å |
| 88 | F | 77.8 | Confident | 78.6 | Confident | 50 Ų | 50 | 54.4 Ų | 54.4 | 22% | 0.219 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -80.3 | -13.5 | -177.4 | -65.1 | -94.2 | 0 | 0 | 0 | 113.1 | L13 I44 W73 L84 T85 T86 R90 D91 A92 | L13-F88 HydrophobicContact CD1-CB 4.35Å; L13-F88 HydrophobicContact CD2-CB 4.35Å; I44-F88 HydrophobicContact CD1-CD1 4.29Å; I44-F88 HydrophobicContact CD1-CD2 3.15Å; I44-F88 HydrophobicContact CD1-CE1 4.2Å; I44-F88 HydrophobicContact CD1-CE2 3.06Å; I44-F88 HydrophobicContact CD1-CG 3.81Å; I44-F88 HydrophobicContact CD1-CZ 3.61Å; I44-F88 HydrophobicContact CG1-CE2 4.47Å; I44-F88 HydrophobicContact CG2-CE1 4.36Å; W73-F88 HydrophobicContact CD2-CD1 4.42Å; W73-F88 AromaticContact CE3-CD1 3.81Å; W73-F88 HydrophobicContact CE3-CD1 3.81Å; W73-F88 AromaticContact CE3-CE1 3.88Å; W73-F88 HydrophobicContact CE3-CE1 3.88Å; W73-F88 HydrophobicContact CH2-CD1 4.4Å; W73-F88 HydrophobicContact CH2-CE1 4.02Å; W73-F88 AromaticContact CZ3-CD1 3.81Å; W73-F88 HydrophobicContact CZ3-CD1 3.81Å; W73-F88 AromaticContact CZ3-CE1 3.43Å; W73-F88 HydrophobicContact CZ3-CE1 3.43Å; W73-F88 VanDerWaalsContact CZ3-CE1 3.43Å; L84-F88 HydrophobicContact CG-CE2 4.46Å; L84-F88 VanDerWaalsContact O-CD2 3.25Å; L84-F88 WeakPolarHBondContact O-CD2 3.45Å; T85-F88 PolarHBondContact O-N 2.95Å; T85-F88 VanDerWaalsContact O-N 3.14Å; T86-F88 VanDerWaalsContact C-N 3.26Å; T86-F88 PolarHBondContact O-N 3.02Å; F88-R90 VanDerWaalsContact C-N 3.25Å; F88-R90 PolarHBondContact O-N 3.47Å; F88-D91 PolarHBondContact O-N 3.12Å; F88-A92 PolarHBondContact O-N 2.98Å |
| 89 | F | 81.3 | Confident | 80.2 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67 | -31.3 | 178.6 | -73.3 | 15.4 | 0 | 0 | 0 | 111.5 | L13 L15 T85 T86 A87 F95 W113 Q116 L117 H120 | L13-F89 HydrophobicContact CD2-CD1 3.4Å; L13-F89 VanDerWaalsContact CD2-CD1 3.4Å; L13-F89 HydrophobicContact CD2-CE1 3.63Å; L15-F89 HydrophobicContact CD1-CE1 3.82Å; L15-F89 HydrophobicContact CD1-CZ 3.79Å; L15-F89 HydrophobicContact CD2-CE1 3.51Å; L15-F89 HydrophobicContact CD2-CZ 3.89Å; L15-F89 HydrophobicContact CG-CE1 4.32Å; T85-F89 HydrophobicContact CG2-CD1 4.16Å; T85-F89 HydrophobicContact CG2-CE1 3.25Å; T85-F89 HydrophobicContact CG2-CZ 3.79Å; T85-F89 WeakPolarHBondContact O-CD1 3.47Å; T85-F89 WeakPolarHBondContact O-CE1 3.33Å; T86-F89 PolarHBondContact O-N 3.27Å; A87-F89 VanDerWaalsContact C-N 3.32Å; A87-F89 PolarHBondContact O-N 3.35Å; F89-F95 HydrophobicContact CD1-CE1 4.49Å; F89-F95 WeakPolarHBondContact O-CZ 3.17Å; F89-W113 HydrophobicContact CZ-CZ3 4.48Å; F89-Q116 HydrophobicContact CE2-CB 4.08Å; F89-L117 HydrophobicContact CD2-CD2 4.02Å; F89-L117 HydrophobicContact CE2-CD2 4.04Å; F89-L117 HydrophobicContact CG-CD2 4.47Å; F89-L117 HydrophobicContact CZ-CD2 4.45Å; F89-H120 HydrophobicContact CB-CB 4.27Å; F89-H120 HydrophobicContact CD2-CB 3.85Å; F89-H120 HydrophobicContact CG-CB 4.49Å |
| 90 | R | 81.1 | Confident | 82 | Confident | 172 Ų | 172 | 46.6 Ų | 46.6 | 65% | 0.649 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -28.9 | -179.8 | -67.3 | -178.2 | 178.7 | 174.8 | -0.9 | 113.1 | F88 H120 | F88-R90 VanDerWaalsContact C-N 3.25Å; F88-R90 PolarHBondContact O-N 3.47Å; R90-H120 VanDerWaalsContact CG-O 3.32Å; R90-H120 WeakPolarHBondContact CG-O 3.39Å |
| 91 | D | 84.9 | Confident | 83.8 | Confident | 102 Ų | 102 | 38.4 Ų | 38.4 | 55% | 0.545 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -12.5 | -177.7 | -70.7 | -10.8 | 0 | 0 | 0 | 113 | K11 F88 | K11-D91 WeakPolarHBondContact CD-O 3.28Å; F88-D91 PolarHBondContact O-N 3.12Å |
| 92 | A | 91 | Very high | 85.6 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | trans | -84.1 | 137.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L13 F88 F95 Y122 | L13-A92 HydrophobicContact CB-CB 3.75Å; L13-A92 HydrophobicContact CD2-CB 4.37Å; F88-A92 PolarHBondContact O-N 2.98Å; A92-F95 HydrophobicContact CB-CD1 4.39Å; A92-F95 HydrophobicContact CB-CE1 3.68Å; A92-F95 HydrophobicContact CB-CZ 3.81Å; A92-Y122 WeakPolarHBondContact O-CD1 3.24Å | ||
| 93 | M | 93.1 | Very high | 87.2 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 24% | 0.236 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -92.2 | -27.2 | 179.6 | -50 | -172.8 | 74.1 | 0 | 0 | 112.1 | I10 K11 I181 R184 M185 | I10-M93 HydrophobicContact CB-SD 4.5Å; I10-M93 HydrophobicContact CD1-CE 4.26Å; I10-M93 HydrophobicContact CD1-SD 3.86Å; I10-M93 HydrophobicContact CG2-SD 4.28Å; K11-M93 HydrophobicContact CB-CG 4.39Å; K11-M93 WeakPolarHBondContact O-CB 3.16Å; K11-M93 PolarHBondContact O-N 3.3Å; M93-I181 HydrophobicContact CB-CD1 4.25Å; M93-I181 HydrophobicContact CB-CG2 4.46Å; M93-I181 HydrophobicContact CE-CG2 4.37Å; M93-R184 PolarHBondContact O-NH2 3.23Å; M93-M185 HydrophobicContact CE-CE 3.06Å; M93-M185 HydrophobicContact SD-CE 4.11Å |
| 94 | G | 95.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 154.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K11 F12 L13 D127 | K11-G94 PolarHBondContact O-N 2.69Å; F12-G94 VanDerWaalsContact CA-O 3.29Å; F12-G94 WeakPolarHBondContact CA-O 3.26Å; L13-G94 PolarHBondContact N-O 2.93Å; G94-D127 WeakPolarHBondContact CA-O 3.34Å |
| 95 | F | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 129.2 | -176.7 | -55.5 | -88.8 | 0 | 0 | 0 | 111.2 | L13 L15 F89 A92 L117 A121 P126 D127 V128 V129 | L13-F95 HydrophobicContact CB-CD1 3.9Å; L13-F95 HydrophobicContact CB-CE1 4.16Å; L13-F95 HydrophobicContact CD2-CD1 4.13Å; L13-F95 HydrophobicContact CD2-CE1 3.88Å; L13-F95 HydrophobicContact CG-CD1 4.49Å; L13-F95 WeakPolarHBondContact O-CA 3.43Å; L15-F95 HydrophobicContact CD1-CD1 3.69Å; L15-F95 HydrophobicContact CD1-CE1 4.36Å; L15-F95 HydrophobicContact CD1-CG 4.48Å; L15-F95 HydrophobicContact CG-CD1 4.49Å; F89-F95 HydrophobicContact CD1-CE1 4.49Å; F89-F95 WeakPolarHBondContact O-CZ 3.17Å; A92-F95 HydrophobicContact CB-CD1 4.39Å; A92-F95 HydrophobicContact CB-CE1 3.68Å; A92-F95 HydrophobicContact CB-CZ 3.81Å; F95-L117 HydrophobicContact CB-CD1 4.15Å; F95-L117 HydrophobicContact CB-CD2 4.42Å; F95-L117 HydrophobicContact CD1-CD2 3.33Å; F95-L117 HydrophobicContact CD2-CD2 4Å; F95-L117 HydrophobicContact CE1-CD2 3.37Å; F95-L117 HydrophobicContact CE2-CD2 4.07Å; F95-L117 HydrophobicContact CG-CD1 4.18Å; F95-L117 HydrophobicContact CG-CD2 3.64Å; F95-L117 HydrophobicContact CZ-CD2 3.75Å; F95-A121 HydrophobicContact CE2-CB 4.17Å; F95-A121 HydrophobicContact CZ-CB 4.08Å; F95-P126 HydrophobicContact CD2-CB 3.72Å; F95-P126 HydrophobicContact CD2-CG 4.41Å; F95-P126 HydrophobicContact CE2-CB 3.46Å; F95-P126 VanDerWaalsContact CE2-CB 3.46Å; F95-P126 HydrophobicContact CE2-CG 4.28Å; F95-D127 PolarHBondContact N-O 2.91Å; F95-V128 HydrophobicContact CB-CG1 4.35Å; F95-V128 HydrophobicContact CB-CG2 4.18Å; F95-V128 HydrophobicContact CD2-CG2 4.28Å; F95-V128 WeakPolarHBondContact O-CA 3.2Å; F95-V129 PolarHBondContact O-N 2.84Å |
| 96 | L | 97.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 103.5 | 166.2 | -66.4 | 163.2 | 0 | 0 | 0 | 106.5 | L13 A14 L15 F25 L26 L98 V129 V174 L177 | L13-L96 PolarHBondContact O-N 3.3Å; A14-L96 CarbonylContact C-O 3.31Å; A14-L96 WeakPolarHBondContact CA-O 3.44Å; L15-L96 PolarHBondContact N-O 3.18Å; F25-L96 HydrophobicContact CE1-CD1 3.99Å; F25-L96 HydrophobicContact CE1-CD2 4.48Å; L26-L96 HydrophobicContact CD2-CD1 4.1Å; L96-L98 HydrophobicContact CB-CD1 3.81Å; L96-L98 VanDerWaalsContact O-CD1 3.26Å; L96-L98 WeakPolarHBondContact O-CD1 3.48Å; L96-V129 HydrophobicContact CD2-CB 4.46Å; L96-V174 HydrophobicContact CD1-CG2 4.13Å; L96-V174 HydrophobicContact CD2-CG2 4.34Å; L96-L177 HydrophobicContact CD2-CD2 3.86Å; L96-L177 HydrophobicContact CG-CD2 3.79Å |
| 97 | L | 97.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 108.5 | 179.4 | -178.4 | 54 | 0 | 0 | 0 | 109.4 | L15 V110 W113 M114 V128 V129 L130 C131 | L15-L97 HydrophobicContact CB-CD1 4.02Å; L97-V110 HydrophobicContact CD2-CG1 3.77Å; L97-V110 HydrophobicContact CG-CG1 4.39Å; L97-W113 HydrophobicContact CD1-CB 3.57Å; L97-W113 HydrophobicContact CD1-CG 3.98Å; L97-W113 HydrophobicContact CD2-CB 4.24Å; L97-M114 HydrophobicContact CD2-CG 3.67Å; L97-M114 HydrophobicContact CD2-SD 3.5Å; L97-M114 WeakPolarHBondContact CD2-SD 3.43Å; L97-V128 HydrophobicContact CB-CG1 3.9Å; L97-V129 PolarHBondContact N-O 3.37Å; L97-L130 HydrophobicContact CB-CD1 4.39Å; L97-L130 HydrophobicContact CD2-CD1 4.32Å; L97-L130 HydrophobicContact CG-CD1 4.1Å; L97-L130 WeakPolarHBondContact O-CA 3.45Å; L97-C131 PolarHBondContact O-N 2.73Å |
| 98 | L | 98.2 | Very high | 94.1 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 141.4 | -176.2 | -72.7 | 75.1 | 0 | 0 | 0 | 111.5 | L15 G16 V20 K22 F25 L96 C131 N133 | L15-L98 PolarHBondContact O-N 3.26Å; G16-L98 WeakPolarHBondContact CA-O 3.23Å; V20-L98 HydrophobicContact CG2-CB 3.86Å; K22-L98 HydrophobicContact CG-CB 4.37Å; K22-L98 HydrophobicContact CG-CD2 4.2Å; F25-L98 HydrophobicContact CB-CD2 3.84Å; F25-L98 HydrophobicContact CD2-CD2 4.14Å; F25-L98 HydrophobicContact CG-CD2 3.99Å; L96-L98 HydrophobicContact CB-CD1 3.81Å; L96-L98 VanDerWaalsContact O-CD1 3.26Å; L96-L98 WeakPolarHBondContact O-CD1 3.48Å; L98-C131 WeakPolarHBondContact CA-O 3.39Å; L98-C131 HydrophobicContact CD1-CB 4.4Å; L98-C131 HydrophobicContact CG-CB 3.89Å; L98-N133 HydrophobicContact CD2-CB 4.5Å |
| 99 | F | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 170.5 | 158.8 | 70.5 | -85.4 | 0 | 0 | 0 | 109.4 | L101 F107 V110 L130 C131 G132 N133 V143 A148 Y159 | F99-L101 HydrophobicContact CE2-CD2 3.83Å; F99-L101 HydrophobicContact CE2-CG 4.36Å; F99-L101 HydrophobicContact CZ-CD2 4.19Å; F99-F107 HydrophobicContact CD1-CD2 4.14Å; F99-F107 HydrophobicContact CD2-CB 3.72Å; F99-F107 AromaticContact CD2-CD2 3.89Å; F99-F107 HydrophobicContact CD2-CD2 3.89Å; F99-F107 HydrophobicContact CD2-CG 4.24Å; F99-F107 AromaticContact CE1-CD2 3.97Å; F99-F107 HydrophobicContact CE1-CD2 3.97Å; F99-F107 HydrophobicContact CE1-CE2 4.39Å; F99-F107 HydrophobicContact CE2-CB 4.14Å; F99-F107 AromaticContact CE2-CD2 3.72Å; F99-F107 HydrophobicContact CE2-CD2 3.72Å; F99-F107 HydrophobicContact CE2-CG 4.24Å; F99-F107 HydrophobicContact CG-CB 4.22Å; F99-F107 HydrophobicContact CG-CD2 4.09Å; F99-F107 AromaticContact CZ-CD2 3.76Å; F99-F107 HydrophobicContact CZ-CD2 3.76Å; F99-F107 HydrophobicContact CZ-CE2 4.22Å; F99-V110 HydrophobicContact CB-CG2 3.84Å; F99-V110 HydrophobicContact CD1-CG2 3.97Å; F99-V110 HydrophobicContact CG-CG2 4.14Å; F99-L130 HydrophobicContact CD1-CD1 3.92Å; F99-L130 HydrophobicContact CD1-CG 4.28Å; F99-L130 HydrophobicContact CE1-CD1 4.09Å; F99-L130 HydrophobicContact CE1-CD2 4.12Å; F99-L130 HydrophobicContact CE1-CG 3.95Å; F99-C131 PolarHBondContact N-O 3.02Å; F99-G132 VanDerWaalsContact CZ-CA 3.46Å; F99-N133 WeakPolarHBondContact O-CB 3.38Å; F99-N133 PolarHBondContact O-N 3.49Å; F99-V143 HydrophobicContact CE2-CB 4.18Å; F99-V143 HydrophobicContact CE2-CG1 3.88Å; F99-V143 HydrophobicContact CE2-CG2 4.27Å; F99-V143 HydrophobicContact CZ-CG1 4.45Å; F99-A148 HydrophobicContact CZ-CB 3.8Å; F99-Y159 AromaticContact CE1-CE2 3.77Å; F99-Y159 HydrophobicContact CE1-CE2 3.77Å; F99-Y159 AromaticContact CZ-CE2 3.82Å; F99-Y159 HydrophobicContact CZ-CE2 3.82Å |
| 100 | D | 98.4 | Very high | 95.6 | Very high | 7 Ų | 7 | 37.4 Ų | 37.4 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 122.3 | -179.6 | 178.8 | 0.9 | 0 | 0 | 0 | 110.1 | V20 T102 N103 S106 K134 | V20-D100 HydrophobicContact CB-CB 4.15Å; V20-D100 HydrophobicContact CG1-CB 4.08Å; D100-T102 PolarHBondContact O-N 3.37Å; D100-T102 VanDerWaalsContact O-N 3.16Å; D100-T102 PolarHBondContact OD1-N 3.33Å; D100-T102 PolarHBondContact OD1-OG1 3.03Å; D100-T102 VanDerWaalsContact OD1-OG1 3.07Å; D100-T102 PolarHBondContact OD2-OG1 3.25Å; D100-N103 HydrophobicContact CB-CB 4Å; D100-N103 CarbonylContact O-C 3.53Å; D100-N103 PolarHBondContact O-N 3.32Å; D100-S106 PolarHBondContact N-OG 3.02Å; D100-S106 PolarHBondContact O-OG 3.25Å; D100-K134 VanDerWaalsContact OD1-CD 3.29Å; D100-K134 WeakPolarHBondContact OD1-CD 3.37Å; D100-K134 IonicContact OD1-NZ 3.92Å; D100-K134 VanDerWaalsContact OD2-CE 3.23Å; D100-K134 WeakPolarHBondContact OD2-CE 3.4Å; D100-K134 IonicContact OD2-NZ 3.72Å; D100-K134 PolarHBondContact OD2-NZ 3.38Å |
| 101 | L | 98.8 | Very high | 96.3 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -19.8 | 179.5 | -73.6 | 166.4 | 0 | 0 | 0 | 112.9 | F99 G132 N133 C135 A142 V143 E161 | F99-L101 HydrophobicContact CE2-CD2 3.83Å; F99-L101 HydrophobicContact CE2-CG 4.36Å; F99-L101 HydrophobicContact CZ-CD2 4.19Å; L101-G132 WeakPolarHBondContact CD1-O 3.49Å; L101-N133 WeakPolarHBondContact CB-O 3.37Å; L101-N133 WeakPolarHBondContact CG-O 3.15Å; L101-N133 PolarHBondContact N-O 3.18Å; L101-C135 HydrophobicContact CD1-CB 3.5Å; L101-C135 VanDerWaalsContact CD1-CB 3.5Å; L101-A142 PolarHBondContact O-N 3.5Å; L101-V143 HydrophobicContact CD2-CB 4.34Å; L101-V143 PolarHBondContact O-N 2.7Å; L101-E161 HydrophobicContact CD1-CB 4.25Å; L101-E161 HydrophobicContact CD1-CG 4.19Å |
| 102 | T | 98.4 | Very high | 96.6 | Very high | 35 Ų | 35 | 34.6 Ų | 34.6 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 5.3 | 175.8 | 78.9 | 0 | 0 | 0 | 0 | 113.1 | D100 L137 Q140 | D100-T102 PolarHBondContact O-N 3.37Å; D100-T102 VanDerWaalsContact O-N 3.16Å; D100-T102 PolarHBondContact OD1-N 3.33Å; D100-T102 PolarHBondContact OD1-OG1 3.03Å; D100-T102 VanDerWaalsContact OD1-OG1 3.07Å; D100-T102 PolarHBondContact OD2-OG1 3.25Å; T102-L137 HydrophobicContact CG2-CB 3.7Å; T102-L137 HydrophobicContact CG2-CD1 4.01Å; T102-L137 HydrophobicContact CG2-CG 4.49Å; T102-Q140 VanDerWaalsContact CA-O 3.29Å; T102-Q140 WeakPolarHBondContact CA-O 3.41Å; T102-Q140 VanDerWaalsContact CB-O 3.26Å; T102-Q140 WeakPolarHBondContact CB-O 3.27Å; T102-Q140 HydrophobicContact CG2-CB 3.76Å |
| 103 | N | 98 | Very high | 96.7 | Very high | 65 Ų | 65 | 34.6 Ų | 34.6 | 35% | 0.348 | 17% | 0.167 | S | C | . | . | trans | -139 | 97.4 | -178 | -178.9 | -10.6 | 0 | 0 | 0 | 111.3 | D100 Q105 S106 | D100-N103 HydrophobicContact CB-CB 4Å; D100-N103 CarbonylContact O-C 3.53Å; D100-N103 PolarHBondContact O-N 3.32Å; N103-Q105 VanDerWaalsContact C-N 3.28Å; N103-Q105 PolarHBondContact O-N 3.29Å; N103-Q105 WeakPolarHBondContact OD1-CB 3.34Å; N103-Q105 PolarHBondContact OD1-N 2.79Å; N103-Q105 VanDerWaalsContact OD1-N 3.12Å; N103-S106 WeakPolarHBondContact O-CB 3.31Å; N103-S106 PolarHBondContact O-N 2.88Å; N103-S106 VanDerWaalsContact O-N 3.09Å; N103-S106 PolarHBondContact O-OG 3.19Å; N103-S106 PolarHBondContact OD1-N 2.81Å | ||
| 104 | E | 97.9 | Very high | 96.7 | Very high | 115 Ų | 115 | 32.7 Ų | 32.7 | 54% | 0.537 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56 | -38.4 | 179.7 | -172.7 | -177.6 | -165.6 | 0 | 0 | 113.2 | S106 F107 L108 A142 | E104-S106 PolarHBondContact O-N 3.31Å; E104-F107 WeakPolarHBondContact O-CA 3.42Å; E104-F107 WeakPolarHBondContact O-CB 3.45Å; E104-F107 PolarHBondContact O-N 2.99Å; E104-L108 PolarHBondContact O-N 2.99Å; E104-A142 HydrophobicContact CB-CB 4.34Å |
| 105 | Q | 97.4 | Very high | 96.4 | Very high | 104 Ų | 104 | 35.6 Ų | 35.6 | 49% | 0.486 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.8 | -36.3 | 180 | -174.4 | 59.3 | 58.9 | 0 | 0 | 111.8 | N103 F107 L108 N109 | N103-Q105 VanDerWaalsContact C-N 3.28Å; N103-Q105 PolarHBondContact O-N 3.29Å; N103-Q105 WeakPolarHBondContact OD1-CB 3.34Å; N103-Q105 PolarHBondContact OD1-N 2.79Å; N103-Q105 VanDerWaalsContact OD1-N 3.12Å; Q105-F107 VanDerWaalsContact C-N 3.28Å; Q105-F107 PolarHBondContact O-N 3.05Å; Q105-L108 PolarHBondContact O-N 3.38Å; Q105-N109 PolarHBondContact NE2-OD1 3.45Å; Q105-N109 WeakPolarHBondContact O-CB 3.46Å; Q105-N109 VanDerWaalsContact O-CG 3.27Å; Q105-N109 PolarHBondContact O-N 2.92Å; Q105-N109 PolarHBondContact O-ND2 3.36Å |
| 106 | S | 97.7 | Very high | 96 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.4 | -33.5 | 176.6 | 78.1 | 0 | 0 | 0 | 0 | 112.2 | D100 N103 E104 V110 | D100-S106 PolarHBondContact N-OG 3.02Å; D100-S106 PolarHBondContact O-OG 3.25Å; N103-S106 WeakPolarHBondContact O-CB 3.31Å; N103-S106 PolarHBondContact O-N 2.88Å; N103-S106 VanDerWaalsContact O-N 3.09Å; N103-S106 PolarHBondContact O-OG 3.19Å; N103-S106 PolarHBondContact OD1-N 2.81Å; E104-S106 PolarHBondContact O-N 3.31Å; S106-V110 PolarHBondContact O-N 3.44Å |
| 107 | F | 98.5 | Very high | 95.6 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 8% | 0.083 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71 | -44.7 | 174.4 | 175.2 | -114 | 0 | 0 | 0 | 111.9 | F99 E104 Q105 N109 V110 V143 E147 A148 L151 | F99-F107 HydrophobicContact CD1-CD2 4.14Å; F99-F107 HydrophobicContact CD2-CB 3.72Å; F99-F107 AromaticContact CD2-CD2 3.89Å; F99-F107 HydrophobicContact CD2-CD2 3.89Å; F99-F107 HydrophobicContact CD2-CG 4.24Å; F99-F107 AromaticContact CE1-CD2 3.97Å; F99-F107 HydrophobicContact CE1-CD2 3.97Å; F99-F107 HydrophobicContact CE1-CE2 4.39Å; F99-F107 HydrophobicContact CE2-CB 4.14Å; F99-F107 AromaticContact CE2-CD2 3.72Å; F99-F107 HydrophobicContact CE2-CD2 3.72Å; F99-F107 HydrophobicContact CE2-CG 4.24Å; F99-F107 HydrophobicContact CG-CB 4.22Å; F99-F107 HydrophobicContact CG-CD2 4.09Å; F99-F107 AromaticContact CZ-CD2 3.76Å; F99-F107 HydrophobicContact CZ-CD2 3.76Å; F99-F107 HydrophobicContact CZ-CE2 4.22Å; E104-F107 WeakPolarHBondContact O-CA 3.42Å; E104-F107 WeakPolarHBondContact O-CB 3.45Å; E104-F107 PolarHBondContact O-N 2.99Å; Q105-F107 VanDerWaalsContact C-N 3.28Å; Q105-F107 PolarHBondContact O-N 3.05Å; F107-N109 PolarHBondContact O-N 3.27Å; F107-V110 HydrophobicContact CD2-CG2 4.4Å; F107-V110 WeakPolarHBondContact O-CB 3.36Å; F107-V110 VanDerWaalsContact O-CG2 3.24Å; F107-V110 WeakPolarHBondContact O-CG2 3.41Å; F107-V110 PolarHBondContact O-N 3.47Å; F107-V143 HydrophobicContact CB-CG1 4.23Å; F107-V143 HydrophobicContact CB-CG2 3.69Å; F107-V143 HydrophobicContact CD1-CG1 3.83Å; F107-V143 HydrophobicContact CD1-CG2 4.41Å; F107-V143 HydrophobicContact CD2-CG1 4.04Å; F107-V143 HydrophobicContact CE1-CG1 4.15Å; F107-V143 HydrophobicContact CE2-CG1 4.35Å; F107-V143 HydrophobicContact CG-CG1 3.76Å; F107-V143 HydrophobicContact CG-CG2 4.14Å; F107-V143 HydrophobicContact CZ-CG1 4.41Å; F107-E147 HydrophobicContact CE1-CB 4.41Å; F107-E147 HydrophobicContact CZ-CB 4.48Å; F107-A148 HydrophobicContact CE2-CB 3.9Å; F107-A148 HydrophobicContact CZ-CB 4.3Å; F107-L151 HydrophobicContact CD2-CD2 4.23Å; F107-L151 HydrophobicContact CE2-CB 4.22Å; F107-L151 HydrophobicContact CE2-CD2 3.43Å; F107-L151 VanDerWaalsContact CE2-CD2 3.43Å; F107-L151 HydrophobicContact CE2-CG 4.46Å; F107-L151 HydrophobicContact CZ-CB 4.01Å; F107-L151 HydrophobicContact CZ-CD2 3.7Å; F107-L151 HydrophobicContact CZ-CG 4.46Å |
| 108 | L | 97.3 | Very high | 95.1 | Very high | 74 Ų | 74 | 42.1 Ų | 42.1 | 39% | 0.387 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.4 | -36.7 | 175.1 | -65.4 | 177.6 | 0 | 0 | 0 | 111.8 | E104 Q105 V110 | E104-L108 PolarHBondContact O-N 2.99Å; Q105-L108 PolarHBondContact O-N 3.38Å; L108-V110 PolarHBondContact O-N 2.88Å |
| 109 | N | 95.9 | Very high | 94.5 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 17% | 0.171 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -13.3 | 178.4 | -74.4 | -21.6 | 0 | 0 | 0 | 114.2 | D17 Q105 F107 R111 N112 W113 | D17-N109 PolarHBondContact OD2-ND2 3.32Å; Q105-N109 PolarHBondContact NE2-OD1 3.45Å; Q105-N109 WeakPolarHBondContact O-CB 3.46Å; Q105-N109 VanDerWaalsContact O-CG 3.27Å; Q105-N109 PolarHBondContact O-N 2.92Å; Q105-N109 PolarHBondContact O-ND2 3.36Å; F107-N109 PolarHBondContact O-N 3.27Å; N109-R111 PolarHBondContact O-N 3.23Å; N109-N112 WeakPolarHBondContact O-CB 3.43Å; N109-N112 PolarHBondContact O-N 3.28Å; N109-N112 PolarHBondContact OD1-ND2 2.84Å; N109-W113 PolarHBondContact O-N 2.82Å; N109-W113 VanDerWaalsContact O-N 3.09Å |
| 110 | V | 96 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -53.9 | -38.9 | 174.1 | 171.6 | 0 | 0 | 0 | 0 | 111 | L97 F99 S106 F107 L108 N112 W113 M114 L130 L151 | L97-V110 HydrophobicContact CD2-CG1 3.77Å; L97-V110 HydrophobicContact CG-CG1 4.39Å; F99-V110 HydrophobicContact CB-CG2 3.84Å; F99-V110 HydrophobicContact CD1-CG2 3.97Å; F99-V110 HydrophobicContact CG-CG2 4.14Å; S106-V110 PolarHBondContact O-N 3.44Å; F107-V110 HydrophobicContact CD2-CG2 4.4Å; F107-V110 WeakPolarHBondContact O-CB 3.36Å; F107-V110 VanDerWaalsContact O-CG2 3.24Å; F107-V110 WeakPolarHBondContact O-CG2 3.41Å; F107-V110 PolarHBondContact O-N 3.47Å; L108-V110 PolarHBondContact O-N 2.88Å; V110-N112 VanDerWaalsContact C-N 3.3Å; V110-N112 PolarHBondContact O-N 2.98Å; V110-W113 PolarHBondContact O-N 3.36Å; V110-M114 HydrophobicContact CG1-CG 4.39Å; V110-M114 PolarHBondContact O-N 3.21Å; V110-L130 HydrophobicContact CG1-CD1 3.72Å; V110-L130 HydrophobicContact CG2-CD1 4.2Å; V110-L151 HydrophobicContact CB-CD2 4.12Å; V110-L151 HydrophobicContact CG1-CD2 3.82Å |
| 111 | R | 94.8 | Very high | 93.1 | Very high | 132 Ų | 132 | 51.1 Ų | 51.1 | 50% | 0.498 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.6 | -39.3 | 178 | -62.7 | 179.4 | -177.9 | 164.4 | 2.8 | 112.3 | N109 M114 S115 L151 | N109-R111 PolarHBondContact O-N 3.23Å; R111-M114 PolarHBondContact O-N 3.09Å; R111-S115 WeakPolarHBondContact O-CB 3.28Å; R111-S115 PolarHBondContact O-N 3.2Å; R111-L151 HydrophobicContact CG-CD1 4.29Å |
| 112 | N | 92.6 | Very high | 92.1 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 44% | 0.444 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 177.6 | -64.3 | -26.9 | 0 | 0 | 0 | 111.3 | N109 V110 Q116 | N109-N112 WeakPolarHBondContact O-CB 3.43Å; N109-N112 PolarHBondContact O-N 3.28Å; N109-N112 PolarHBondContact OD1-ND2 2.84Å; V110-N112 VanDerWaalsContact C-N 3.3Å; V110-N112 PolarHBondContact O-N 2.98Å; N112-Q116 WeakPolarHBondContact O-CG 3.23Å; N112-Q116 PolarHBondContact O-N 3.36Å; N112-Q116 VanDerWaalsContact O-N 3.16Å; N112-Q116 PolarHBondContact O-NE2 3.35Å; N112-Q116 VanDerWaalsContact O-NE2 3.16Å |
| 113 | W | 92 | Very high | 91.2 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.011 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.7 | -43.7 | 174.5 | -73.2 | 111.9 | 0 | 0 | 0 | 112.1 | L15 D17 R82 F89 L97 N109 V110 S115 Q116 L117 | L15-W113 HydrophobicContact CB-CE3 4.48Å; L15-W113 HydrophobicContact CD2-CZ3 4.47Å; D17-W113 PolarHBondContact OD1-NE1 3.43Å; R82-W113 HydrophobicContact CG-CH2 4.38Å; F89-W113 HydrophobicContact CZ-CZ3 4.48Å; L97-W113 HydrophobicContact CD1-CB 3.57Å; L97-W113 HydrophobicContact CD1-CG 3.98Å; L97-W113 HydrophobicContact CD2-CB 4.24Å; N109-W113 PolarHBondContact O-N 2.82Å; N109-W113 VanDerWaalsContact O-N 3.09Å; V110-W113 PolarHBondContact O-N 3.36Å; W113-S115 VanDerWaalsContact C-N 3.35Å; W113-S115 PolarHBondContact O-N 3.3Å; W113-Q116 PolarHBondContact O-N 3.31Å; W113-L117 WeakPolarHBondContact O-CG 3.4Å; W113-L117 PolarHBondContact O-N 2.91Å |
| 114 | M | 92.4 | Very high | 89.9 | Confident | 9 Ų | 9 | 61 Ų | 61 | 4% | 0.044 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61 | -42.1 | 175.2 | -76.8 | -56.1 | -69.4 | 0 | 0 | 112.3 | L97 V110 R111 Q116 L117 Q118 V128 Y155 I157 | L97-M114 HydrophobicContact CD2-CG 3.67Å; L97-M114 HydrophobicContact CD2-SD 3.5Å; L97-M114 WeakPolarHBondContact CD2-SD 3.43Å; V110-M114 HydrophobicContact CG1-CG 4.39Å; V110-M114 PolarHBondContact O-N 3.21Å; R111-M114 PolarHBondContact O-N 3.09Å; M114-Q116 PolarHBondContact O-N 2.92Å; M114-L117 WeakPolarHBondContact O-CB 3.49Å; M114-L117 PolarHBondContact O-N 3.25Å; M114-L117 HydrophobicContact SD-CD1 4.04Å; M114-Q118 WeakPolarHBondContact O-CG 3.41Å; M114-Q118 PolarHBondContact O-N 3.31Å; M114-V128 HydrophobicContact CE-CG2 4.41Å; M114-V128 HydrophobicContact SD-CG1 4.13Å; M114-V128 HydrophobicContact SD-CG2 4.46Å; M114-Y155 HydrophobicContact CB-CE1 4.09Å; M114-Y155 HydrophobicContact CB-CE2 4.46Å; M114-Y155 HydrophobicContact CE-CD1 4.06Å; M114-Y155 HydrophobicContact CE-CG 4.17Å; M114-Y155 HydrophobicContact CG-CD2 4.29Å; M114-Y155 HydrophobicContact CG-CE1 4.32Å; M114-Y155 HydrophobicContact CG-CE2 4.06Å; M114-I157 HydrophobicContact CE-CD1 4.47Å; M114-I157 HydrophobicContact SD-CD1 4.44Å |
| 115 | S | 90.4 | Very high | 89.1 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 43% | 0.427 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 175.4 | 178.9 | 0 | 0 | 0 | 0 | 112.2 | R111 W113 L117 Q118 M119 | R111-S115 WeakPolarHBondContact O-CB 3.28Å; R111-S115 PolarHBondContact O-N 3.2Å; W113-S115 VanDerWaalsContact C-N 3.35Å; W113-S115 PolarHBondContact O-N 3.3Å; S115-L117 VanDerWaalsContact C-N 3.34Å; S115-L117 PolarHBondContact O-N 3.48Å; S115-Q118 PolarHBondContact O-N 3.15Å; S115-M119 WeakPolarHBondContact O-CB 3.39Å; S115-M119 PolarHBondContact O-N 3.4Å |
| 116 | Q | 87.2 | Confident | 88.6 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 175.6 | -74.2 | 169.8 | 63.5 | 0 | 0 | 112.5 | F89 N112 W113 M114 M119 H120 | F89-Q116 HydrophobicContact CE2-CB 4.08Å; N112-Q116 WeakPolarHBondContact O-CG 3.23Å; N112-Q116 PolarHBondContact O-N 3.36Å; N112-Q116 VanDerWaalsContact O-N 3.16Å; N112-Q116 PolarHBondContact O-NE2 3.35Å; N112-Q116 VanDerWaalsContact O-NE2 3.16Å; W113-Q116 PolarHBondContact O-N 3.31Å; M114-Q116 PolarHBondContact O-N 2.92Å; Q116-M119 PolarHBondContact O-N 2.87Å; Q116-H120 WeakPolarHBondContact O-CB 3.26Å; Q116-H120 PolarHBondContact O-CD2 3.43Å; Q116-H120 VanDerWaalsContact O-CD2 3.31Å; Q116-H120 PolarHBondContact O-N 3.49Å; Q116-H120 VanDerWaalsContact O-N 3.1Å |
| 117 | L | 88.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -49.9 | 174 | -78.3 | 176.6 | 0 | 0 | 0 | 111.3 | L15 F89 F95 W113 M114 S115 M119 H120 A121 V128 | L15-L117 HydrophobicContact CD1-CD1 4.06Å; L15-L117 HydrophobicContact CD1-CD2 3.45Å; L15-L117 VanDerWaalsContact CD1-CD2 3.45Å; L15-L117 HydrophobicContact CD1-CG 3.92Å; F89-L117 HydrophobicContact CD2-CD2 4.02Å; F89-L117 HydrophobicContact CE2-CD2 4.04Å; F89-L117 HydrophobicContact CG-CD2 4.47Å; F89-L117 HydrophobicContact CZ-CD2 4.45Å; F95-L117 HydrophobicContact CB-CD1 4.15Å; F95-L117 HydrophobicContact CB-CD2 4.42Å; F95-L117 HydrophobicContact CD1-CD2 3.33Å; F95-L117 HydrophobicContact CD2-CD2 4Å; F95-L117 HydrophobicContact CE1-CD2 3.37Å; F95-L117 HydrophobicContact CE2-CD2 4.07Å; F95-L117 HydrophobicContact CG-CD1 4.18Å; F95-L117 HydrophobicContact CG-CD2 3.64Å; F95-L117 HydrophobicContact CZ-CD2 3.75Å; W113-L117 WeakPolarHBondContact O-CG 3.4Å; W113-L117 PolarHBondContact O-N 2.91Å; M114-L117 WeakPolarHBondContact O-CB 3.49Å; M114-L117 PolarHBondContact O-N 3.25Å; M114-L117 HydrophobicContact SD-CD1 4.04Å; S115-L117 VanDerWaalsContact C-N 3.34Å; S115-L117 PolarHBondContact O-N 3.48Å; L117-M119 PolarHBondContact O-N 3.01Å; L117-H120 PolarHBondContact O-N 3.5Å; L117-A121 WeakPolarHBondContact O-CB 3.36Å; L117-A121 PolarHBondContact O-N 3.24Å; L117-V128 HydrophobicContact CD1-CG2 4.17Å |
| 118 | Q | 87.6 | Confident | 88.5 | Confident | 99 Ų | 99 | 57.8 Ų | 57.8 | 46% | 0.463 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.3 | -31.4 | 179.1 | -71.3 | 172.5 | -25.4 | 0 | 0 | 112.7 | M114 S115 | M114-Q118 WeakPolarHBondContact O-CG 3.41Å; M114-Q118 PolarHBondContact O-N 3.31Å; S115-Q118 PolarHBondContact O-N 3.15Å |
| 119 | M | 86.2 | Confident | 88.5 | Confident | 134 Ų | 134 | 54.2 Ų | 54.2 | 66% | 0.66 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -80.8 | -29.5 | -179.7 | -169.5 | 178.2 | -68.1 | 0 | 0 | 114.1 | S115 Q116 L117 | S115-M119 WeakPolarHBondContact O-CB 3.39Å; S115-M119 PolarHBondContact O-N 3.4Å; Q116-M119 PolarHBondContact O-N 2.87Å; L117-M119 PolarHBondContact O-N 3.01Å |
| 120 | H | 84.8 | Confident | 88.7 | Confident | 50 Ų | 50 | 52.7 Ų | 52.7 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -126.2 | -12.5 | -166.3 | -57.4 | -50 | 0 | 0 | 0 | 115.2 | T86 F89 R90 Q116 L117 | T86-H120 HydrophobicContact CG2-CB 3.83Å; F89-H120 HydrophobicContact CB-CB 4.27Å; F89-H120 HydrophobicContact CD2-CB 3.85Å; F89-H120 HydrophobicContact CG-CB 4.49Å; R90-H120 VanDerWaalsContact CG-O 3.32Å; R90-H120 WeakPolarHBondContact CG-O 3.39Å; Q116-H120 WeakPolarHBondContact O-CB 3.26Å; Q116-H120 PolarHBondContact O-CD2 3.43Å; Q116-H120 VanDerWaalsContact O-CD2 3.31Å; Q116-H120 PolarHBondContact O-N 3.49Å; Q116-H120 VanDerWaalsContact O-N 3.1Å; L117-H120 PolarHBondContact O-N 3.5Å |
| 121 | A | 82.4 | Confident | 88.8 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 12% | 0.124 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -64.5 | 162.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F95 L117 C123 P126 | F95-A121 HydrophobicContact CE2-CB 4.17Å; F95-A121 HydrophobicContact CZ-CB 4.08Å; L117-A121 WeakPolarHBondContact O-CB 3.36Å; L117-A121 PolarHBondContact O-N 3.24Å; A121-C123 PolarHBondContact O-N 2.97Å; A121-P126 HydrophobicContact CB-CB 4.04Å; A121-P126 HydrophobicContact CB-CG 4.01Å |
| 122 | Y | 78.5 | Confident | 89 | Confident | 109 Ų | 109 | 46.4 Ų | 46.4 | 43% | 0.427 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -67.6 | -16.6 | -177.6 | 78.6 | -89 | 0 | 0 | 0 | 113.8 | A92 R184 | A92-Y122 WeakPolarHBondContact O-CD1 3.24Å; Y122-R184 PolarHBondContact OH-NE 3.17Å; Y122-R184 PolarHBondContact OH-NH1 3.06Å; Y122-R184 PolarHBondContact OH-NH2 2.98Å |
| 123 | C | 78 | Confident | 89.3 | Confident | 36 Ų | 36 | 42.6 Ų | 42.6 | 24% | 0.243 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -141.9 | 156.8 | 177.9 | 66.7 | 0 | 0 | 0 | 0 | 111 | A121 N125 P126 | A121-C123 PolarHBondContact O-N 2.97Å; C123-N125 PolarHBondContact O-N 2.93Å; C123-N125 PolarHBondContact SG-O 2.84Å; C123-N125 VanDerWaalsContact SG-O 3.39Å; C123-P126 WeakPolarHBondContact O-CD 3.24Å |
| 124 | E | 71.9 | Confident | 89.6 | Confident | 164 Ų | 164 | 45 Ų | 45 | 77% | 0.766 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -60.4 | -31.9 | -179.6 | -64.1 | -179 | 168.9 | 0 | 0 | 113 | P126 | E124-P126 WeakPolarHBondContact O-CD 3.5Š|
| 125 | N | 80.3 | Confident | 89.9 | Confident | 131 Ų | 131 | 44.8 Ų | 44.8 | 70% | 0.701 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -121.9 | 76 | -178.9 | -66.1 | -29.5 | 0 | 0 | 0 | 110.7 | C123 | C123-N125 PolarHBondContact O-N 2.93Å; C123-N125 PolarHBondContact SG-O 2.84Å; C123-N125 VanDerWaalsContact SG-O 3.39Å |
| 126 | P | 88.2 | Confident | 90.2 | Very high | 15 Ų | 15 | 45 Ų | 45 | 10% | 0.097 | 22% | 0.222 | C | C | . | . | trans | -66.5 | 152.1 | 175.7 | 28.3 | -32.4 | 0 | 0 | 0 | 111.2 | F95 A121 C123 E124 V128 | F95-P126 HydrophobicContact CD2-CB 3.72Å; F95-P126 HydrophobicContact CD2-CG 4.41Å; F95-P126 HydrophobicContact CE2-CB 3.46Å; F95-P126 VanDerWaalsContact CE2-CB 3.46Å; F95-P126 HydrophobicContact CE2-CG 4.28Å; A121-P126 HydrophobicContact CB-CB 4.04Å; A121-P126 HydrophobicContact CB-CG 4.01Å; C123-P126 WeakPolarHBondContact O-CD 3.24Å; E124-P126 WeakPolarHBondContact O-CD 3.5Å; P126-V128 HydrophobicContact CB-CG2 4.41Å; P126-V128 HydrophobicContact CG-CG2 4.13Å; P126-V128 PolarHBondContact O-N 3.35Å | ||
| 127 | D | 95.4 | Very high | 90.7 | Very high | 24 Ų | 24 | 46 Ų | 46 | 13% | 0.128 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 120.2 | 173.6 | -71 | -33.2 | 0 | 0 | 0 | 108.1 | G94 F95 L177 L180 I181 R184 | G94-D127 WeakPolarHBondContact CA-O 3.34Å; F95-D127 PolarHBondContact N-O 2.91Å; D127-L177 HydrophobicContact CB-CD1 3.98Å; D127-L177 WeakPolarHBondContact O-CD1 3.34Å; D127-L180 HydrophobicContact CB-CB 4.31Å; D127-I181 HydrophobicContact CB-CD1 4.31Å; D127-I181 HydrophobicContact CB-CG1 3.88Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.48Å; D127-R184 VanDerWaalsContact CG-NH1 3.25Å; D127-R184 IonicContact OD1-CZ 2.87Å; D127-R184 IonicContact OD1-NH1 3.66Å; D127-R184 IonicContact OD2-CZ 3.53Å; D127-R184 IonicContact OD2-NE 3.18Å; D127-R184 PolarHBondContact OD2-NE 3.16Å; D127-R184 VanDerWaalsContact OD2-NE 3.08Å; D127-R184 IonicContact OD2-NH1 3.82Å; D127-R184 PolarHBondContact OD2-NH1 2.81Å; D127-R184 VanDerWaalsContact OD2-NH1 3.08Å; D127-R184 IonicContact OD2-NH2 2.65Å; D127-R184 PolarHBondContact OD2-NH2 3.16Å |
| 128 | V | 97.2 | Very high | 91 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 140.2 | -176.6 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | F95 L97 M114 L117 P126 I157 P158 | F95-V128 HydrophobicContact CB-CG1 4.35Å; F95-V128 HydrophobicContact CB-CG2 4.18Å; F95-V128 HydrophobicContact CD2-CG2 4.28Å; F95-V128 WeakPolarHBondContact O-CA 3.2Å; L97-V128 HydrophobicContact CB-CG1 3.9Å; M114-V128 HydrophobicContact CE-CG2 4.41Å; M114-V128 HydrophobicContact SD-CG1 4.13Å; M114-V128 HydrophobicContact SD-CG2 4.46Å; L117-V128 HydrophobicContact CD1-CG2 4.17Å; P126-V128 HydrophobicContact CB-CG2 4.41Å; P126-V128 HydrophobicContact CG-CG2 4.13Å; P126-V128 PolarHBondContact O-N 3.35Å; V128-I157 HydrophobicContact CB-CG2 4.14Å; V128-I157 HydrophobicContact CG1-CD1 4.25Å; V128-P158 WeakPolarHBondContact O-CD 3.38Å |
| 129 | V | 98.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.8 | 165 | 173.2 | 0 | 0 | 0 | 0 | 108.5 | F95 L96 L97 P158 F160 A173 V176 L177 L180 | F95-V129 PolarHBondContact O-N 2.84Å; L96-V129 HydrophobicContact CD2-CB 4.46Å; L97-V129 PolarHBondContact N-O 3.37Å; V129-P158 HydrophobicContact CG2-CB 4.29Å; V129-P158 HydrophobicContact CG2-CG 4.25Å; V129-F160 HydrophobicContact CG1-CD2 3.63Å; V129-F160 HydrophobicContact CG1-CE2 4.01Å; V129-A173 HydrophobicContact CG1-CB 4.15Å; V129-V176 HydrophobicContact CG2-CG1 4.21Å; V129-L177 HydrophobicContact CG2-CB 3.77Å; V129-L177 HydrophobicContact CG2-CD1 4.18Å; V129-L180 HydrophobicContact CG2-CD1 4.49Å |
| 130 | L | 98.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 129.5 | 175.3 | -174 | 67.7 | 0 | 0 | 0 | 109.8 | L97 F99 V110 A152 I157 P158 Y159 F160 | L97-L130 HydrophobicContact CB-CD1 4.39Å; L97-L130 HydrophobicContact CD2-CD1 4.32Å; L97-L130 HydrophobicContact CG-CD1 4.1Å; L97-L130 WeakPolarHBondContact O-CA 3.45Å; F99-L130 HydrophobicContact CD1-CD1 3.92Å; F99-L130 HydrophobicContact CD1-CG 4.28Å; F99-L130 HydrophobicContact CE1-CD1 4.09Å; F99-L130 HydrophobicContact CE1-CD2 4.12Å; F99-L130 HydrophobicContact CE1-CG 3.95Å; V110-L130 HydrophobicContact CG1-CD1 3.72Å; V110-L130 HydrophobicContact CG2-CD1 4.2Å; L130-A152 HydrophobicContact CD2-CB 4.01Å; L130-I157 HydrophobicContact CB-CD1 3.87Å; L130-I157 HydrophobicContact CB-CG1 4.33Å; L130-P158 PolarHBondContact N-O 2.79Å; L130-Y159 HydrophobicContact CB-CD2 4.14Å; L130-Y159 HydrophobicContact CD2-CD2 3.86Å; L130-Y159 HydrophobicContact CD2-CE2 4.39Å; L130-Y159 HydrophobicContact CG-CD2 3.89Å; L130-Y159 HydrophobicContact CG-CE2 4.43Å; L130-Y159 WeakPolarHBondContact O-CA 3.34Å; L130-F160 PolarHBondContact O-N 3.26Å |
| 131 | C | 98.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 110.7 | -178.3 | -68.4 | 0 | 0 | 0 | 0 | 110.4 | L97 L98 F99 N133 F160 T162 | L97-C131 PolarHBondContact O-N 2.73Å; L98-C131 WeakPolarHBondContact CA-O 3.39Å; L98-C131 HydrophobicContact CD1-CB 4.4Å; L98-C131 HydrophobicContact CG-CB 3.89Å; F99-C131 PolarHBondContact N-O 3.02Å; C131-N133 PolarHBondContact O-N 2.85Å; C131-F160 CarbonylContact C-O 3.5Å; C131-F160 WeakPolarHBondContact CA-O 3.47Å; C131-T162 HydrophobicContact CB-CG2 4.45Å |
| 132 | G | 98.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 100.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | F99 L101 F160 E161 T162 | F99-G132 VanDerWaalsContact CZ-CA 3.46Å; L101-G132 WeakPolarHBondContact CD1-O 3.49Å; G132-F160 PolarHBondContact N-O 3.33Å; G132-E161 CarbonylContact O-C 3.54Å; G132-E161 VanDerWaalsContact O-CA 3.31Å; G132-E161 WeakPolarHBondContact O-CA 3.35Å; G132-T162 PolarHBondContact O-N 3.26Å |
| 133 | N | 98.7 | Very high | 94.4 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 166.4 | -174.4 | -167 | 29.7 | 0 | 0 | 0 | 111.9 | V20 L98 F99 L101 C131 T162 A164 | V20-N133 PolarHBondContact O-ND2 3.09Å; L98-N133 HydrophobicContact CD2-CB 4.5Å; F99-N133 WeakPolarHBondContact O-CB 3.38Å; F99-N133 PolarHBondContact O-N 3.49Å; L101-N133 WeakPolarHBondContact CB-O 3.37Å; L101-N133 WeakPolarHBondContact CG-O 3.15Å; L101-N133 PolarHBondContact N-O 3.18Å; C131-N133 PolarHBondContact O-N 2.85Å; N133-T162 CarbonylContact C-O 3.5Å; N133-T162 VanDerWaalsContact C-O 3.31Å; N133-T162 VanDerWaalsContact CA-O 3.27Å; N133-T162 WeakPolarHBondContact CA-O 3.44Å; N133-T162 PolarHBondContact OD1-O 2.94Å; N133-T162 PolarHBondContact OD1-OG1 3.46Å; N133-A164 PolarHBondContact OD1-N 3.25Å |
| 134 | K | 98.3 | Very high | 95.3 | Very high | 53 Ų | 53 | 58 Ų | 58 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | trans | 66.6 | 34.7 | -178.3 | -44.4 | -169.3 | -164.4 | 166.6 | 0 | 113.9 | G19 D100 D136 L137 T162 | G19-K134 WeakPolarHBondContact O-CE 3.49Å; G19-K134 PolarHBondContact O-NZ 3.21Å; D100-K134 VanDerWaalsContact OD1-CD 3.29Å; D100-K134 WeakPolarHBondContact OD1-CD 3.37Å; D100-K134 IonicContact OD1-NZ 3.92Å; D100-K134 VanDerWaalsContact OD2-CE 3.23Å; D100-K134 WeakPolarHBondContact OD2-CE 3.4Å; D100-K134 IonicContact OD2-NZ 3.72Å; D100-K134 PolarHBondContact OD2-NZ 3.38Å; K134-D136 WeakPolarHBondContact CA-OD1 3.45Å; K134-D136 PolarHBondContact O-N 3.47Å; K134-D136 VanDerWaalsContact O-N 3.09Å; K134-L137 HydrophobicContact CB-CD1 4.2Å; K134-L137 HydrophobicContact CB-CG 4.46Å; K134-L137 HydrophobicContact CD-CD1 4.24Å; K134-L137 PolarHBondContact O-N 3.02Å; K134-T162 PolarHBondContact N-O 3.35Å | ||
| 135 | C | 98.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.034 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -10.5 | 177.5 | 71.2 | 0 | 0 | 0 | 0 | 114 | L101 L137 Q138 E161 T162 | L101-C135 HydrophobicContact CD1-CB 3.5Å; L101-C135 VanDerWaalsContact CD1-CB 3.5Å; C135-L137 VanDerWaalsContact C-N 3.28Å; C135-Q138 PolarHBondContact O-NE2 2.79Å; C135-E161 HydrophobicContact CB-CB 3.98Å; C135-T162 PolarHBondContact N-O 3.23Å; C135-T162 PolarHBondContact SG-O 3Å; C135-T162 VanDerWaalsContact SG-O 3.32Å |
| 136 | D | 98.1 | Very high | 97.4 | Very high | 66 Ų | 66 | 51.3 Ų | 51.3 | 35% | 0.353 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -21.3 | 169.9 | 55.7 | -70.1 | 0 | 0 | 0 | 113.4 | K134 Q138 S163 | K134-D136 WeakPolarHBondContact CA-OD1 3.45Å; K134-D136 PolarHBondContact O-N 3.47Å; K134-D136 VanDerWaalsContact O-N 3.09Å; D136-Q138 PolarHBondContact O-N 2.81Å; D136-S163 WeakPolarHBondContact OD1-CB 3.37Å; D136-S163 PolarHBondContact OD1-OG 3.47Å |
| 137 | L | 97.1 | Very high | 97.9 | Very high | 60 Ų | 60 | 54.5 Ų | 54.5 | 31% | 0.314 | 26% | 0.26 | S | S | . | . | trans | -93.9 | 54 | -178.6 | -58.4 | -179 | 0 | 0 | 0 | 112.4 | T102 K134 C135 E139 Q140 R141 | T102-L137 HydrophobicContact CG2-CB 3.7Å; T102-L137 HydrophobicContact CG2-CD1 4.01Å; T102-L137 HydrophobicContact CG2-CG 4.49Å; K134-L137 HydrophobicContact CB-CD1 4.2Å; K134-L137 HydrophobicContact CB-CG 4.46Å; K134-L137 HydrophobicContact CD-CD1 4.24Å; K134-L137 PolarHBondContact O-N 3.02Å; C135-L137 VanDerWaalsContact C-N 3.28Å; L137-E139 VanDerWaalsContact C-N 3.26Å; L137-E139 PolarHBondContact O-N 2.87Å; L137-Q140 HydrophobicContact CB-CB 4.4Å; L137-Q140 PolarHBondContact O-N 3.28Å; L137-R141 PolarHBondContact O-N 2.92Å | ||
| 138 | Q | 96.4 | Very high | 98 | Very high | 103 Ų | 103 | 53.3 Ų | 53.3 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -56.6 | -35.9 | -173.9 | -70.2 | -67.4 | -22.9 | 0 | 0 | 113.9 | C135 D136 Q140 R141 | C135-Q138 PolarHBondContact O-NE2 2.79Å; D136-Q138 PolarHBondContact O-N 2.81Å; Q138-Q140 PolarHBondContact O-N 3.49Å; Q138-R141 VanDerWaalsContact O-CB 3.25Å; Q138-R141 WeakPolarHBondContact O-CB 3.43Å; Q138-R141 PolarHBondContact O-N 2.79Å; Q138-R141 VanDerWaalsContact OE1-NH1 3.1Å |
| 139 | E | 97.4 | Very high | 98 | Very high | 199 Ų | 199 | 58.4 Ų | 58.4 | 93% | 0.93 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -68.5 | -20.4 | 179.1 | -62.6 | -176.8 | 172.8 | 0 | 0 | 113.5 | L137 | L137-E139 VanDerWaalsContact C-N 3.26Å; L137-E139 PolarHBondContact O-N 2.87Å |
| 140 | Q | 97.6 | Very high | 98 | Very high | 122 Ų | 122 | 65 Ų | 65 | 57% | 0.57 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -103.7 | 9 | -180 | -60.8 | 177.7 | 31.3 | 0 | 0 | 112 | T102 L137 Q138 A142 | T102-Q140 VanDerWaalsContact CA-O 3.29Å; T102-Q140 WeakPolarHBondContact CA-O 3.41Å; T102-Q140 VanDerWaalsContact CB-O 3.26Å; T102-Q140 WeakPolarHBondContact CB-O 3.27Å; T102-Q140 HydrophobicContact CG2-CB 3.76Å; L137-Q140 HydrophobicContact CB-CB 4.4Å; L137-Q140 PolarHBondContact O-N 3.28Å; Q138-Q140 PolarHBondContact O-N 3.49Å; Q140-A142 PolarHBondContact O-N 2.86Å |
| 141 | R | 98.3 | Very high | 98 | Very high | 78 Ų | 78 | 65.5 Ų | 65.5 | 29% | 0.294 | 31% | 0.306 | S | S | . | . | trans | -62.1 | 123.5 | -176 | -171.6 | 178.3 | -157.8 | 157.7 | 4.5 | 110.8 | L137 Q138 V143 E161 | L137-R141 PolarHBondContact O-N 2.92Å; Q138-R141 VanDerWaalsContact O-CB 3.25Å; Q138-R141 WeakPolarHBondContact O-CB 3.43Å; Q138-R141 PolarHBondContact O-N 2.79Å; Q138-R141 VanDerWaalsContact OE1-NH1 3.1Å; R141-V143 VanDerWaalsContact CG-O 3.28Å; R141-V143 WeakPolarHBondContact CG-O 3.42Å; R141-V143 PolarHBondContact NE-O 2.7Å; R141-E161 IonicContact CZ-OE1 3.18Å; R141-E161 IonicContact CZ-OE2 3.48Å; R141-E161 IonicContact NH1-OE2 3.97Å; R141-E161 IonicContact NH2-OE1 2.95Å; R141-E161 PolarHBondContact NH2-OE1 2.8Å; R141-E161 IonicContact NH2-OE2 3.38Å; R141-E161 PolarHBondContact NH2-OE2 3.39Å | ||
| 142 | A | 98.3 | Very high | 98 | Very high | 46 Ų | 46 | 65.7 Ų | 65.7 | 38% | 0.38 | 31% | 0.307 | S | S | . | . | trans | -110.7 | -15.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L101 E104 Q140 | L101-A142 PolarHBondContact O-N 3.5Å; E104-A142 HydrophobicContact CB-CB 4.34Å; Q140-A142 PolarHBondContact O-N 2.86Å | ||
| 143 | V | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -117.9 | 127.2 | -179.2 | -176 | 0 | 0 | 0 | 0 | 109.6 | F99 L101 F107 R141 A148 | F99-V143 HydrophobicContact CE2-CB 4.18Å; F99-V143 HydrophobicContact CE2-CG1 3.88Å; F99-V143 HydrophobicContact CE2-CG2 4.27Å; F99-V143 HydrophobicContact CZ-CG1 4.45Å; L101-V143 HydrophobicContact CD2-CB 4.34Å; L101-V143 PolarHBondContact O-N 2.7Å; F107-V143 HydrophobicContact CB-CG1 4.23Å; F107-V143 HydrophobicContact CB-CG2 3.69Å; F107-V143 HydrophobicContact CD1-CG1 3.83Å; F107-V143 HydrophobicContact CD1-CG2 4.41Å; F107-V143 HydrophobicContact CD2-CG1 4.04Å; F107-V143 HydrophobicContact CE1-CG1 4.15Å; F107-V143 HydrophobicContact CE2-CG1 4.35Å; F107-V143 HydrophobicContact CG-CG1 3.76Å; F107-V143 HydrophobicContact CG-CG2 4.14Å; F107-V143 HydrophobicContact CZ-CG1 4.41Å; R141-V143 VanDerWaalsContact CG-O 3.28Å; R141-V143 WeakPolarHBondContact CG-O 3.42Å; R141-V143 PolarHBondContact NE-O 2.7Å; V143-A148 HydrophobicContact CG1-CB 4.33Å |
| 144 | R | 97.8 | Very high | 97.8 | Very high | 144 Ų | 144 | 80 Ų | 80 | 54% | 0.543 | 37% | 0.372 | S | S | . | . | trans | -80.2 | 148.4 | 179.2 | -55.9 | 169.3 | 50.7 | 161.8 | 0.3 | 111 | D146 E147 A148 | R144-D146 VanDerWaalsContact C-N 3.32Å; R144-D146 WeakPolarHBondContact CB-OD1 3.29Å; R144-D146 IonicContact CZ-OD1 3.95Å; R144-D146 IonicContact CZ-OD2 3.08Å; R144-D146 IonicContact NE-OD1 3.55Å; R144-D146 PolarHBondContact NE-OD1 2.59Å; R144-D146 IonicContact NE-OD2 3.08Å; R144-D146 IonicContact NH2-OD1 3.54Å; R144-D146 IonicContact NH2-OD2 2.73Å; R144-D146 PolarHBondContact NH2-OD2 3.22Å; R144-D146 PolarHBondContact O-N 3.42Å; R144-E147 HydrophobicContact CB-CG 4.18Å; R144-E147 PolarHBondContact N-OE2 3.09Å; R144-E147 PolarHBondContact O-N 3.15Å; R144-A148 PolarHBondContact O-N 3.35Å | ||
| 145 | E | 97.4 | Very high | 97.7 | Very high | 76 Ų | 76 | 80.6 Ų | 80.6 | 36% | 0.355 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -39.7 | -178.2 | -169.2 | -177 | 141.5 | 0 | 0 | 112.6 | A148 R149 | E145-A148 PolarHBondContact O-N 2.92Å; E145-R149 VanDerWaalsContact O-CB 3.26Å; E145-R149 WeakPolarHBondContact O-CB 3.29Å; E145-R149 PolarHBondContact O-N 2.88Å; E145-R149 IonicContact OE1-CZ 3.91Å; E145-R149 IonicContact OE1-NH1 2.76Å; E145-R149 PolarHBondContact OE1-NH1 3.15Å; E145-R149 IonicContact OE1-NH2 3.38Å; E145-R149 PolarHBondContact OE1-NH2 3.45Å |
| 146 | D | 97.9 | Very high | 97.6 | Very high | 78 Ų | 78 | 83.6 Ų | 83.6 | 42% | 0.417 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65 | -42.8 | -179.9 | 50.3 | -24.2 | 0 | 0 | 0 | 112 | R144 R149 E150 | R144-D146 VanDerWaalsContact C-N 3.32Å; R144-D146 WeakPolarHBondContact CB-OD1 3.29Å; R144-D146 IonicContact CZ-OD1 3.95Å; R144-D146 IonicContact CZ-OD2 3.08Å; R144-D146 IonicContact NE-OD1 3.55Å; R144-D146 PolarHBondContact NE-OD1 2.59Å; R144-D146 IonicContact NE-OD2 3.08Å; R144-D146 IonicContact NH2-OD1 3.54Å; R144-D146 IonicContact NH2-OD2 2.73Å; R144-D146 PolarHBondContact NH2-OD2 3.22Å; R144-D146 PolarHBondContact O-N 3.42Å; D146-R149 PolarHBondContact O-N 3.33Å; D146-E150 WeakPolarHBondContact O-CB 3.32Å; D146-E150 PolarHBondContact O-N 2.88Å |
| 147 | E | 97.8 | Very high | 97.6 | Very high | 82 Ų | 82 | 81.5 Ų | 81.5 | 38% | 0.383 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 176.2 | -64.6 | 174.2 | 154.5 | 0 | 0 | 112 | F107 R144 L151 | F107-E147 HydrophobicContact CE1-CB 4.41Å; F107-E147 HydrophobicContact CZ-CB 4.48Å; R144-E147 HydrophobicContact CB-CG 4.18Å; R144-E147 PolarHBondContact N-OE2 3.09Å; R144-E147 PolarHBondContact O-N 3.15Å; E147-L151 PolarHBondContact O-N 2.86Å; E147-L151 VanDerWaalsContact O-N 3.08Å |
| 148 | A | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.3 | -38.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F99 F107 V143 R144 E145 L151 A152 Y159 | F99-A148 HydrophobicContact CZ-CB 3.8Å; F107-A148 HydrophobicContact CE2-CB 3.9Å; F107-A148 HydrophobicContact CZ-CB 4.3Å; V143-A148 HydrophobicContact CG1-CB 4.33Å; R144-A148 PolarHBondContact O-N 3.35Å; E145-A148 PolarHBondContact O-N 2.92Å; A148-L151 PolarHBondContact O-N 2.95Å; A148-A152 PolarHBondContact O-N 3.39Å; A148-Y159 HydrophobicContact CB-CE1 3.81Å; A148-Y159 HydrophobicContact CB-CE2 3.91Å; A148-Y159 VanDerWaalsContact CB-CZ 3.42Å; A148-Y159 VanDerWaalsContact CB-OH 3.31Å; A148-Y159 WeakPolarHBondContact CB-OH 2.89Å |
| 149 | R | 98.4 | Very high | 97.8 | Very high | 110 Ų | 110 | 77.4 Ų | 77.4 | 42% | 0.415 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.3 | -45.2 | 175 | -178.2 | 172.5 | -70.7 | 128.4 | 3.3 | 111.6 | E145 D146 L151 A152 E153 Y159 | E145-R149 VanDerWaalsContact O-CB 3.26Å; E145-R149 WeakPolarHBondContact O-CB 3.29Å; E145-R149 PolarHBondContact O-N 2.88Å; E145-R149 IonicContact OE1-CZ 3.91Å; E145-R149 IonicContact OE1-NH1 2.76Å; E145-R149 PolarHBondContact OE1-NH1 3.15Å; E145-R149 IonicContact OE1-NH2 3.38Å; E145-R149 PolarHBondContact OE1-NH2 3.45Å; D146-R149 PolarHBondContact O-N 3.33Å; R149-L151 VanDerWaalsContact C-N 3.29Å; R149-L151 PolarHBondContact O-N 3.24Å; R149-A152 WeakPolarHBondContact O-CB 3.39Å; R149-A152 PolarHBondContact O-N 3.38Å; R149-A152 VanDerWaalsContact O-N 3.13Å; R149-E153 HydrophobicContact CG-CG 4.48Å; R149-E153 WeakPolarHBondContact O-CG 3.14Å; R149-E153 PolarHBondContact O-N 3.16Å; R149-Y159 HydrophobicContact CB-CD1 4.39Å |
| 150 | E | 98.4 | Very high | 97.8 | Very high | 139 Ų | 139 | 69.9 Ų | 69.9 | 65% | 0.65 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.6 | -41.8 | 176.3 | -172.7 | -174 | 169.9 | 0 | 0 | 111.2 | D146 A152 E153 K154 | D146-E150 WeakPolarHBondContact O-CB 3.32Å; D146-E150 PolarHBondContact O-N 2.88Å; E150-A152 PolarHBondContact O-N 3.06Å; E150-E153 PolarHBondContact O-N 2.95Å; E150-K154 WeakPolarHBondContact O-CB 3.47Å; E150-K154 PolarHBondContact O-N 2.95Å |
| 151 | L | 97.9 | Very high | 97.9 | Very high | 10 Ų | 10 | 65.4 Ų | 65.4 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.1 | -43.2 | 175.4 | -172.2 | 68.7 | 0 | 0 | 0 | 111.8 | F107 V110 R111 E147 A148 R149 K154 Y155 | F107-L151 HydrophobicContact CD2-CD2 4.23Å; F107-L151 HydrophobicContact CE2-CB 4.22Å; F107-L151 HydrophobicContact CE2-CD2 3.43Å; F107-L151 VanDerWaalsContact CE2-CD2 3.43Å; F107-L151 HydrophobicContact CE2-CG 4.46Å; F107-L151 HydrophobicContact CZ-CB 4.01Å; F107-L151 HydrophobicContact CZ-CD2 3.7Å; F107-L151 HydrophobicContact CZ-CG 4.46Å; V110-L151 HydrophobicContact CB-CD2 4.12Å; V110-L151 HydrophobicContact CG1-CD2 3.82Å; R111-L151 HydrophobicContact CG-CD1 4.29Å; E147-L151 PolarHBondContact O-N 2.86Å; E147-L151 VanDerWaalsContact O-N 3.08Å; A148-L151 PolarHBondContact O-N 2.95Å; R149-L151 VanDerWaalsContact C-N 3.29Å; R149-L151 PolarHBondContact O-N 3.24Å; L151-K154 PolarHBondContact O-N 2.83Å; L151-Y155 HydrophobicContact CD1-CD2 4.23Å; L151-Y155 HydrophobicContact CD1-CE2 3.63Å; L151-Y155 HydrophobicContact CG-CD2 4.13Å; L151-Y155 HydrophobicContact CG-CE2 3.89Å; L151-Y155 WeakPolarHBondContact O-CD2 3.33Å; L151-Y155 PolarHBondContact O-N 3.08Å |
| 152 | A | 98.1 | Very high | 97.9 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L130 A148 R149 E150 K154 Y155 G156 I157 Y159 | L130-A152 HydrophobicContact CD2-CB 4.01Å; A148-A152 PolarHBondContact O-N 3.39Å; R149-A152 WeakPolarHBondContact O-CB 3.39Å; R149-A152 PolarHBondContact O-N 3.38Å; R149-A152 VanDerWaalsContact O-N 3.13Å; E150-A152 PolarHBondContact O-N 3.06Å; A152-K154 VanDerWaalsContact C-N 3.33Å; A152-K154 PolarHBondContact O-N 2.83Å; A152-Y155 CarbonylContact O-C 3.59Å; A152-Y155 PolarHBondContact O-N 3.5Å; A152-G156 PolarHBondContact O-N 2.92Å; A152-I157 HydrophobicContact CB-CG1 4.21Å; A152-I157 PolarHBondContact O-N 2.7Å; A152-Y159 HydrophobicContact CB-CG 4.39Å |
| 153 | E | 97.9 | Very high | 97.9 | Very high | 137 Ų | 137 | 59.5 Ų | 59.5 | 64% | 0.64 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -60.4 | -42 | 174.9 | -74.3 | 175.5 | -172.7 | 0 | 0 | 111.6 | R149 E150 Y155 G156 | R149-E153 HydrophobicContact CG-CG 4.48Å; R149-E153 WeakPolarHBondContact O-CG 3.14Å; R149-E153 PolarHBondContact O-N 3.16Å; E150-E153 PolarHBondContact O-N 2.95Å; E153-Y155 VanDerWaalsContact C-N 3.26Å; E153-Y155 PolarHBondContact O-N 3.08Å; E153-G156 PolarHBondContact O-N 2.98Å |
| 154 | K | 96.8 | Very high | 97.9 | Very high | 166 Ų | 166 | 59.6 Ų | 59.6 | 72% | 0.722 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.4 | -35.6 | 176.1 | -177.2 | 177 | -179.5 | 174 | 0 | 113 | E150 L151 A152 | E150-K154 WeakPolarHBondContact O-CB 3.47Å; E150-K154 PolarHBondContact O-N 2.95Å; L151-K154 PolarHBondContact O-N 2.83Å; A152-K154 VanDerWaalsContact C-N 3.33Å; A152-K154 PolarHBondContact O-N 2.83Å |
| 155 | Y | 95.5 | Very high | 97.9 | Very high | 66 Ų | 66 | 54.5 Ų | 54.5 | 26% | 0.259 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -87.9 | -8.6 | 175.3 | -71 | -63.5 | 0 | 0 | 0 | 113.4 | M114 L151 A152 E153 I157 | M114-Y155 HydrophobicContact CB-CE1 4.09Å; M114-Y155 HydrophobicContact CB-CE2 4.46Å; M114-Y155 HydrophobicContact CE-CD1 4.06Å; M114-Y155 HydrophobicContact CE-CG 4.17Å; M114-Y155 HydrophobicContact CG-CD2 4.29Å; M114-Y155 HydrophobicContact CG-CE1 4.32Å; M114-Y155 HydrophobicContact CG-CE2 4.06Å; L151-Y155 HydrophobicContact CD1-CD2 4.23Å; L151-Y155 HydrophobicContact CD1-CE2 3.63Å; L151-Y155 HydrophobicContact CG-CD2 4.13Å; L151-Y155 HydrophobicContact CG-CE2 3.89Å; L151-Y155 WeakPolarHBondContact O-CD2 3.33Å; L151-Y155 PolarHBondContact O-N 3.08Å; A152-Y155 CarbonylContact O-C 3.59Å; A152-Y155 PolarHBondContact O-N 3.5Å; E153-Y155 VanDerWaalsContact C-N 3.26Å; E153-Y155 PolarHBondContact O-N 3.08Å; Y155-I157 VanDerWaalsContact C-N 3.34Å |
| 156 | G | 96.4 | Very high | 97.8 | Very high | 68 Ų | 68 | 55.2 Ų | 55.2 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 32.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A152 E153 | A152-G156 PolarHBondContact O-N 2.92Å; E153-G156 PolarHBondContact O-N 2.98Å |
| 157 | I | 97.6 | Very high | 97.8 | Very high | 23 Ų | 23 | 52.2 Ų | 52.2 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | trans | -115.5 | 148.5 | -175.9 | 64.5 | -178.8 | 0 | 0 | 0 | 111.6 | M114 V128 L130 A152 Y155 | M114-I157 HydrophobicContact CE-CD1 4.47Å; M114-I157 HydrophobicContact SD-CD1 4.44Å; V128-I157 HydrophobicContact CB-CG2 4.14Å; V128-I157 HydrophobicContact CG1-CD1 4.25Å; L130-I157 HydrophobicContact CB-CD1 3.87Å; L130-I157 HydrophobicContact CB-CG1 4.33Å; A152-I157 HydrophobicContact CB-CG1 4.21Å; A152-I157 PolarHBondContact O-N 2.7Å; Y155-I157 VanDerWaalsContact C-N 3.34Å | ||
| 158 | P | 98.5 | Very high | 97.8 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 27% | 0.266 | 27% | 0.27 | S | S | . | . | trans | -63.9 | 147 | 173.3 | -20.8 | 33.3 | 0 | 0 | 0 | 112.3 | V128 V129 L130 F160 V176 L180 | V128-P158 WeakPolarHBondContact O-CD 3.38Å; V129-P158 HydrophobicContact CG2-CB 4.29Å; V129-P158 HydrophobicContact CG2-CG 4.25Å; L130-P158 PolarHBondContact N-O 2.79Å; P158-F160 HydrophobicContact CB-CE2 3.99Å; P158-V176 HydrophobicContact CB-CG1 4.07Å; P158-V176 HydrophobicContact CG-CG1 3.92Å; P158-L180 HydrophobicContact CG-CD1 4.05Å | ||
| 159 | Y | 98.7 | Very high | 97.8 | Very high | 35 Ų | 35 | 56.6 Ų | 56.6 | 14% | 0.137 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.5 | 176.5 | 174 | -122.8 | 0 | 0 | 0 | 111.8 | F99 L130 A148 R149 A152 E161 | F99-Y159 AromaticContact CE1-CE2 3.77Å; F99-Y159 HydrophobicContact CE1-CE2 3.77Å; F99-Y159 AromaticContact CZ-CE2 3.82Å; F99-Y159 HydrophobicContact CZ-CE2 3.82Å; L130-Y159 HydrophobicContact CB-CD2 4.14Å; L130-Y159 HydrophobicContact CD2-CD2 3.86Å; L130-Y159 HydrophobicContact CD2-CE2 4.39Å; L130-Y159 HydrophobicContact CG-CD2 3.89Å; L130-Y159 HydrophobicContact CG-CE2 4.43Å; L130-Y159 WeakPolarHBondContact O-CA 3.34Å; A148-Y159 HydrophobicContact CB-CE1 3.81Å; A148-Y159 HydrophobicContact CB-CE2 3.91Å; A148-Y159 VanDerWaalsContact CB-CZ 3.42Å; A148-Y159 VanDerWaalsContact CB-OH 3.31Å; A148-Y159 WeakPolarHBondContact CB-OH 2.89Å; R149-Y159 HydrophobicContact CB-CD1 4.39Å; A152-Y159 HydrophobicContact CB-CG 4.39Å; Y159-E161 HydrophobicContact CE1-CG 3.82Å; Y159-E161 HydrophobicContact CE2-CG 4.44Å; Y159-E161 WeakPolarHBondContact OH-CG 3.46Å; Y159-E161 PolarHBondContact OH-OE1 2.91Å |
| 160 | F | 98.8 | Very high | 97.8 | Very high | 42 Ų | 42 | 51.4 Ų | 51.4 | 18% | 0.184 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 137.1 | 173.1 | -66.3 | -87 | 0 | 0 | 0 | 111.4 | V129 L130 C131 G132 P158 T162 F169 Q172 A173 V176 | V129-F160 HydrophobicContact CG1-CD2 3.63Å; V129-F160 HydrophobicContact CG1-CE2 4.01Å; L130-F160 PolarHBondContact O-N 3.26Å; C131-F160 CarbonylContact C-O 3.5Å; C131-F160 WeakPolarHBondContact CA-O 3.47Å; G132-F160 PolarHBondContact N-O 3.33Å; P158-F160 HydrophobicContact CB-CE2 3.99Å; F160-T162 HydrophobicContact CB-CG2 3.71Å; F160-F169 HydrophobicContact CB-CB 4.44Å; F160-F169 HydrophobicContact CD1-CB 4.25Å; F160-F169 HydrophobicContact CD1-CD1 4.37Å; F160-F169 HydrophobicContact CD1-CG 4.47Å; F160-Q172 HydrophobicContact CE1-CB 4.37Å; F160-A173 HydrophobicContact CB-CB 4.21Å; F160-A173 HydrophobicContact CD2-CB 3.84Å; F160-A173 HydrophobicContact CG-CB 4.02Å; F160-V176 HydrophobicContact CE2-CB 4.18Å; F160-V176 HydrophobicContact CE2-CG1 4.16Å; F160-V176 HydrophobicContact CE2-CG2 4.21Å; F160-V176 HydrophobicContact CZ-CB 4.29Å; F160-V176 HydrophobicContact CZ-CG1 4.44Å; F160-V176 HydrophobicContact CZ-CG2 3.8Å |
| 161 | E | 98.8 | Very high | 97.8 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 13% | 0.131 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 115.3 | 163.2 | -65.7 | -161 | 163.5 | 0 | 0 | 109.5 | L101 G132 C135 R141 Y159 F169 | L101-E161 HydrophobicContact CD1-CB 4.25Å; L101-E161 HydrophobicContact CD1-CG 4.19Å; G132-E161 CarbonylContact O-C 3.54Å; G132-E161 VanDerWaalsContact O-CA 3.31Å; G132-E161 WeakPolarHBondContact O-CA 3.35Å; C135-E161 HydrophobicContact CB-CB 3.98Å; R141-E161 IonicContact CZ-OE1 3.18Å; R141-E161 IonicContact CZ-OE2 3.48Å; R141-E161 IonicContact NH1-OE2 3.97Å; R141-E161 IonicContact NH2-OE1 2.95Å; R141-E161 PolarHBondContact NH2-OE1 2.8Å; R141-E161 IonicContact NH2-OE2 3.38Å; R141-E161 PolarHBondContact NH2-OE2 3.39Å; Y159-E161 HydrophobicContact CE1-CG 3.82Å; Y159-E161 HydrophobicContact CE2-CG 4.44Å; Y159-E161 WeakPolarHBondContact OH-CG 3.46Å; Y159-E161 PolarHBondContact OH-OE1 2.91Å; E161-F169 VanDerWaalsContact O-CD2 3.28Å; E161-F169 WeakPolarHBondContact O-CD2 3.27Å |
| 162 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 154 | -167.9 | 64 | 0 | 0 | 0 | 0 | 110.9 | F25 C131 G132 N133 K134 C135 F160 Q168 F169 A173 | F25-T162 HydrophobicContact CE2-CG2 3.96Å; C131-T162 HydrophobicContact CB-CG2 4.45Å; G132-T162 PolarHBondContact O-N 3.26Å; N133-T162 CarbonylContact C-O 3.5Å; N133-T162 VanDerWaalsContact C-O 3.31Å; N133-T162 VanDerWaalsContact CA-O 3.27Å; N133-T162 WeakPolarHBondContact CA-O 3.44Å; N133-T162 PolarHBondContact OD1-O 2.94Å; N133-T162 PolarHBondContact OD1-OG1 3.46Å; K134-T162 PolarHBondContact N-O 3.35Å; C135-T162 PolarHBondContact N-O 3.23Å; C135-T162 PolarHBondContact SG-O 3Å; C135-T162 VanDerWaalsContact SG-O 3.32Å; F160-T162 HydrophobicContact CB-CG2 3.71Å; T162-Q168 VanDerWaalsContact CA-O 3.27Å; T162-Q168 WeakPolarHBondContact CA-O 3.37Å; T162-F169 HydrophobicContact CG2-CB 4Å; T162-A173 HydrophobicContact CG2-CB 4.4Å |
| 163 | S | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | trans | -131.3 | 113.1 | 169.2 | 170.8 | 0 | 0 | 0 | 0 | 109.5 | D136 A165 N166 G167 Q168 V170 | D136-S163 WeakPolarHBondContact OD1-CB 3.37Å; D136-S163 PolarHBondContact OD1-OG 3.47Å; S163-A165 PolarHBondContact O-N 2.94Å; S163-A165 PolarHBondContact OG-N 3.16Å; S163-N166 WeakPolarHBondContact CB-OD1 3.5Å; S163-N166 PolarHBondContact OG-N 3.16Å; S163-N166 PolarHBondContact OG-OD1 3.46Å; S163-G167 CarbonylContact O-C 3.53Å; S163-G167 WeakPolarHBondContact O-CA 3.43Å; S163-G167 PolarHBondContact O-N 3.05Å; S163-Q168 PolarHBondContact N-O 3.38Å; S163-Q168 PolarHBondContact O-N 3.43Å; S163-V170 WeakPolarHBondContact O-CG2 3.4Å | ||
| 164 | A | 97.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 3% | 0.025 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -22.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | F25 Q28 F34 N133 | F25-A164 HydrophobicContact CB-CB 4.46Å; Q28-A164 HydrophobicContact CB-CB 4.46Å; Q28-A164 VanDerWaalsContact CG-O 3.32Å; Q28-A164 WeakPolarHBondContact CG-O 3.43Å; Q28-A164 PolarHBondContact OE1-O 2.89Å; F34-A164 HydrophobicContact CD2-CB 4.36Å; F34-A164 WeakPolarHBondContact CD2-O 3.46Å; F34-A164 HydrophobicContact CE2-CB 4.48Å; N133-A164 PolarHBondContact OD1-N 3.25Å |
| 165 | A | 97.1 | Very high | 97.8 | Very high | 37 Ų | 37 | 38.7 Ų | 38.7 | 31% | 0.306 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -42.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F34 S163 | F34-A165 HydrophobicContact CD1-CB 4.27Å; F34-A165 HydrophobicContact CD2-CB 4.33Å; F34-A165 HydrophobicContact CE1-CB 4.18Å; F34-A165 HydrophobicContact CE2-CB 4.26Å; F34-A165 HydrophobicContact CG-CB 4.33Å; F34-A165 HydrophobicContact CZ-CB 4.18Å; S163-A165 PolarHBondContact O-N 2.94Å; S163-A165 PolarHBondContact OG-N 3.16Å |
| 166 | N | 96.6 | Very high | 97.9 | Very high | 91 Ų | 91 | 37.7 Ų | 37.7 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -6 | -177.9 | 67.9 | 22.3 | 0 | 0 | 0 | 113.8 | S163 Q168 | S163-N166 WeakPolarHBondContact CB-OD1 3.5Å; S163-N166 PolarHBondContact OG-N 3.16Å; S163-N166 PolarHBondContact OG-OD1 3.46Å; N166-Q168 WeakPolarHBondContact OD1-CB 3.27Å; N166-Q168 PolarHBondContact OD1-N 3.48Å |
| 167 | G | 97.5 | Very high | 98 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 17% | 0.165 | 18% | 0.184 | C | C | . | . | trans | 85.5 | 3.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q28 S163 F169 V170 | Q28-G167 VanDerWaalsContact NE2-CA 3.3Å; S163-G167 CarbonylContact O-C 3.53Å; S163-G167 WeakPolarHBondContact O-CA 3.43Å; S163-G167 PolarHBondContact O-N 3.05Å; G167-F169 PolarHBondContact O-N 2.78Å; G167-V170 PolarHBondContact O-N 2.76Å | ||
| 168 | Q | 98.4 | Very high | 98 | Very high | 84 Ų | 84 | 33.6 Ų | 33.6 | 39% | 0.393 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 124.6 | 179.9 | 176.2 | 172.3 | -14.8 | 0 | 0 | 110.9 | T162 S163 N166 V170 | T162-Q168 VanDerWaalsContact CA-O 3.27Å; T162-Q168 WeakPolarHBondContact CA-O 3.37Å; S163-Q168 PolarHBondContact N-O 3.38Å; S163-Q168 PolarHBondContact O-N 3.43Å; N166-Q168 WeakPolarHBondContact OD1-CB 3.27Å; N166-Q168 PolarHBondContact OD1-N 3.48Å; Q168-V170 PolarHBondContact O-N 2.77Å |
| 169 | F | 98.3 | Very high | 97.8 | Very high | 90 Ų | 90 | 33.7 Ų | 33.7 | 40% | 0.395 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 4 | 179.3 | -63.2 | -64.2 | 0 | 0 | 0 | 117.1 | F160 E161 T162 G167 S171 Q172 A173 | F160-F169 HydrophobicContact CB-CB 4.44Å; F160-F169 HydrophobicContact CD1-CB 4.25Å; F160-F169 HydrophobicContact CD1-CD1 4.37Å; F160-F169 HydrophobicContact CD1-CG 4.47Å; E161-F169 VanDerWaalsContact O-CD2 3.28Å; E161-F169 WeakPolarHBondContact O-CD2 3.27Å; T162-F169 HydrophobicContact CG2-CB 4Å; G167-F169 PolarHBondContact O-N 2.78Å; F169-S171 PolarHBondContact O-N 2.86Å; F169-Q172 VanDerWaalsContact CA-OE1 3.22Å; F169-Q172 HydrophobicContact CD1-CB 4.25Å; F169-Q172 HydrophobicContact CD1-CG 4.15Å; F169-Q172 PolarHBondContact O-N 2.94Å; F169-A173 WeakPolarHBondContact O-CB 3.25Å; F169-A173 PolarHBondContact O-N 2.79Å |
| 170 | V | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | -179.9 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | F25 Q28 S163 G167 Q168 V174 | F25-V170 HydrophobicContact CD1-CG1 4.29Å; F25-V170 HydrophobicContact CD2-CG1 4.19Å; F25-V170 HydrophobicContact CD2-CG2 3.96Å; F25-V170 HydrophobicContact CE1-CG1 4.04Å; F25-V170 HydrophobicContact CE2-CB 4.1Å; F25-V170 HydrophobicContact CE2-CG1 3.95Å; F25-V170 HydrophobicContact CE2-CG2 3.87Å; F25-V170 HydrophobicContact CG-CG1 4.34Å; F25-V170 HydrophobicContact CZ-CB 4.32Å; F25-V170 HydrophobicContact CZ-CG1 3.87Å; Q28-V170 HydrophobicContact CB-CG1 4.4Å; Q28-V170 HydrophobicContact CG-CG1 4.36Å; Q28-V170 HydrophobicContact CG-CG2 4.21Å; S163-V170 WeakPolarHBondContact O-CG2 3.4Å; G167-V170 PolarHBondContact O-N 2.76Å; Q168-V170 PolarHBondContact O-N 2.77Å; V170-V174 WeakPolarHBondContact O-CG2 3.42Å |
| 171 | S | 97.6 | Very high | 97.4 | Very high | 23 Ų | 23 | 32.4 Ų | 32.4 | 16% | 0.161 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.3 | -42 | -179.3 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | K32 F169 A173 V174 D175 | K32-S171 PolarHBondContact NZ-OG 2.8Å; F169-S171 PolarHBondContact O-N 2.86Å; S171-A173 VanDerWaalsContact C-N 3.34Å; S171-A173 PolarHBondContact O-N 3.18Å; S171-V174 PolarHBondContact O-N 3.18Å; S171-V174 VanDerWaalsContact O-N 3.13Å; S171-D175 WeakPolarHBondContact O-CB 3.41Å; S171-D175 PolarHBondContact O-N 2.95Å |
| 172 | Q | 98.1 | Very high | 97.1 | Very high | 88 Ų | 88 | 31.2 Ų | 31.2 | 41% | 0.411 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.1 | -44.2 | 178.5 | -66.1 | 84.8 | -18.5 | 0 | 0 | 112.1 | F160 F169 V174 D175 V176 | F160-Q172 HydrophobicContact CE1-CB 4.37Å; F169-Q172 VanDerWaalsContact CA-OE1 3.22Å; F169-Q172 HydrophobicContact CD1-CB 4.25Å; F169-Q172 HydrophobicContact CD1-CG 4.15Å; F169-Q172 PolarHBondContact O-N 2.94Å; Q172-V174 VanDerWaalsContact C-N 3.34Å; Q172-V174 PolarHBondContact O-N 2.74Å; Q172-D175 PolarHBondContact O-N 2.85Å; Q172-V176 WeakPolarHBondContact O-CB 3.38Å; Q172-V176 WeakPolarHBondContact O-CG2 3.44Å; Q172-V176 PolarHBondContact O-N 2.83Å |
| 173 | A | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F25 V129 F160 T162 F169 S171 L177 | F25-A173 HydrophobicContact CZ-CB 4.18Å; V129-A173 HydrophobicContact CG1-CB 4.15Å; F160-A173 HydrophobicContact CB-CB 4.21Å; F160-A173 HydrophobicContact CD2-CB 3.84Å; F160-A173 HydrophobicContact CG-CB 4.02Å; T162-A173 HydrophobicContact CG2-CB 4.4Å; F169-A173 WeakPolarHBondContact O-CB 3.25Å; F169-A173 PolarHBondContact O-N 2.79Å; S171-A173 VanDerWaalsContact C-N 3.34Å; S171-A173 PolarHBondContact O-N 3.18Å; A173-L177 PolarHBondContact O-N 2.78Å; A173-L177 VanDerWaalsContact O-N 3.15Å |
| 174 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72 | -40.2 | 178 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | F12 F25 Y29 L96 V170 S171 Q172 V176 L177 L178 | F12-V174 HydrophobicContact CD2-CG1 4.06Å; F12-V174 HydrophobicContact CE2-CG1 3.79Å; F25-V174 HydrophobicContact CE1-CG2 3.77Å; F25-V174 HydrophobicContact CZ-CG2 4.16Å; Y29-V174 HydrophobicContact CD1-CG1 4.35Å; Y29-V174 HydrophobicContact CD1-CG2 4.37Å; Y29-V174 HydrophobicContact CD2-CB 4.04Å; Y29-V174 HydrophobicContact CD2-CG1 4.37Å; Y29-V174 HydrophobicContact CD2-CG2 3.89Å; Y29-V174 HydrophobicContact CE1-CB 4.45Å; Y29-V174 HydrophobicContact CE1-CG1 3.75Å; Y29-V174 HydrophobicContact CE2-CB 3.74Å; Y29-V174 HydrophobicContact CE2-CG1 3.8Å; Y29-V174 HydrophobicContact CE2-CG2 4.1Å; Y29-V174 HydrophobicContact CG-CG2 4.03Å; Y29-V174 VanDerWaalsContact CZ-CG1 3.44Å; L96-V174 HydrophobicContact CD1-CG2 4.13Å; L96-V174 HydrophobicContact CD2-CG2 4.34Å; V170-V174 WeakPolarHBondContact O-CG2 3.42Å; S171-V174 PolarHBondContact O-N 3.18Å; S171-V174 VanDerWaalsContact O-N 3.13Å; Q172-V174 VanDerWaalsContact C-N 3.34Å; Q172-V174 PolarHBondContact O-N 2.74Å; V174-V176 VanDerWaalsContact C-N 3.33Å; V174-V176 PolarHBondContact O-N 3.43Å; V174-L177 PolarHBondContact O-N 3.06Å; V174-L178 WeakPolarHBondContact O-CB 3.45Å; V174-L178 PolarHBondContact O-N 3.27Å |
| 175 | D | 96.8 | Very high | 95.8 | Very high | 77 Ų | 77 | 39.6 Ų | 39.6 | 41% | 0.412 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.1 | -38.1 | 178.6 | -66.8 | -24.5 | 0 | 0 | 0 | 111.2 | S171 Q172 L178 D179 | S171-D175 WeakPolarHBondContact O-CB 3.41Å; S171-D175 PolarHBondContact O-N 2.95Å; Q172-D175 PolarHBondContact O-N 2.85Å; D175-L178 PolarHBondContact O-N 3.44Å; D175-D179 WeakPolarHBondContact O-CB 3.35Å; D175-D179 PolarHBondContact O-N 3.17Å |
| 176 | V | 97.9 | Very high | 95.2 | Very high | 45 Ų | 45 | 41 Ų | 41 | 27% | 0.273 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.6 | -43.2 | 174.5 | 167.3 | 0 | 0 | 0 | 0 | 111.3 | V129 P158 F160 Q172 V174 L178 D179 L180 | V129-V176 HydrophobicContact CG2-CG1 4.21Å; P158-V176 HydrophobicContact CB-CG1 4.07Å; P158-V176 HydrophobicContact CG-CG1 3.92Å; F160-V176 HydrophobicContact CE2-CB 4.18Å; F160-V176 HydrophobicContact CE2-CG1 4.16Å; F160-V176 HydrophobicContact CE2-CG2 4.21Å; F160-V176 HydrophobicContact CZ-CB 4.29Å; F160-V176 HydrophobicContact CZ-CG1 4.44Å; F160-V176 HydrophobicContact CZ-CG2 3.8Å; Q172-V176 WeakPolarHBondContact O-CB 3.38Å; Q172-V176 WeakPolarHBondContact O-CG2 3.44Å; Q172-V176 PolarHBondContact O-N 2.83Å; V174-V176 VanDerWaalsContact C-N 3.33Å; V174-V176 PolarHBondContact O-N 3.43Å; V176-L178 VanDerWaalsContact C-N 3.29Å; V176-L178 PolarHBondContact O-N 2.99Å; V176-D179 PolarHBondContact O-N 3Å; V176-L180 WeakPolarHBondContact O-CG 3.49Å; V176-L180 PolarHBondContact O-N 2.81Å |
| 177 | L | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -41.7 | 174.2 | -178.5 | 59.3 | 0 | 0 | 0 | 111.4 | F12 L96 D127 V129 A173 V174 L180 I181 | F12-L177 HydrophobicContact CB-CD2 4.33Å; F12-L177 HydrophobicContact CD1-CD2 3.85Å; F12-L177 HydrophobicContact CD1-CG 4.2Å; F12-L177 HydrophobicContact CD2-CD2 4.01Å; F12-L177 HydrophobicContact CE1-CD2 4.17Å; F12-L177 HydrophobicContact CE1-CG 4.03Å; F12-L177 HydrophobicContact CE2-CD2 4.29Å; F12-L177 HydrophobicContact CE2-CG 4.42Å; F12-L177 HydrophobicContact CG-CD2 3.8Å; F12-L177 HydrophobicContact CZ-CD2 4.37Å; F12-L177 HydrophobicContact CZ-CG 4.14Å; L96-L177 HydrophobicContact CD2-CD2 3.86Å; L96-L177 HydrophobicContact CG-CD2 3.79Å; D127-L177 HydrophobicContact CB-CD1 3.98Å; D127-L177 WeakPolarHBondContact O-CD1 3.34Å; V129-L177 HydrophobicContact CG2-CB 3.77Å; V129-L177 HydrophobicContact CG2-CD1 4.18Å; A173-L177 PolarHBondContact O-N 2.78Å; A173-L177 VanDerWaalsContact O-N 3.15Å; V174-L177 PolarHBondContact O-N 3.06Å; L177-L180 PolarHBondContact O-N 3.28Å; L177-I181 HydrophobicContact CD1-CD1 4.02Å; L177-I181 HydrophobicContact CG-CD1 4.09Å; L177-I181 WeakPolarHBondContact O-CD1 3.41Å; L177-I181 WeakPolarHBondContact O-CG1 3.44Å; L177-I181 PolarHBondContact O-N 3.49Å |
| 178 | L | 96.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.8 | -47.9 | 175.6 | -179.6 | 61.3 | 0 | 0 | 0 | 111.5 | I10 F12 V51 Y53 I68 V174 D175 V176 L180 I181 M182 | I10-L178 HydrophobicContact CG1-CD1 4.18Å; I10-L178 HydrophobicContact CG2-CD1 4.27Å; F12-L178 HydrophobicContact CE2-CB 4.36Å; F12-L178 HydrophobicContact CZ-CB 3.92Å; F12-L178 HydrophobicContact CZ-CD1 4.05Å; V51-L178 HydrophobicContact CG2-CD2 3.87Å; Y53-L178 HydrophobicContact CD2-CD2 4.35Å; Y53-L178 HydrophobicContact CD2-CG 4.38Å; I68-L178 HydrophobicContact CG2-CD1 4.1Å; V174-L178 WeakPolarHBondContact O-CB 3.45Å; V174-L178 PolarHBondContact O-N 3.27Å; D175-L178 PolarHBondContact O-N 3.44Å; V176-L178 VanDerWaalsContact C-N 3.29Å; V176-L178 PolarHBondContact O-N 2.99Å; L178-L180 PolarHBondContact O-N 2.62Å; L178-I181 PolarHBondContact O-N 3.03Å; L178-I181 VanDerWaalsContact O-N 3.15Å; L178-M182 HydrophobicContact CD1-CG 3.94Å; L178-M182 HydrophobicContact CD1-SD 4.22Å; L178-M182 HydrophobicContact CG-CG 4.17Å; L178-M182 VanDerWaalsContact O-CG 3.27Å; L178-M182 WeakPolarHBondContact O-CG 3.13Å; L178-M182 PolarHBondContact O-N 3.33Å |
| 179 | D | 95.4 | Very high | 92.3 | Very high | 44 Ų | 44 | 47 Ų | 47 | 24% | 0.235 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.5 | -43.9 | 177.7 | 176.2 | 71.5 | 0 | 0 | 0 | 112.4 | Y53 D175 V176 I181 M182 K183 | Y53-D179 HydrophobicContact CE2-CB 4.32Å; Y53-D179 PolarHBondContact OH-OD1 3.15Å; Y53-D179 VanDerWaalsContact OH-OD1 3.09Å; D175-D179 WeakPolarHBondContact O-CB 3.35Å; D175-D179 PolarHBondContact O-N 3.17Å; V176-D179 PolarHBondContact O-N 3Å; D179-I181 VanDerWaalsContact C-N 3.3Å; D179-I181 PolarHBondContact O-N 3.46Å; D179-M182 PolarHBondContact O-N 3.29Å; D179-K183 WeakPolarHBondContact O-CB 3.24Å; D179-K183 VanDerWaalsContact O-CG 3.31Å; D179-K183 WeakPolarHBondContact O-CG 3.42Å; D179-K183 PolarHBondContact O-N 3.09Å; D179-K183 WeakPolarHBondContact OD1-CE 3.43Å; D179-K183 IonicContact OD1-NZ 3.51Å; D179-K183 PolarHBondContact OD1-NZ 3.12Å; D179-K183 VanDerWaalsContact OD2-CE 3.29Å; D179-K183 WeakPolarHBondContact OD2-CE 3.04Å; D179-K183 IonicContact OD2-NZ 2.69Å; D179-K183 PolarHBondContact OD2-NZ 3.23Å |
| 180 | L | 95 | Very high | 90.5 | Very high | 48 Ų | 48 | 48 Ų | 48 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -56.2 | -45.5 | 175.3 | -71 | 175.6 | 0 | 0 | 0 | 111.9 | D127 V129 P158 V176 L177 L178 R184 | D127-L180 HydrophobicContact CB-CB 4.31Å; V129-L180 HydrophobicContact CG2-CD1 4.49Å; P158-L180 HydrophobicContact CG-CD1 4.05Å; V176-L180 WeakPolarHBondContact O-CG 3.49Å; V176-L180 PolarHBondContact O-N 2.81Å; L177-L180 PolarHBondContact O-N 3.28Å; L178-L180 PolarHBondContact O-N 2.62Å; L180-R184 WeakPolarHBondContact O-CB 3.42Å; L180-R184 PolarHBondContact O-N 3.48Å |
| 181 | I | 93.9 | Very high | 88.2 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.6 | -43.3 | -177 | -70.7 | 163.4 | 0 | 0 | 0 | 111.2 | I10 F12 M93 D127 L177 L178 D179 R184 M185 | I10-I181 HydrophobicContact CD1-CG2 4.12Å; I10-I181 HydrophobicContact CG2-CG2 4.46Å; F12-I181 HydrophobicContact CD1-CD1 3.95Å; F12-I181 HydrophobicContact CE1-CD1 3.28Å; F12-I181 HydrophobicContact CZ-CD1 4.18Å; M93-I181 HydrophobicContact CB-CD1 4.25Å; M93-I181 HydrophobicContact CB-CG2 4.46Å; M93-I181 HydrophobicContact CE-CG2 4.37Å; D127-I181 HydrophobicContact CB-CD1 4.31Å; D127-I181 HydrophobicContact CB-CG1 3.88Å; D127-I181 WeakPolarHBondContact OD2-CG1 3.48Å; L177-I181 HydrophobicContact CD1-CD1 4.02Å; L177-I181 HydrophobicContact CG-CD1 4.09Å; L177-I181 WeakPolarHBondContact O-CD1 3.41Å; L177-I181 WeakPolarHBondContact O-CG1 3.44Å; L177-I181 PolarHBondContact O-N 3.49Å; L178-I181 PolarHBondContact O-N 3.03Å; L178-I181 VanDerWaalsContact O-N 3.15Å; D179-I181 VanDerWaalsContact C-N 3.3Å; D179-I181 PolarHBondContact O-N 3.46Å; I181-R184 WeakPolarHBondContact O-CB 3.45Å; I181-R184 PolarHBondContact O-N 3.22Å; I181-R184 VanDerWaalsContact O-N 3.16Å; I181-M185 HydrophobicContact CG2-CE 4.09Å; I181-M185 WeakPolarHBondContact O-CG 3.41Å; I181-M185 PolarHBondContact O-N 3.05Å |
| 182 | M | 92.3 | Very high | 85.7 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.015 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.1 | -45 | 176.8 | -65.2 | -54.1 | -69.1 | 0 | 0 | 110.9 | Y8 I10 Y53 I68 L178 D179 R184 M185 E186 | Y8-M182 HydrophobicContact CD2-CE 4.01Å; Y8-M182 HydrophobicContact CE2-CE 4.13Å; Y8-M182 HydrophobicContact CG-CE 4.41Å; I10-M182 HydrophobicContact CD1-SD 4.3Å; Y53-M182 HydrophobicContact CD1-CB 4.21Å; Y53-M182 HydrophobicContact CD1-CE 3.97Å; Y53-M182 HydrophobicContact CD1-CG 3.95Å; Y53-M182 HydrophobicContact CD2-CG 4.22Å; Y53-M182 HydrophobicContact CE1-CB 3.69Å; Y53-M182 HydrophobicContact CE1-CE 4.38Å; Y53-M182 HydrophobicContact CE1-CG 3.95Å; Y53-M182 HydrophobicContact CE2-CB 4.26Å; Y53-M182 HydrophobicContact CE2-CG 4.23Å; Y53-M182 HydrophobicContact CG-CG 4.08Å; I68-M182 HydrophobicContact CD1-CE 3.73Å; I68-M182 HydrophobicContact CD1-SD 3.99Å; L178-M182 HydrophobicContact CD1-CG 3.94Å; L178-M182 HydrophobicContact CD1-SD 4.22Å; L178-M182 HydrophobicContact CG-CG 4.17Å; L178-M182 VanDerWaalsContact O-CG 3.27Å; L178-M182 WeakPolarHBondContact O-CG 3.13Å; L178-M182 PolarHBondContact O-N 3.33Å; D179-M182 PolarHBondContact O-N 3.29Å; M182-R184 VanDerWaalsContact C-N 3.29Å; M182-R184 PolarHBondContact O-N 3.25Å; M182-M185 WeakPolarHBondContact O-CB 3.49Å; M182-M185 PolarHBondContact O-N 3.02Å; M182-M185 VanDerWaalsContact O-N 3.15Å; M182-M185 HydrophobicContact SD-SD 4.24Å; M182-E186 WeakPolarHBondContact O-CG 3.5Å; M182-E186 PolarHBondContact O-N 3.14Å |
| 183 | K | 90.8 | Very high | 82.9 | Confident | 94 Ų | 94 | 65 Ų | 65 | 41% | 0.409 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.2 | -34.1 | 173.5 | -75.2 | 172.9 | 175.6 | 164.2 | 0 | 113 | D179 R187 | D179-K183 WeakPolarHBondContact O-CB 3.24Å; D179-K183 VanDerWaalsContact O-CG 3.31Å; D179-K183 WeakPolarHBondContact O-CG 3.42Å; D179-K183 PolarHBondContact O-N 3.09Å; D179-K183 WeakPolarHBondContact OD1-CE 3.43Å; D179-K183 IonicContact OD1-NZ 3.51Å; D179-K183 PolarHBondContact OD1-NZ 3.12Å; D179-K183 VanDerWaalsContact OD2-CE 3.29Å; D179-K183 WeakPolarHBondContact OD2-CE 3.04Å; D179-K183 IonicContact OD2-NZ 2.69Å; D179-K183 PolarHBondContact OD2-NZ 3.23Å; K183-R187 WeakPolarHBondContact O-CG 3.36Å; K183-R187 PolarHBondContact O-N 3.31Å; K183-R187 PolarHBondContact O-NE 3.27Å |
| 184 | R | 89.8 | Confident | 80.1 | Confident | 39 Ų | 39 | 71.2 Ų | 71.2 | 15% | 0.147 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -69.5 | -40.9 | 174.3 | -174.6 | 172.3 | 60.1 | -173.1 | -2.9 | 111.2 | M93 Y122 D127 L180 I181 M182 R187 C188 | M93-R184 PolarHBondContact O-NH2 3.23Å; Y122-R184 PolarHBondContact OH-NE 3.17Å; Y122-R184 PolarHBondContact OH-NH1 3.06Å; Y122-R184 PolarHBondContact OH-NH2 2.98Å; D127-R184 VanDerWaalsContact CG-NH1 3.25Å; D127-R184 IonicContact OD1-CZ 2.87Å; D127-R184 IonicContact OD1-NH1 3.66Å; D127-R184 IonicContact OD2-CZ 3.53Å; D127-R184 IonicContact OD2-NE 3.18Å; D127-R184 PolarHBondContact OD2-NE 3.16Å; D127-R184 VanDerWaalsContact OD2-NE 3.08Å; D127-R184 IonicContact OD2-NH1 3.82Å; D127-R184 PolarHBondContact OD2-NH1 2.81Å; D127-R184 VanDerWaalsContact OD2-NH1 3.08Å; D127-R184 IonicContact OD2-NH2 2.65Å; D127-R184 PolarHBondContact OD2-NH2 3.16Å; L180-R184 WeakPolarHBondContact O-CB 3.42Å; L180-R184 PolarHBondContact O-N 3.48Å; I181-R184 WeakPolarHBondContact O-CB 3.45Å; I181-R184 PolarHBondContact O-N 3.22Å; I181-R184 VanDerWaalsContact O-N 3.16Å; M182-R184 VanDerWaalsContact C-N 3.29Å; M182-R184 PolarHBondContact O-N 3.25Å; R184-R187 PolarHBondContact O-N 3.22Å; R184-C188 PolarHBondContact O-N 3.3Å; R184-C188 VanDerWaalsContact O-N 3.15Å; R184-C188 PolarHBondContact O-SG 3.15Å; R184-C188 VanDerWaalsContact O-SG 3.33Å |
| 185 | M | 87.1 | Confident | 77.3 | Confident | 46 Ų | 46 | 75.8 Ų | 75.8 | 23% | 0.227 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 174.2 | -71.5 | -174.3 | 174 | 0 | 0 | 112 | Y8 I10 M93 I181 M182 R187 C188 V189 | Y8-M185 HydrophobicContact CD1-SD 4.21Å; I10-M185 HydrophobicContact CD1-CE 3.26Å; I10-M185 HydrophobicContact CD1-SD 4.07Å; M93-M185 HydrophobicContact CE-CE 3.06Å; M93-M185 HydrophobicContact SD-CE 4.11Å; I181-M185 HydrophobicContact CG2-CE 4.09Å; I181-M185 WeakPolarHBondContact O-CG 3.41Å; I181-M185 PolarHBondContact O-N 3.05Å; M182-M185 WeakPolarHBondContact O-CB 3.49Å; M182-M185 PolarHBondContact O-N 3.02Å; M182-M185 VanDerWaalsContact O-N 3.15Å; M182-M185 HydrophobicContact SD-SD 4.24Å; M185-R187 VanDerWaalsContact C-N 3.33Å; M185-R187 PolarHBondContact O-N 2.85Å; M185-C188 PolarHBondContact O-N 3.1Å; M185-C188 VanDerWaalsContact O-N 3.09Å; M185-V189 WeakPolarHBondContact O-CG2 3.44Å; M185-V189 PolarHBondContact O-N 3.31Å |
| 186 | E | 85.1 | Confident | 74.9 | Confident | 66 Ų | 66 | 80.4 Ų | 80.4 | 31% | 0.308 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -54.4 | -48.4 | 177.2 | -72.3 | 172.4 | 175.4 | 0 | 0 | 111 | S55 M182 C188 V189 D190 | S55-E186 PolarHBondContact OG-OE1 3.38Å; M182-E186 WeakPolarHBondContact O-CG 3.5Å; M182-E186 PolarHBondContact O-N 3.14Å; E186-C188 VanDerWaalsContact C-N 3.3Å; E186-C188 PolarHBondContact O-N 3.26Å; E186-V189 PolarHBondContact O-N 3.47Å; E186-V189 VanDerWaalsContact O-N 3.17Å; E186-D190 PolarHBondContact O-N 2.89Å |
| 187 | R | 84 | Confident | 72.4 | Confident | 148 Ų | 148 | 81 Ų | 81 | 56% | 0.558 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.6 | -32.5 | 177.3 | -73.5 | 179.6 | -72.7 | 171.2 | -1.7 | 114.2 | K183 R184 M185 K191 | K183-R187 WeakPolarHBondContact O-CG 3.36Å; K183-R187 PolarHBondContact O-N 3.31Å; K183-R187 PolarHBondContact O-NE 3.27Å; R184-R187 PolarHBondContact O-N 3.22Å; M185-R187 VanDerWaalsContact C-N 3.33Å; M185-R187 PolarHBondContact O-N 2.85Å; R187-K191 WeakPolarHBondContact O-CG 3.21Å; R187-K191 PolarHBondContact O-N 3.4Å |
| 188 | C | 77.1 | Confident | 69.7 | Low | 84 Ų | 84 | 87 Ų | 87 | 57% | 0.568 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -75.9 | -34.9 | 177.1 | -70.6 | 0 | 0 | 0 | 0 | 112 | R184 M185 E186 S192 | R184-C188 PolarHBondContact O-N 3.3Å; R184-C188 VanDerWaalsContact O-N 3.15Å; R184-C188 PolarHBondContact O-SG 3.15Å; R184-C188 VanDerWaalsContact O-SG 3.33Å; M185-C188 PolarHBondContact O-N 3.1Å; M185-C188 VanDerWaalsContact O-N 3.09Å; E186-C188 VanDerWaalsContact C-N 3.3Å; E186-C188 PolarHBondContact O-N 3.26Å; C188-S192 PolarHBondContact O-N 3.41Å |
| 189 | V | 69.3 | Low | 66.7 | Low | 86 Ų | 86 | 93 Ų | 93 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.1 | -45.1 | 175.9 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | M185 E186 K191 S192 | M185-V189 WeakPolarHBondContact O-CG2 3.44Å; M185-V189 PolarHBondContact O-N 3.31Å; E186-V189 PolarHBondContact O-N 3.47Å; E186-V189 VanDerWaalsContact O-N 3.17Å; V189-K191 VanDerWaalsContact C-N 3.29Å; V189-K191 PolarHBondContact O-N 3.04Å; V189-S192 WeakPolarHBondContact O-CB 3.39Å; V189-S192 PolarHBondContact O-N 2.83Å; V189-S192 PolarHBondContact O-OG 2.89Å |
| 190 | D | 60.3 | Low | 63.7 | Low | 112 Ų | 112 | 102.2 Ų | 102.2 | 60% | 0.599 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.3 | -35.2 | -179 | -73 | -20.2 | 0 | 0 | 0 | 112.8 | E186 S192 W193 | E186-D190 PolarHBondContact O-N 2.89Å; D190-S192 VanDerWaalsContact C-N 3.3Å; D190-S192 PolarHBondContact O-N 3.36Å; D190-W193 PolarHBondContact O-N 3.38Å |
| 191 | K | 49.9 | Very low | 60.7 | Low | 160 Ų | 160 | 105.1 Ų | 105.1 | 70% | 0.696 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -69.4 | -26.4 | 175.8 | -75.4 | 179.1 | -179.5 | -178.6 | 0 | 113.5 | R187 V189 W193 | R187-K191 WeakPolarHBondContact O-CG 3.21Å; R187-K191 PolarHBondContact O-N 3.4Å; V189-K191 VanDerWaalsContact C-N 3.29Å; V189-K191 PolarHBondContact O-N 3.04Å; K191-W193 PolarHBondContact O-N 3.31Å |
| 192 | S | 45.8 | Very low | 57.7 | Low | 97 Ų | 97 | 113 Ų | 113 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -10.6 | 176.7 | 74.3 | 0 | 0 | 0 | 0 | 113.1 | C188 V189 D190 | C188-S192 PolarHBondContact O-N 3.41Å; V189-S192 WeakPolarHBondContact O-CB 3.39Å; V189-S192 PolarHBondContact O-N 2.83Å; V189-S192 PolarHBondContact O-OG 2.89Å; D190-S192 VanDerWaalsContact C-N 3.3Å; D190-S192 PolarHBondContact O-N 3.36Å |
| 193 | W | 39.8 | Very low | 54.8 | Low | 210 Ų | 210 | 116.4 Ų | 116.4 | 80% | 0.795 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 6.4 | 179.1 | -146 | -23.8 | 0 | 0 | 0 | 114 | D190 K191 P195 | D190-W193 PolarHBondContact O-N 3.38Å; K191-W193 PolarHBondContact O-N 3.31Å; W193-P195 WeakPolarHBondContact O-CD 3.25Å |
| 194 | I | 40.4 | Very low | 51.9 | Low | 130 Ų | 130 | 120.8 Ų | 120.8 | 67% | 0.667 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -81.6 | 108.7 | 166.5 | -53.4 | 176.6 | 0 | 0 | 0 | 106.6 | D196 | I194-D196 PolarHBondContact O-N 3.47Š|
| 195 | P | 38.5 | Very low | 49.1 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 62% | 0.623 | 68% | 0.684 | S | S | * | * | trans | -65.5 | 130 | 171.2 | -4.5 | 22.3 | 0 | 0 | 0 | 106.9 | W193 G197 | W193-P195 WeakPolarHBondContact O-CD 3.25Å; P195-G197 PolarHBondContact O-N 3.28Å | ||
| 196 | D | 46.1 | Very low | 46.4 | Very low | 174 Ų | 174 | 126.2 Ų | 126.2 | 93% | 0.93 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -51.9 | 115.8 | 163.5 | -167.6 | 16.5 | 0 | 0 | 0 | 108.2 | I194 | I194-D196 PolarHBondContact O-N 3.47Š|
| 197 | G | 45.7 | Very low | 43.9 | Very low | 58 Ų | 58 | 131.5 Ų | 131.5 | 60% | 0.598 | 74% | 0.736 | S | S | * | * | trans | 96.4 | 78.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | P195 | P195-G197 PolarHBondContact O-N 3.28Š| ||
| 198 | T | 40.9 | Very low | 41.5 | Very low | 126 Ų | 126 | 131 Ų | 131 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | trans | -161.6 | 78.9 | 134.4 | -9.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 199 | V | 33.2 | Very low | 39.4 | Very low | 131 Ų | 131 | 133.2 Ų | 133.2 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -121.8 | 88.5 | 149.3 | -178.4 | 0 | 0 | 0 | 0 | 107.2 | S201 | V199-S201 WeakPolarHBondContact CG1-OG 3.32Å; V199-S201 PolarHBondContact O-N 3.46Å | ||
| 200 | R | 33.4 | Very low | 37.7 | Very low | 238 Ų | 238 | 136.2 Ų | 136.2 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | trans | -82 | 97.9 | 155.5 | -82.6 | -175.9 | 167.2 | -176.1 | -3.6 | 106.8 | N202 | R200-N202 PolarHBondContact O-N 3.35Š| ||
| 201 | S | 31.7 | Very low | 36.5 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -78.7 | 103.9 | 163.6 | -68.9 | 0 | 0 | 0 | 0 | 108.3 | V199 | V199-S201 WeakPolarHBondContact CG1-OG 3.32Å; V199-S201 PolarHBondContact O-N 3.46Å | ||
| 202 | N | 30.9 | Very low | 35.8 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | -95.1 | 115.2 | 167.6 | -130.7 | 17.4 | 0 | 0 | 0 | 107.9 | R200 | R200-N202 PolarHBondContact O-N 3.35Š| ||
| 203 | G | 30.5 | Very low | 35.5 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -165.5 | 98 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 204 | H | 31.1 | Very low | 35.4 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | trans | -55.8 | 138.9 | 179.7 | -103.6 | 40.3 | 0 | 0 | 0 | 114.8 | ||||
| 205 | S | 30.9 | Very low | 35.1 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | 169.1 | 125.9 | 111.5 | 58.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 206 | G | 29 | Very low | 34.9 | Very low | 79 Ų | 79 | 139.6 Ų | 139.6 | 81% | 0.814 | 80% | 0.795 | S | S | * | * | trans | 158.9 | 75.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 207 | H | 34.2 | Very low | 34.5 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | trans | -54.5 | 128.9 | 167.8 | -131.7 | -75.8 | 0 | 0 | 0 | 111.2 | ||||
| 208 | T | 32.4 | Very low | 34.1 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -162 | 106.8 | 139.2 | 39.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 209 | D | 33.1 | Very low | 33.8 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | trans | -57.2 | 149.9 | 152.3 | -89.9 | -53.1 | 0 | 0 | 0 | 109.7 | ||||
| 210 | I | 34.3 | Very low | 34.1 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 76% | 0.764 | 80% | 0.8 | S | S | * | * | 169.1 | 111 | 124.1 | -83.8 | 158.2 | 0 | 0 | 0 | 110.7 | |||||
| 211 | T | 34.2 | Very low | 34.3 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | 67.7 | 116 | 142.8 | 60.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 212 | E | 36.4 | Very low | 34.7 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -67.3 | 157.8 | 139.1 | -67.5 | -172.2 | 143 | 0 | 0 | 110.6 | ||||
| 213 | P | 39 | Very low | 35.4 | Very low | 125 Ų | 125 | 142 Ų | 142 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | -138.5 | 150.8 | 101 | 33.7 | -19.2 | 0 | 0 | 0 | 115 | |||||
| 214 | K | 37.1 | Very low | 35.7 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -57.3 | 144.2 | 166 | -62.1 | 172.5 | 175.2 | 175.6 | 0 | 112.3 | ||||
| 215 | T | 34.1 | Very low | 35.9 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | -173.4 | 129.4 | 121.3 | 4.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 216 | Q | 35.1 | Very low | 36.2 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 77% | 0.771 | 82% | 0.821 | S | S | * | * | trans | 54.5 | 119.2 | 130.9 | -84.9 | 174.6 | -7.2 | 0 | 0 | 124.9 | ||||
| 217 | E | 36.9 | Very low | 36.6 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | 66.9 | 137.3 | 120.4 | -93.9 | -163.5 | 165.2 | 0 | 0 | 124.2 | |||||
| 218 | K | 38.3 | Very low | 36.8 | Very low | 188 Ų | 188 | 146.6 Ų | 146.6 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | trans | 84.5 | 115.7 | 150.2 | -73.4 | 172 | -176.3 | 170.2 | 0 | 119.6 | ||||
| 219 | G | 34.8 | Very low | 37.1 | Very low | 73 Ų | 73 | 147.2 Ų | 147.2 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | 131.8 | 107.3 | 108.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 220 | K | 39.7 | Very low | 37.4 | Very low | 216 Ų | 216 | 148.4 Ų | 148.4 | 94% | 0.939 | 83% | 0.83 | S | S | * | * | trans | 77.2 | 131.1 | 138.2 | -75.9 | -176.6 | 174 | -178.9 | 0 | 121.9 | ||||
| 221 | C | 37.6 | Very low | 37.6 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 85% | 0.845 | 84% | 0.835 | S | S | * | * | trans | -81.2 | 163.7 | 164.3 | -169.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 222 | A | 39.7 | Very low | 37.9 | Very low | 88 Ų | 88 | 150.6 Ų | 150.6 | 73% | 0.727 | 84% | 0.842 | S | S | * | * | trans | 82.4 | 113 | 162.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 223 | C | 46 | Very low | 38 | Very low | 212 Ų | 212 | 149.4 Ų | 149.4 | 100% | 1.432 | 85% | 0.849 | S | S | * | * | -141.8 | 0 | 108 | -80 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 223 of 223 residues in 1593.8 ms
(Link to these results)