| 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 | K | 42 | Very low | 83.8 | Confident | 251 Ų | 251 | 80.8 Ų | 80.8 | 100% | 1.091 | 41% | 0.412 | S | S | * | . | 0 | 119.2 | 0 | -88.4 | 178.1 | 172.7 | 177.9 | 0 | 107 | T3 | K1-T3 PolarHBondContact O-N 3.17Å; K1-T3 VanDerWaalsContact O-N 3.17Å | |||
| 2 | M | 50.7 | Low | 85 | Confident | 198 Ų | 198 | 74.1 Ų | 74.1 | 98% | 0.975 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 116.9 | 168 | -73.7 | -170 | -71.9 | 0 | 0 | 107.1 | ||
| 3 | T | 67.1 | Low | 86.1 | Confident | 100 Ų | 100 | 68.4 Ų | 68.4 | 61% | 0.613 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 140.2 | 174.9 | 46.9 | 0 | 0 | 0 | 0 | 108.3 | K1 K5 N34 | K1-T3 PolarHBondContact O-N 3.17Å; K1-T3 VanDerWaalsContact O-N 3.17Å; T3-K5 PolarHBondContact O-N 3.08Å; T3-N34 PolarHBondContact O-ND2 3.24Å; T3-N34 PolarHBondContact OG1-ND2 3.36Å; T3-N34 VanDerWaalsContact OG1-ND2 3.08Å |
| 4 | S | 85.4 | Confident | 87 | Confident | 106 Ų | 106 | 63.5 Ų | 63.5 | 74% | 0.741 | 32% | 0.323 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 139 | 176.4 | 57.7 | 0 | 0 | 0 | 0 | 110 | K6 | S4-K6 PolarHBondContact O-N 3.41Š|
| 5 | K | 91 | Very high | 87.7 | Confident | 121 Ų | 121 | 60 Ų | 60 | 53% | 0.526 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 132.9 | 176 | -79.3 | 179.7 | 170.6 | -152.7 | 0 | 110.7 | T3 N34 I35 N36 | T3-K5 PolarHBondContact O-N 3.08Å; K5-N34 WeakPolarHBondContact CA-O 3.36Å; K5-N34 WeakPolarHBondContact CG-OD1 3.34Å; K5-I35 WeakPolarHBondContact CD-O 3.45Å; K5-N36 HydrophobicContact CB-CB 4.14Å |
| 6 | K | 94.9 | Very high | 88.4 | Confident | 56 Ų | 56 | 56.8 Ų | 56.8 | 24% | 0.243 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 133.1 | 173.1 | -68.6 | 179.1 | 177.8 | 89.8 | 0 | 109.7 | S4 N34 I35 N36 I213 | S4-K6 PolarHBondContact O-N 3.41Å; K6-N34 PolarHBondContact N-O 3.29Å; K6-I35 CarbonylContact O-C 3.58Å; K6-I35 WeakPolarHBondContact O-CA 3.11Å; K6-N36 PolarHBondContact O-N 3.5Å; K6-I213 HydrophobicContact CD-CB 3.65Å; K6-I213 HydrophobicContact CD-CG2 4.1Å; K6-I213 WeakPolarHBondContact CE-O 3.37Å; K6-I213 PolarHBondContact NZ-O 2.9Å |
| 7 | V | 96.4 | Very high | 88.9 | Confident | 50 Ų | 50 | 53.8 Ų | 53.8 | 30% | 0.303 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 128.4 | 176.7 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | E9 N36 K38 H192 | V7-E9 HydrophobicContact CG1-CG 4.03Å; V7-N36 WeakPolarHBondContact CA-O 3.35Å; V7-N36 HydrophobicContact CG2-CB 4.44Å; V7-K38 HydrophobicContact CG1-CG 4.19Å; V7-H192 HydrophobicContact CB-CB 4.24Å; V7-H192 PolarHBondContact O-N 3.03Å |
| 8 | V | 97.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 118.6 | 173 | 178.4 | 0 | 0 | 0 | 0 | 107.7 | I26 I35 N36 L37 K38 L189 I190 | V8-I26 HydrophobicContact CG1-CD1 4.31Å; V8-I26 HydrophobicContact CG1-CG1 4.35Å; V8-I35 HydrophobicContact CG2-CB 4.02Å; V8-I35 HydrophobicContact CG2-CD1 4.38Å; V8-I35 HydrophobicContact CG2-CG2 3.73Å; V8-N36 PolarHBondContact N-O 3.02Å; V8-L37 HydrophobicContact CG1-CD1 4.32Å; V8-L37 CarbonylContact O-C 3.57Å; V8-L37 WeakPolarHBondContact O-CA 3.42Å; V8-K38 PolarHBondContact O-N 3.13Å; V8-L189 HydrophobicContact CG1-CD2 4.16Å; V8-I190 CarbonylContact C-O 3.48Å; V8-I190 WeakPolarHBondContact CA-O 3.42Å |
| 9 | E | 98.3 | Very high | 89.9 | Confident | 7 Ų | 7 | 50.5 Ų | 50.5 | 3% | 0.033 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 130.9 | 178.3 | -49.8 | -173.5 | 85.5 | 0 | 0 | 109.5 | V7 F11 K38 R40 L189 I190 H192 | V7-E9 HydrophobicContact CG1-CG 4.03Å; E9-F11 HydrophobicContact CB-CE2 4.12Å; E9-K38 CarbonylContact C-O 3.58Å; E9-K38 WeakPolarHBondContact CA-O 3.26Å; E9-K38 HydrophobicContact CG-CB 4.32Å; E9-R40 HydrophobicContact CB-CG 4.11Å; E9-R40 IonicContact OE1-CZ 3.75Å; E9-R40 IonicContact OE1-NE 2.85Å; E9-R40 PolarHBondContact OE1-NE 2.94Å; E9-R40 IonicContact OE1-NH2 3.45Å; E9-R40 PolarHBondContact OE1-NH2 3.47Å; E9-L189 CarbonylContact O-C 3.48Å; E9-L189 WeakPolarHBondContact O-CA 3.26Å; E9-I190 HydrophobicContact CB-CB 4.27Å; E9-I190 PolarHBondContact N-O 3.33Å; E9-I190 PolarHBondContact O-N 2.9Å; E9-H192 IonicContact OE2-CD2 2.96Å; E9-H192 IonicContact OE2-CE1 3Å; E9-H192 IonicContact OE2-NE2 3.46Å; E9-H192 PolarHBondContact OE2-NE2 3.48Å |
| 10 | L | 98.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 112.4 | 173.5 | 171.8 | 65.7 | 0 | 0 | 0 | 109.4 | Y12 F23 I26 L37 K38 F39 R40 P187 L189 | L10-Y12 HydrophobicContact CD2-CD1 4.43Å; L10-Y12 HydrophobicContact CG-CD1 4.2Å; L10-F23 HydrophobicContact CD2-CB 3.86Å; L10-F23 HydrophobicContact CD2-CD2 3.84Å; L10-F23 HydrophobicContact CD2-CG 4.33Å; L10-I26 HydrophobicContact CD2-CG2 3.91Å; L10-L37 HydrophobicContact CB-CD1 4.47Å; L10-K38 PolarHBondContact N-O 3.27Å; L10-F39 HydrophobicContact CB-CD1 4.29Å; L10-F39 HydrophobicContact CD2-CD1 4.09Å; L10-F39 HydrophobicContact CD2-CE1 4.02Å; L10-R40 WeakPolarHBondContact O-CB 3.37Å; L10-R40 PolarHBondContact O-N 3.15Å; L10-P187 HydrophobicContact CD1-CB 3.87Å; L10-L189 HydrophobicContact CD1-CD1 4.12Å; L10-L189 HydrophobicContact CD1-CD2 4.38Å; L10-L189 HydrophobicContact CD1-CG 3.86Å |
| 11 | F | 98.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 128 | 167.8 | -65.9 | -97.1 | 0 | 0 | 0 | 110.3 | E9 R40 A42 S174 A178 Y181 F186 M188 I190 | E9-F11 HydrophobicContact CB-CE2 4.12Å; F11-R40 WeakPolarHBondContact CA-O 3.47Å; F11-R40 HydrophobicContact CB-CB 4.43Å; F11-R40 HydrophobicContact CD1-CB 3.38Å; F11-R40 HydrophobicContact CD1-CG 4.16Å; F11-R40 HydrophobicContact CD2-CB 4.11Å; F11-R40 HydrophobicContact CD2-CG 4.3Å; F11-R40 HydrophobicContact CE1-CB 3.52Å; F11-R40 HydrophobicContact CE1-CG 3.86Å; F11-R40 HydrophobicContact CE2-CB 4.21Å; F11-R40 HydrophobicContact CE2-CG 3.99Å; F11-R40 HydrophobicContact CG-CB 3.71Å; F11-R40 HydrophobicContact CG-CG 4.39Å; F11-R40 HydrophobicContact CZ-CB 3.94Å; F11-R40 HydrophobicContact CZ-CG 3.77Å; F11-A42 HydrophobicContact CD1-CB 4.24Å; F11-S174 WeakPolarHBondContact CE1-O 3.17Å; F11-A178 HydrophobicContact CD1-CB 3.59Å; F11-A178 HydrophobicContact CE1-CB 3.85Å; F11-A178 HydrophobicContact CG-CB 4.11Å; F11-Y181 HydrophobicContact CE2-CD2 4.11Å; F11-Y181 HydrophobicContact CE2-CE2 4.25Å; F11-Y181 HydrophobicContact CZ-CD2 4.08Å; F11-Y181 HydrophobicContact CZ-CE2 4.11Å; F11-F186 HydrophobicContact CB-CD1 4.03Å; F11-F186 HydrophobicContact CB-CE1 3.48Å; F11-F186 VanDerWaalsContact CB-CE1 3.48Å; F11-F186 HydrophobicContact CB-CZ 4.03Å; F11-F186 HydrophobicContact CG-CE1 4.49Å; F11-M188 HydrophobicContact CB-CB 4.39Å; F11-M188 HydrophobicContact CB-CE 4.18Å; F11-M188 HydrophobicContact CD2-CE 3.45Å; F11-M188 VanDerWaalsContact CD2-CE 3.45Å; F11-M188 HydrophobicContact CE2-CE 3.9Å; F11-M188 HydrophobicContact CG-CE 3.82Å; F11-M188 PolarHBondContact N-O 2.78Å; F11-M188 PolarHBondContact O-N 3.04Å; F11-M188 VanDerWaalsContact O-N 3.16Å; F11-I190 HydrophobicContact CD2-CG1 4.26Å; F11-I190 HydrophobicContact CE2-CG1 3.88Å |
| 12 | Y | 98.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 162.1 | -174.9 | 71.1 | -80.6 | 0 | 0 | 0 | 113.1 | L10 V14 F39 R40 P41 A42 M100 V103 V117 S121 W125 | L10-Y12 HydrophobicContact CD2-CD1 4.43Å; L10-Y12 HydrophobicContact CG-CD1 4.2Å; Y12-V14 HydrophobicContact CE2-CG1 4.39Å; Y12-F39 HydrophobicContact CE1-CB 3.97Å; Y12-F39 HydrophobicContact CE1-CD1 4.28Å; Y12-F39 HydrophobicContact CE1-CG 4.38Å; Y12-R40 PolarHBondContact N-O 2.88Å; Y12-P41 HydrophobicContact CE1-CG 4.32Å; Y12-A42 PolarHBondContact O-N 2.96Å; Y12-A42 VanDerWaalsContact O-O 3.05Å; Y12-M100 HydrophobicContact CD2-CE 4.44Å; Y12-M100 HydrophobicContact CE2-CE 4.31Å; Y12-M100 WeakPolarHBondContact O-CE 3.21Å; Y12-V103 WeakPolarHBondContact OH-CG1 3.29Å; Y12-V117 WeakPolarHBondContact OH-CG1 3.38Å; Y12-S121 PolarHBondContact OH-OG 2.96Å; Y12-W125 AromaticContact CD2-CH2 3.16Å; Y12-W125 HydrophobicContact CD2-CH2 3.16Å; Y12-W125 AromaticContact CD2-CZ2 3.41Å; Y12-W125 HydrophobicContact CD2-CZ2 3.41Å; Y12-W125 VanDerWaalsContact CD2-CZ2 3.41Å; Y12-W125 HydrophobicContact CD2-CZ3 4.17Å; Y12-W125 AromaticContact CE2-CH2 3.56Å; Y12-W125 HydrophobicContact CE2-CH2 3.56Å; Y12-W125 HydrophobicContact CE2-CZ2 4.13Å; Y12-W125 HydrophobicContact CE2-CZ3 4.14Å; Y12-W125 AromaticContact CG-CH2 3.79Å; Y12-W125 HydrophobicContact CG-CH2 3.79Å; Y12-W125 HydrophobicContact CG-CZ2 4.1Å |
| 13 | D | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -133.6 | 139.5 | 167.7 | -170 | -43.6 | 0 | 0 | 0 | 108.4 | V15 S16 A42 L44 T96 M100 F186 | D13-V15 HydrophobicContact CB-CG1 4.09Å; D13-V15 PolarHBondContact O-N 3.47Å; D13-V15 WeakPolarHBondContact OD1-CB 3.23Å; D13-V15 WeakPolarHBondContact OD1-CG1 3.43Å; D13-V15 PolarHBondContact OD1-N 2.62Å; D13-S16 PolarHBondContact O-N 3.26Å; D13-A42 WeakPolarHBondContact CB-O 3.34Å; D13-L44 HydrophobicContact CB-CB 3.73Å; D13-L44 WeakPolarHBondContact OD2-CB 3.35Å; D13-L44 PolarHBondContact OD2-N 2.83Å; D13-T96 WeakPolarHBondContact OD1-CB 3.45Å; D13-T96 PolarHBondContact OD1-OG1 2.87Å; D13-T96 PolarHBondContact OD2-OG1 3.01Å; D13-M100 HydrophobicContact CB-SD 4.32Å; D13-F186 HydrophobicContact CB-CD2 4.02Å | ||
| 14 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.4 | -179.9 | -60.1 | 0 | 0 | 0 | 0 | 113.2 | Y12 S16 T96 A99 M100 L124 W125 I128 W129 | Y12-V14 HydrophobicContact CE2-CG1 4.39Å; V14-S16 PolarHBondContact O-N 3.36Å; V14-T96 HydrophobicContact CG2-CG2 3.84Å; V14-A99 HydrophobicContact CG2-CB 3.99Å; V14-M100 HydrophobicContact CB-SD 4.31Å; V14-M100 HydrophobicContact CG1-SD 4.05Å; V14-M100 HydrophobicContact CG2-SD 3.86Å; V14-M100 PolarHBondContact N-SD 2.71Å; V14-M100 VanDerWaalsContact N-SD 3.39Å; V14-L124 HydrophobicContact CB-CB 4.33Å; V14-L124 HydrophobicContact CG1-CB 4.02Å; V14-L124 HydrophobicContact CG1-CD1 4.38Å; V14-L124 HydrophobicContact CG2-CB 4.45Å; V14-W125 VanDerWaalsContact CA-NE1 3.35Å; V14-W125 HydrophobicContact CB-CG 4.48Å; V14-W125 HydrophobicContact CG1-CD2 4.29Å; V14-W125 PolarHBondContact O-NE1 3.17Å; V14-I128 HydrophobicContact CB-CD1 4.2Å; V14-I128 HydrophobicContact CG2-CD1 4.03Å; V14-I128 WeakPolarHBondContact O-CD1 3.47Å; V14-W129 PolarHBondContact O-NE1 3.19Å |
| 15 | V | 97.9 | Very high | 97.9 | Very high | 11 Ų | 11 | 15.6 Ų | 15.6 | 7% | 0.067 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -17.1 | 171.3 | 82.8 | 0 | 0 | 0 | 0 | 113 | D13 P17 L44 M91 T96 W129 | D13-V15 HydrophobicContact CB-CG1 4.09Å; D13-V15 PolarHBondContact O-N 3.47Å; D13-V15 WeakPolarHBondContact OD1-CB 3.23Å; D13-V15 WeakPolarHBondContact OD1-CG1 3.43Å; D13-V15 PolarHBondContact OD1-N 2.62Å; V15-P17 WeakPolarHBondContact O-CD 3.33Å; V15-L44 HydrophobicContact CG1-CB 4.05Å; V15-L44 HydrophobicContact CG1-CD2 3.62Å; V15-L44 HydrophobicContact CG1-CG 4.44Å; V15-M91 HydrophobicContact CG2-CB 4.37Å; V15-M91 HydrophobicContact CG2-CG 4.09Å; V15-T96 HydrophobicContact CB-CG2 3.5Å; V15-T96 WeakPolarHBondContact CB-OG1 3.45Å; V15-T96 HydrophobicContact CG2-CG2 3.89Å; V15-W129 WeakPolarHBondContact O-CZ2 3.39Å |
| 16 | S | 98.1 | Very high | 98.2 | Very high | 9 Ų | 9 | 9.9 Ų | 9.9 | 6% | 0.063 | 5% | 0.049 | C | C | . | . | trans | -94.3 | 116.1 | -177.4 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | D13 V14 Y18 S19 W20 W125 F186 | D13-S16 PolarHBondContact O-N 3.26Å; V14-S16 PolarHBondContact O-N 3.36Å; S16-Y18 VanDerWaalsContact C-N 3.32Å; S16-Y18 PolarHBondContact O-N 2.56Å; S16-S19 VanDerWaalsContact CB-OG 3.26Å; S16-S19 WeakPolarHBondContact CB-OG 3.38Å; S16-S19 WeakPolarHBondContact O-CB 3.41Å; S16-S19 PolarHBondContact O-N 3.37Å; S16-S19 VanDerWaalsContact O-N 3.17Å; S16-S19 PolarHBondContact OG-N 2.94Å; S16-S19 VanDerWaalsContact OG-N 3.11Å; S16-S19 PolarHBondContact OG-OG 3.49Å; S16-W20 PolarHBondContact O-N 2.85Å; S16-W125 PolarHBondContact O-NE1 3.48Å; S16-W125 VanDerWaalsContact O-NE1 3.15Å; S16-F186 PolarHBondContact OG-O 3.27Å | ||
| 17 | P | 97.8 | Very high | 98.4 | Very high | 5 Ų | 5 | 8 Ų | 8 | 3% | 0.032 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -66.7 | -35.1 | 175 | 25.3 | -32.3 | 0 | 0 | 0 | 111.7 | V15 S19 W20 L21 L70 L81 W129 | V15-P17 WeakPolarHBondContact O-CD 3.33Å; P17-S19 VanDerWaalsContact C-N 3.26Å; P17-S19 PolarHBondContact O-N 3.31Å; P17-W20 WeakPolarHBondContact O-CB 3.33Å; P17-W20 PolarHBondContact O-N 3.28Å; P17-L21 WeakPolarHBondContact O-CG 3.37Å; P17-L21 PolarHBondContact O-N 2.83Å; P17-L70 HydrophobicContact CB-CD1 3.97Å; P17-L70 HydrophobicContact CB-CD2 3.83Å; P17-L70 HydrophobicContact CG-CD1 3.71Å; P17-L70 HydrophobicContact CG-CD2 4.06Å; P17-L81 HydrophobicContact CB-CD1 3.91Å; P17-W129 HydrophobicContact CB-CD2 3.98Å; P17-W129 HydrophobicContact CB-CE3 3.97Å; P17-W129 HydrophobicContact CB-CH2 4.48Å; P17-W129 HydrophobicContact CB-CZ2 4.5Å; P17-W129 HydrophobicContact CB-CZ3 4.21Å; P17-W129 HydrophobicContact CG-CE3 4.42Å; P17-W129 HydrophobicContact CG-CH2 4.12Å; P17-W129 HydrophobicContact CG-CZ2 4.33Å; P17-W129 HydrophobicContact CG-CZ3 4.15Å |
| 18 | Y | 98.6 | Very high | 98.4 | Very high | 46 Ų | 46 | 8.1 Ų | 8.1 | 18% | 0.18 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.7 | -29.8 | 173.8 | -66.4 | -80.9 | 0 | 0 | 0 | 111.9 | S16 W20 L21 G22 M66 D69 L70 L73 S203 | S16-Y18 VanDerWaalsContact C-N 3.32Å; S16-Y18 PolarHBondContact O-N 2.56Å; Y18-W20 VanDerWaalsContact C-N 3.34Å; Y18-L21 HydrophobicContact CD1-CD1 4.19Å; Y18-L21 PolarHBondContact O-N 2.97Å; Y18-G22 PolarHBondContact O-N 3.41Å; Y18-M66 HydrophobicContact CE2-CE 3.88Å; Y18-M66 HydrophobicContact CE2-CG 4.43Å; Y18-D69 PolarHBondContact OH-OD2 3.34Å; Y18-L70 HydrophobicContact CD1-CD2 4.14Å; Y18-L70 HydrophobicContact CD2-CD2 4.24Å; Y18-L70 HydrophobicContact CE1-CD2 3.84Å; Y18-L70 HydrophobicContact CE2-CD2 3.91Å; Y18-L70 HydrophobicContact CE2-CG 4.33Å; Y18-L70 HydrophobicContact CG-CD2 4.34Å; Y18-L73 HydrophobicContact CD1-CD1 4.08Å; Y18-L73 HydrophobicContact CE1-CD1 3.6Å; Y18-S203 WeakPolarHBondContact O-CB 3.3Å |
| 19 | S | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.6 | -38.1 | 174.1 | -69.5 | 0 | 0 | 0 | 0 | 112 | S16 P17 L21 G22 F23 F186 P187 | S16-S19 VanDerWaalsContact CB-OG 3.26Å; S16-S19 WeakPolarHBondContact CB-OG 3.38Å; S16-S19 WeakPolarHBondContact O-CB 3.41Å; S16-S19 PolarHBondContact O-N 3.37Å; S16-S19 VanDerWaalsContact O-N 3.17Å; S16-S19 PolarHBondContact OG-N 2.94Å; S16-S19 VanDerWaalsContact OG-N 3.11Å; S16-S19 PolarHBondContact OG-OG 3.49Å; P17-S19 VanDerWaalsContact C-N 3.26Å; P17-S19 PolarHBondContact O-N 3.31Å; S19-L21 VanDerWaalsContact C-N 3.35Å; S19-G22 PolarHBondContact O-N 3.29Å; S19-F23 WeakPolarHBondContact O-CB 3.31Å; S19-F23 PolarHBondContact O-N 3.08Å; S19-F186 WeakPolarHBondContact OG-CB 3.48Å; S19-P187 WeakPolarHBondContact OG-CA 3.4Å; S19-P187 VanDerWaalsContact OG-N 3.14Å |
| 20 | W | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 0% | 0.004 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -61.4 | -45.6 | 173.7 | -169.5 | 14.9 | 0 | 0 | 0 | 111.7 | S16 P17 Y18 G22 F23 E24 V79 P80 L81 W125 R126 W129 | S16-W20 PolarHBondContact O-N 2.85Å; P17-W20 WeakPolarHBondContact O-CB 3.33Å; P17-W20 PolarHBondContact O-N 3.28Å; Y18-W20 VanDerWaalsContact C-N 3.34Å; W20-G22 PolarHBondContact O-N 2.98Å; W20-F23 WeakPolarHBondContact O-CB 3.36Å; W20-F23 PolarHBondContact O-N 3.1Å; W20-E24 PolarHBondContact NE1-OE1 3.34Å; W20-E24 WeakPolarHBondContact O-CG 3.21Å; W20-E24 PolarHBondContact O-N 3.49Å; W20-V79 HydrophobicContact CD2-CG1 3.74Å; W20-V79 HydrophobicContact CE3-CG1 4.04Å; W20-V79 HydrophobicContact CG-CG1 4.32Å; W20-V79 HydrophobicContact CH2-CG1 4.03Å; W20-V79 HydrophobicContact CZ2-CG1 3.72Å; W20-V79 HydrophobicContact CZ3-CG1 4.18Å; W20-P80 HydrophobicContact CH2-CG 4.04Å; W20-P80 WeakPolarHBondContact CH2-O 3.5Å; W20-P80 HydrophobicContact CZ2-CG 4.15Å; W20-L81 HydrophobicContact CE3-CB 4.1Å; W20-L81 HydrophobicContact CE3-CD1 4.07Å; W20-L81 HydrophobicContact CE3-CG 4.01Å; W20-L81 HydrophobicContact CZ3-CB 3.8Å; W20-L81 HydrophobicContact CZ3-CG 4.01Å; W20-W125 HydrophobicContact CB-CB 4.25Å; W20-W125 HydrophobicContact CB-CD2 3.67Å; W20-W125 HydrophobicContact CB-CE3 4.37Å; W20-W125 HydrophobicContact CB-CG 3.61Å; W20-W125 HydrophobicContact CB-CZ2 4.45Å; W20-W125 AromaticContact CD1-CD2 3.74Å; W20-W125 AromaticContact CD1-CE3 3.67Å; W20-W125 AromaticContact CD1-CG 3.89Å; W20-W125 HydrophobicContact CD2-CB 3.6Å; W20-W125 AromaticContact CD2-CG 3.99Å; W20-W125 HydrophobicContact CD2-CG 3.99Å; W20-W125 HydrophobicContact CE3-CB 4.04Å; W20-W125 HydrophobicContact CG-CB 3.67Å; W20-W125 AromaticContact CG-CD1 3.99Å; W20-W125 AromaticContact CG-CD2 3.74Å; W20-W125 HydrophobicContact CG-CD2 3.74Å; W20-W125 HydrophobicContact CG-CE3 4.15Å; W20-W125 AromaticContact CG-CG 3.54Å; W20-W125 HydrophobicContact CG-CG 3.54Å; W20-R126 HydrophobicContact CH2-CG 4.14Å; W20-R126 HydrophobicContact CZ2-CG 3.85Å; W20-W129 HydrophobicContact CE3-CB 3.76Å; W20-W129 HydrophobicContact CE3-CG 4.47Å; W20-W129 HydrophobicContact CZ3-CB 3.63Å |
| 21 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.1 | -48.7 | 177.6 | -67.6 | 178.2 | 0 | 0 | 0 | 111.8 | P17 Y18 S19 I25 L70 L73 F77 V79 L81 | P17-L21 WeakPolarHBondContact O-CG 3.37Å; P17-L21 PolarHBondContact O-N 2.83Å; Y18-L21 HydrophobicContact CD1-CD1 4.19Å; Y18-L21 PolarHBondContact O-N 2.97Å; S19-L21 VanDerWaalsContact C-N 3.35Å; L21-I25 WeakPolarHBondContact O-CG1 3.24Å; L21-I25 PolarHBondContact O-N 3.12Å; L21-L70 HydrophobicContact CD1-CD2 3.98Å; L21-L73 HydrophobicContact CD1-CB 3.62Å; L21-L73 HydrophobicContact CD1-CD1 3.78Å; L21-L73 HydrophobicContact CD1-CG 4.33Å; L21-F77 HydrophobicContact CB-CD2 3.76Å; L21-F77 HydrophobicContact CB-CE2 3.94Å; L21-F77 HydrophobicContact CD1-CD2 4.47Å; L21-F77 HydrophobicContact CD2-CB 4.47Å; L21-F77 HydrophobicContact CD2-CD2 3.89Å; L21-F77 HydrophobicContact CG-CD2 4.24Å; L21-V79 HydrophobicContact CD2-CB 3.96Å; L21-V79 HydrophobicContact CD2-CG1 4.25Å; L21-V79 HydrophobicContact CD2-CG2 4.07Å; L21-L81 HydrophobicContact CD1-CD1 4.49Å; L21-L81 HydrophobicContact CD2-CD1 4.06Å; L21-L81 HydrophobicContact CG-CD1 4.13Å |
| 22 | G | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.9 | -39.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y18 S19 W20 I25 I26 F206 | Y18-G22 PolarHBondContact O-N 3.41Å; S19-G22 PolarHBondContact O-N 3.29Å; W20-G22 PolarHBondContact O-N 2.98Å; G22-I25 PolarHBondContact O-N 3.44Å; G22-I26 PolarHBondContact O-N 3.34Å; G22-F206 VanDerWaalsContact O-CZ 3.26Å; G22-F206 WeakPolarHBondContact O-CZ 3.29Å |
| 23 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -57.9 | -50 | 176.1 | 171.5 | -90.8 | 0 | 0 | 0 | 112.1 | L10 S19 W20 I25 I26 C27 F39 E118 R122 W125 | L10-F23 HydrophobicContact CD2-CB 3.86Å; L10-F23 HydrophobicContact CD2-CD2 3.84Å; L10-F23 HydrophobicContact CD2-CG 4.33Å; S19-F23 WeakPolarHBondContact O-CB 3.31Å; S19-F23 PolarHBondContact O-N 3.08Å; W20-F23 WeakPolarHBondContact O-CB 3.36Å; W20-F23 PolarHBondContact O-N 3.1Å; F23-I25 VanDerWaalsContact C-N 3.31Å; F23-I25 PolarHBondContact O-N 3.24Å; F23-I26 WeakPolarHBondContact O-CG2 3.46Å; F23-I26 PolarHBondContact O-N 3.41Å; F23-C27 WeakPolarHBondContact O-CB 3.36Å; F23-C27 PolarHBondContact O-N 3.49Å; F23-C27 PolarHBondContact O-SG 3.17Å; F23-F39 HydrophobicContact CD2-CD1 4.09Å; F23-F39 AromaticContact CD2-CE1 3.54Å; F23-F39 HydrophobicContact CD2-CE1 3.54Å; F23-F39 HydrophobicContact CD2-CZ 4.04Å; F23-F39 AromaticContact CE2-CD1 3.97Å; F23-F39 HydrophobicContact CE2-CD1 3.97Å; F23-F39 AromaticContact CE2-CE1 3.42Å; F23-F39 HydrophobicContact CE2-CE1 3.42Å; F23-F39 VanDerWaalsContact CE2-CE1 3.42Å; F23-F39 HydrophobicContact CE2-CE2 4.05Å; F23-F39 AromaticContact CE2-CZ 3.49Å; F23-F39 HydrophobicContact CE2-CZ 3.49Å; F23-F39 VanDerWaalsContact CE2-CZ 3.49Å; F23-F39 HydrophobicContact CZ-CZ 4.23Å; F23-E118 HydrophobicContact CE1-CG 4.19Å; F23-E118 HydrophobicContact CE2-CG 4Å; F23-E118 HydrophobicContact CZ-CB 4.25Å; F23-E118 HydrophobicContact CZ-CG 3.35Å; F23-E118 WeakPolarHBondContact CZ-O 3.49Å; F23-R122 HydrophobicContact CE1-CB 4.19Å; F23-W125 HydrophobicContact CB-CH2 3.65Å; F23-W125 HydrophobicContact CB-CZ2 4.49Å; F23-W125 HydrophobicContact CB-CZ3 3.78Å; F23-W125 HydrophobicContact CD1-CE3 4.12Å; F23-W125 HydrophobicContact CD1-CH2 4.28Å; F23-W125 AromaticContact CD1-CZ3 3.53Å; F23-W125 HydrophobicContact CD1-CZ3 3.53Å; F23-W125 AromaticContact CD2-CH2 3.73Å; F23-W125 HydrophobicContact CD2-CH2 3.73Å; F23-W125 AromaticContact CD2-CZ3 3.53Å; F23-W125 HydrophobicContact CD2-CZ3 3.53Å; F23-W125 HydrophobicContact CE1-CE3 4.35Å; F23-W125 AromaticContact CE1-CZ3 3.85Å; F23-W125 HydrophobicContact CE1-CZ3 3.85Å; F23-W125 HydrophobicContact CE2-CH2 4.4Å; F23-W125 AromaticContact CE2-CZ3 3.85Å; F23-W125 HydrophobicContact CE2-CZ3 3.85Å; F23-W125 HydrophobicContact CG-CE3 4.31Å; F23-W125 AromaticContact CG-CH2 3.65Å; F23-W125 HydrophobicContact CG-CH2 3.65Å; F23-W125 AromaticContact CG-CZ3 3.33Å; F23-W125 HydrophobicContact CG-CZ3 3.33Å; F23-W125 AromaticContact CZ-CZ3 3.98Å; F23-W125 HydrophobicContact CZ-CZ3 3.98Å |
| 24 | E | 98.6 | Very high | 97.4 | Very high | 21 Ų | 21 | 22.8 Ų | 22.8 | 10% | 0.098 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.2 | -36.9 | -178.9 | -65.9 | -62.8 | 177 | 0 | 0 | 112.1 | W20 R28 V79 R122 | W20-E24 PolarHBondContact NE1-OE1 3.34Å; W20-E24 WeakPolarHBondContact O-CG 3.21Å; W20-E24 PolarHBondContact O-N 3.49Å; E24-R28 WeakPolarHBondContact O-CD 3.37Å; E24-R28 VanDerWaalsContact O-CG 3.24Å; E24-R28 WeakPolarHBondContact O-CG 3.43Å; E24-R28 PolarHBondContact O-N 2.83Å; E24-R28 VanDerWaalsContact O-N 3.13Å; E24-V79 HydrophobicContact CB-CG2 3.91Å; E24-V79 HydrophobicContact CG-CG1 4.32Å; E24-V79 HydrophobicContact CG-CG2 3.91Å; E24-R122 WeakPolarHBondContact OE1-CD 3.37Å; E24-R122 WeakPolarHBondContact OE1-CG 3.45Å; E24-R122 IonicContact OE1-CZ 3.29Å; E24-R122 IonicContact OE1-NE 2.77Å; E24-R122 PolarHBondContact OE1-NE 3.06Å; E24-R122 IonicContact OE1-NH2 3.21Å; E24-R122 IonicContact OE2-CZ 2.92Å; E24-R122 IonicContact OE2-NE 3.5Å; E24-R122 PolarHBondContact OE2-NE 2.91Å; E24-R122 IonicContact OE2-NH2 3.88Å; E24-R122 PolarHBondContact OE2-NH2 3.43Å |
| 25 | I | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.7 | -54.2 | 176 | -67.3 | 170.4 | 0 | 0 | 0 | 110.2 | L21 G22 F23 C27 R28 Y29 F77 F206 W217 P220 | L21-I25 WeakPolarHBondContact O-CG1 3.24Å; L21-I25 PolarHBondContact O-N 3.12Å; G22-I25 PolarHBondContact O-N 3.44Å; F23-I25 VanDerWaalsContact C-N 3.31Å; F23-I25 PolarHBondContact O-N 3.24Å; I25-C27 PolarHBondContact O-N 3.47Å; I25-R28 WeakPolarHBondContact O-CB 3.47Å; I25-R28 PolarHBondContact O-N 3.27Å; I25-R28 VanDerWaalsContact O-N 3.07Å; I25-Y29 HydrophobicContact CG2-CD2 3.95Å; I25-Y29 HydrophobicContact CG2-CE2 4.15Å; I25-Y29 WeakPolarHBondContact O-CD2 3.39Å; I25-Y29 PolarHBondContact O-N 3.08Å; I25-Y29 VanDerWaalsContact O-N 3.16Å; I25-F77 HydrophobicContact CD1-CD1 3.95Å; I25-F77 HydrophobicContact CD1-CD2 3.44Å; I25-F77 VanDerWaalsContact CD1-CD2 3.44Å; I25-F77 HydrophobicContact CD1-CE1 3.7Å; I25-F77 HydrophobicContact CD1-CE2 3.21Å; I25-F77 HydrophobicContact CD1-CG 3.83Å; I25-F77 HydrophobicContact CD1-CZ 3.35Å; I25-F77 HydrophobicContact CG1-CD2 4.15Å; I25-F77 HydrophobicContact CG1-CE2 4.36Å; I25-F77 HydrophobicContact CG1-CG 4.36Å; I25-F206 HydrophobicContact CB-CD2 4.11Å; I25-F206 HydrophobicContact CB-CE1 4.2Å; I25-F206 HydrophobicContact CB-CE2 3.74Å; I25-F206 HydrophobicContact CB-CG 4.49Å; I25-F206 HydrophobicContact CB-CZ 3.81Å; I25-F206 HydrophobicContact CD1-CD2 3.7Å; I25-F206 HydrophobicContact CD1-CE2 3.59Å; I25-F206 HydrophobicContact CD1-CZ 4.49Å; I25-F206 HydrophobicContact CG1-CE2 4.26Å; I25-F206 HydrophobicContact CG2-CB 4.36Å; I25-F206 HydrophobicContact CG2-CD1 3.67Å; I25-F206 HydrophobicContact CG2-CD2 3.65Å; I25-F206 HydrophobicContact CG2-CE1 3.83Å; I25-F206 HydrophobicContact CG2-CE2 3.77Å; I25-F206 HydrophobicContact CG2-CG 3.6Å; I25-F206 HydrophobicContact CG2-CZ 3.88Å; I25-W217 HydrophobicContact CG2-CH2 3.76Å; I25-W217 HydrophobicContact CG2-CZ3 3.93Å; I25-P220 HydrophobicContact CD1-CB 4.25Å; I25-P220 HydrophobicContact CG1-CB 4.34Å |
| 26 | I | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.7 | -30.5 | -175.7 | -161.9 | 56.8 | 0 | 0 | 0 | 112.2 | V8 L10 G22 F23 Y29 R30 W33 I35 L37 L189 F206 M209 | V8-I26 HydrophobicContact CG1-CD1 4.31Å; V8-I26 HydrophobicContact CG1-CG1 4.35Å; L10-I26 HydrophobicContact CD2-CG2 3.91Å; G22-I26 PolarHBondContact O-N 3.34Å; F23-I26 WeakPolarHBondContact O-CG2 3.46Å; F23-I26 PolarHBondContact O-N 3.41Å; I26-Y29 PolarHBondContact O-N 2.92Å; I26-R30 PolarHBondContact O-N 2.95Å; I26-R30 VanDerWaalsContact O-N 3.1Å; I26-W33 HydrophobicContact CD1-CE3 4.19Å; I26-W33 HydrophobicContact CD1-CZ3 3.92Å; I26-I35 HydrophobicContact CD1-CD1 3.74Å; I26-I35 HydrophobicContact CG1-CD1 4.33Å; I26-L37 HydrophobicContact CB-CD1 4.46Å; I26-L37 HydrophobicContact CB-CD2 4.49Å; I26-L37 HydrophobicContact CG1-CD1 3.6Å; I26-L37 HydrophobicContact CG1-CD2 4.1Å; I26-L37 HydrophobicContact CG1-CG 4.44Å; I26-L37 HydrophobicContact CG2-CD1 4Å; I26-L37 HydrophobicContact CG2-CD2 3.92Å; I26-L189 HydrophobicContact CB-CD2 4.39Å; I26-L189 HydrophobicContact CD1-CD2 4.47Å; I26-L189 HydrophobicContact CG1-CD2 4.19Å; I26-F206 HydrophobicContact CB-CE1 3.98Å; I26-F206 HydrophobicContact CD1-CE1 4.29Å; I26-M209 HydrophobicContact CD1-CE 3.7Å |
| 27 | C | 97.9 | Very high | 97.2 | Very high | 16 Ų | 16 | 25 Ų | 25 | 11% | 0.108 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.2 | -46.2 | 171.4 | -70 | 0 | 0 | 0 | 0 | 111.9 | F23 I25 Y29 R30 | F23-C27 WeakPolarHBondContact O-CB 3.36Å; F23-C27 PolarHBondContact O-N 3.49Å; F23-C27 PolarHBondContact O-SG 3.17Å; I25-C27 PolarHBondContact O-N 3.47Å; C27-Y29 PolarHBondContact O-N 3.43Å; C27-R30 VanDerWaalsContact O-CB 3.23Å; C27-R30 WeakPolarHBondContact O-CB 3.44Å; C27-R30 PolarHBondContact O-N 2.78Å |
| 28 | R | 97.7 | Very high | 97.1 | Very high | 54 Ų | 54 | 28 Ų | 28 | 20% | 0.204 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -31.6 | 177.2 | -67.2 | 160 | -170.1 | 173.2 | 0.9 | 112.3 | E24 I25 F77 S78 P220 P222 | E24-R28 WeakPolarHBondContact O-CD 3.37Å; E24-R28 VanDerWaalsContact O-CG 3.24Å; E24-R28 WeakPolarHBondContact O-CG 3.43Å; E24-R28 PolarHBondContact O-N 2.83Å; E24-R28 VanDerWaalsContact O-N 3.13Å; I25-R28 WeakPolarHBondContact O-CB 3.47Å; I25-R28 PolarHBondContact O-N 3.27Å; I25-R28 VanDerWaalsContact O-N 3.07Å; R28-F77 VanDerWaalsContact CZ-O 3.23Å; R28-F77 PolarHBondContact NH1-O 2.94Å; R28-F77 PolarHBondContact NH2-O 3.09Å; R28-S78 PolarHBondContact NH2-O 2.88Å; R28-P220 WeakPolarHBondContact CD-O 3.12Å; R28-P220 PolarHBondContact NH1-O 3.45Å; R28-P222 HydrophobicContact CB-CG 4.12Å |
| 29 | Y | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -85.5 | -8.4 | 179.6 | -83.2 | -87.1 | 0 | 0 | 0 | 114.7 | I25 I26 C27 N31 V32 W33 W217 L218 G219 P222 | I25-Y29 HydrophobicContact CG2-CD2 3.95Å; I25-Y29 HydrophobicContact CG2-CE2 4.15Å; I25-Y29 WeakPolarHBondContact O-CD2 3.39Å; I25-Y29 PolarHBondContact O-N 3.08Å; I25-Y29 VanDerWaalsContact O-N 3.16Å; I26-Y29 PolarHBondContact O-N 2.92Å; C27-Y29 PolarHBondContact O-N 3.43Å; Y29-N31 PolarHBondContact O-N 2.85Å; Y29-N31 VanDerWaalsContact O-N 3.08Å; Y29-V32 HydrophobicContact CD1-CB 3.89Å; Y29-V32 HydrophobicContact CD1-CG1 3.89Å; Y29-V32 HydrophobicContact CE1-CB 4.47Å; Y29-V32 HydrophobicContact CE1-CG1 4.02Å; Y29-V32 PolarHBondContact O-N 2.7Å; Y29-W33 AromaticContact CD1-CD1 3.68Å; Y29-W33 AromaticContact CD1-CD2 3.47Å; Y29-W33 HydrophobicContact CD1-CD2 3.47Å; Y29-W33 VanDerWaalsContact CD1-CD2 3.47Å; Y29-W33 AromaticContact CD1-CE2 3.16Å; Y29-W33 HydrophobicContact CD1-CE3 4.07Å; Y29-W33 AromaticContact CD1-CG 3.82Å; Y29-W33 HydrophobicContact CD1-CG 3.82Å; Y29-W33 HydrophobicContact CD1-CH2 4.16Å; Y29-W33 AromaticContact CD1-CZ2 3.58Å; Y29-W33 HydrophobicContact CD1-CZ2 3.58Å; Y29-W33 HydrophobicContact CD1-CZ3 4.34Å; Y29-W33 AromaticContact CD1-NE1 3.28Å; Y29-W33 VanDerWaalsContact CD1-NE1 3.28Å; Y29-W33 HydrophobicContact CE1-CD2 4.26Å; Y29-W33 AromaticContact CE1-CE2 3.48Å; Y29-W33 VanDerWaalsContact CE1-CE2 3.48Å; Y29-W33 HydrophobicContact CE1-CH2 4.45Å; Y29-W33 AromaticContact CE1-CZ2 3.62Å; Y29-W33 HydrophobicContact CE1-CZ2 3.62Å; Y29-W33 AromaticContact CE1-NE1 3.4Å; Y29-W33 HydrophobicContact CG-CD2 4.01Å; Y29-W33 AromaticContact CG-CE2 3.98Å; Y29-W33 HydrophobicContact CG-CE3 4.14Å; Y29-W33 HydrophobicContact CG-CH2 4.28Å; Y29-W33 HydrophobicContact CG-CZ2 4.15Å; Y29-W33 HydrophobicContact CG-CZ3 4.24Å; Y29-W33 PolarHBondContact O-N 3.16Å; Y29-W217 AromaticContact CD2-CZ3 3.93Å; Y29-W217 HydrophobicContact CD2-CZ3 3.93Å; Y29-W217 HydrophobicContact CE1-CE3 4.06Å; Y29-W217 HydrophobicContact CE1-CZ3 4.23Å; Y29-W217 AromaticContact CE2-CE3 3.77Å; Y29-W217 HydrophobicContact CE2-CE3 3.77Å; Y29-W217 AromaticContact CE2-CH2 3.88Å; Y29-W217 HydrophobicContact CE2-CH2 3.88Å; Y29-W217 AromaticContact CE2-CZ3 3.13Å; Y29-W217 HydrophobicContact CE2-CZ3 3.13Å; Y29-W217 AromaticContact CZ-CE3 3.38Å; Y29-W217 AromaticContact CZ-CZ3 3.29Å; Y29-W217 VanDerWaalsContact OH-CZ3 3.29Å; Y29-W217 WeakPolarHBondContact OH-CZ3 3.4Å; Y29-L218 WeakPolarHBondContact OH-CA 3.35Å; Y29-L218 PolarHBondContact OH-N 3.16Å; Y29-G219 WeakPolarHBondContact CE2-O 3.46Å; Y29-G219 PolarHBondContact OH-N 3.1Å; Y29-G219 PolarHBondContact OH-O 2.98Å; Y29-P222 HydrophobicContact CD2-CG 4.21Å; Y29-P222 HydrophobicContact CE1-CB 4.16Å; Y29-P222 HydrophobicContact CE1-CG 4.37Å; Y29-P222 HydrophobicContact CE2-CB 4.32Å; Y29-P222 HydrophobicContact CE2-CG 3.9Å |
| 30 | R | 93.4 | Very high | 97.1 | Very high | 57 Ų | 57 | 29.9 Ų | 29.9 | 22% | 0.215 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -35.4 | 179.7 | -176.4 | -168.4 | -70.3 | -111.9 | 5.6 | 113.3 | I26 C27 E118 | I26-R30 PolarHBondContact O-N 2.95Å; I26-R30 VanDerWaalsContact O-N 3.1Å; C27-R30 VanDerWaalsContact O-CB 3.23Å; C27-R30 WeakPolarHBondContact O-CB 3.44Å; C27-R30 PolarHBondContact O-N 2.78Å; R30-E118 IonicContact CZ-OE2 3.48Å; R30-E118 IonicContact NE-OE2 3.66Å; R30-E118 IonicContact NH2-OE2 2.73Å; R30-E118 PolarHBondContact NH2-OE2 3.36Å |
| 31 | N | 91.5 | Very high | 97.1 | Very high | 150 Ų | 150 | 29.9 Ų | 29.9 | 80% | 0.802 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.2 | 0.4 | -178.9 | -61 | -34.5 | 0 | 0 | 0 | 113.4 | Y29 | Y29-N31 PolarHBondContact O-N 2.85Å; Y29-N31 VanDerWaalsContact O-N 3.08Å |
| 32 | V | 96.2 | Very high | 97.1 | Very high | 55 Ų | 55 | 29.9 Ų | 29.9 | 33% | 0.333 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101 | -44 | -179.9 | 178.6 | 0 | 0 | 0 | 0 | 110.4 | Y29 L218 P222 | Y29-V32 HydrophobicContact CD1-CB 3.89Å; Y29-V32 HydrophobicContact CD1-CG1 3.89Å; Y29-V32 HydrophobicContact CE1-CB 4.47Å; Y29-V32 HydrophobicContact CE1-CG1 4.02Å; Y29-V32 PolarHBondContact O-N 2.7Å; V32-L218 HydrophobicContact CG1-CD1 4.12Å; V32-P222 HydrophobicContact CG1-CB 4.39Å; V32-P222 HydrophobicContact CG2-CB 4.01Å; V32-P222 HydrophobicContact CG2-CG 3.94Å |
| 33 | W | 96.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -93.6 | 153.2 | 175.5 | -65.5 | -18.6 | 0 | 0 | 0 | 111.2 | I26 Y29 I35 F206 M209 A210 I213 E215 K216 W217 | I26-W33 HydrophobicContact CD1-CE3 4.19Å; I26-W33 HydrophobicContact CD1-CZ3 3.92Å; Y29-W33 AromaticContact CD1-CD1 3.68Å; Y29-W33 AromaticContact CD1-CD2 3.47Å; Y29-W33 HydrophobicContact CD1-CD2 3.47Å; Y29-W33 VanDerWaalsContact CD1-CD2 3.47Å; Y29-W33 AromaticContact CD1-CE2 3.16Å; Y29-W33 HydrophobicContact CD1-CE3 4.07Å; Y29-W33 AromaticContact CD1-CG 3.82Å; Y29-W33 HydrophobicContact CD1-CG 3.82Å; Y29-W33 HydrophobicContact CD1-CH2 4.16Å; Y29-W33 AromaticContact CD1-CZ2 3.58Å; Y29-W33 HydrophobicContact CD1-CZ2 3.58Å; Y29-W33 HydrophobicContact CD1-CZ3 4.34Å; Y29-W33 AromaticContact CD1-NE1 3.28Å; Y29-W33 VanDerWaalsContact CD1-NE1 3.28Å; Y29-W33 HydrophobicContact CE1-CD2 4.26Å; Y29-W33 AromaticContact CE1-CE2 3.48Å; Y29-W33 VanDerWaalsContact CE1-CE2 3.48Å; Y29-W33 HydrophobicContact CE1-CH2 4.45Å; Y29-W33 AromaticContact CE1-CZ2 3.62Å; Y29-W33 HydrophobicContact CE1-CZ2 3.62Å; Y29-W33 AromaticContact CE1-NE1 3.4Å; Y29-W33 HydrophobicContact CG-CD2 4.01Å; Y29-W33 AromaticContact CG-CE2 3.98Å; Y29-W33 HydrophobicContact CG-CE3 4.14Å; Y29-W33 HydrophobicContact CG-CH2 4.28Å; Y29-W33 HydrophobicContact CG-CZ2 4.15Å; Y29-W33 HydrophobicContact CG-CZ3 4.24Å; Y29-W33 PolarHBondContact O-N 3.16Å; W33-I35 HydrophobicContact CB-CD1 4.5Å; W33-I35 HydrophobicContact CB-CG1 4.14Å; W33-I35 HydrophobicContact CB-CG2 3.88Å; W33-I35 HydrophobicContact CE3-CD1 4.34Å; W33-I35 PolarHBondContact O-N 3.07Å; W33-F206 HydrophobicContact CH2-CB 4.48Å; W33-F206 HydrophobicContact CH2-CD1 4.49Å; W33-M209 HydrophobicContact CE3-CE 4.39Å; W33-M209 HydrophobicContact CH2-CE 4.03Å; W33-M209 HydrophobicContact CZ3-CE 3.39Å; W33-A210 HydrophobicContact CH2-CB 3.92Å; W33-A210 HydrophobicContact CZ2-CB 3.42Å; W33-A210 VanDerWaalsContact CZ2-CB 3.42Å; W33-I213 HydrophobicContact CD2-CD1 4.16Å; W33-I213 HydrophobicContact CE3-CD1 3.83Å; W33-I213 HydrophobicContact CZ3-CD1 4.3Å; W33-E215 HydrophobicContact CB-CB 4.47Å; W33-E215 HydrophobicContact CB-CG 3.93Å; W33-E215 HydrophobicContact CD2-CB 4.13Å; W33-E215 HydrophobicContact CD2-CG 4.41Å; W33-E215 HydrophobicContact CG-CB 3.82Å; W33-E215 HydrophobicContact CG-CG 3.82Å; W33-K216 PolarHBondContact NE1-O 2.88Å; W33-W217 HydrophobicContact CH2-CE3 4.11Å; W33-W217 HydrophobicContact CH2-CZ3 4.32Å; W33-W217 AromaticContact CZ2-CE3 3.83Å; W33-W217 HydrophobicContact CZ2-CE3 3.83Å; W33-W217 HydrophobicContact CZ2-CZ3 4.39Å |
| 34 | N | 95.8 | Very high | 97.1 | Very high | 45 Ų | 45 | 33.5 Ų | 33.5 | 24% | 0.241 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -78 | 63.1 | 174.7 | -168.6 | 30.7 | 0 | 0 | 0 | 111.2 | T3 K5 K6 E215 | T3-N34 PolarHBondContact O-ND2 3.24Å; T3-N34 PolarHBondContact OG1-ND2 3.36Å; T3-N34 VanDerWaalsContact OG1-ND2 3.08Å; K5-N34 WeakPolarHBondContact CA-O 3.36Å; K5-N34 WeakPolarHBondContact CG-OD1 3.34Å; K6-N34 PolarHBondContact N-O 3.29Å; N34-E215 WeakPolarHBondContact CB-OE1 3.49Å; N34-E215 PolarHBondContact N-OE1 3.39Å |
| 35 | I | 96.4 | Very high | 97 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 154.3 | -175.8 | 63.5 | 168.4 | 0 | 0 | 0 | 113.1 | K5 K6 V8 I26 W33 L37 I213 | K5-I35 WeakPolarHBondContact CD-O 3.45Å; K6-I35 CarbonylContact O-C 3.58Å; K6-I35 WeakPolarHBondContact O-CA 3.11Å; V8-I35 HydrophobicContact CG2-CB 4.02Å; V8-I35 HydrophobicContact CG2-CD1 4.38Å; V8-I35 HydrophobicContact CG2-CG2 3.73Å; I26-I35 HydrophobicContact CD1-CD1 3.74Å; I26-I35 HydrophobicContact CG1-CD1 4.33Å; W33-I35 HydrophobicContact CB-CD1 4.5Å; W33-I35 HydrophobicContact CB-CG1 4.14Å; W33-I35 HydrophobicContact CB-CG2 3.88Å; W33-I35 HydrophobicContact CE3-CD1 4.34Å; W33-I35 PolarHBondContact O-N 3.07Å; I35-L37 HydrophobicContact CD1-CB 4.48Å; I35-I213 HydrophobicContact CG2-CD1 3.87Å |
| 36 | N | 95.3 | Very high | 96.9 | Very high | 61 Ų | 61 | 35 Ų | 35 | 33% | 0.326 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 96.3 | 164.4 | -178.7 | 15.7 | 0 | 0 | 0 | 107.6 | K5 K6 V7 V8 K38 | K5-N36 HydrophobicContact CB-CB 4.14Å; K6-N36 PolarHBondContact O-N 3.5Å; V7-N36 WeakPolarHBondContact CA-O 3.35Å; V7-N36 HydrophobicContact CG2-CB 4.44Å; V8-N36 PolarHBondContact N-O 3.02Å; N36-K38 WeakPolarHBondContact ND2-CE 3.35Å; N36-K38 WeakPolarHBondContact OD1-CE 3.38Å |
| 37 | L | 96.9 | Very high | 96.9 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 130.2 | 180 | 179.8 | 59 | 0 | 0 | 0 | 110.3 | V8 L10 I26 I35 F39 | V8-L37 HydrophobicContact CG1-CD1 4.32Å; V8-L37 CarbonylContact O-C 3.57Å; V8-L37 WeakPolarHBondContact O-CA 3.42Å; L10-L37 HydrophobicContact CB-CD1 4.47Å; I26-L37 HydrophobicContact CB-CD1 4.46Å; I26-L37 HydrophobicContact CB-CD2 4.49Å; I26-L37 HydrophobicContact CG1-CD1 3.6Å; I26-L37 HydrophobicContact CG1-CD2 4.1Å; I26-L37 HydrophobicContact CG1-CG 4.44Å; I26-L37 HydrophobicContact CG2-CD1 4Å; I26-L37 HydrophobicContact CG2-CD2 3.92Å; I35-L37 HydrophobicContact CD1-CB 4.48Å; L37-F39 HydrophobicContact CD1-CE1 4.41Å; L37-F39 HydrophobicContact CD2-CE1 3.81Å; L37-F39 HydrophobicContact CD2-CZ 3.68Å; L37-F39 HydrophobicContact CG-CE1 4.1Å; L37-F39 HydrophobicContact CG-CZ 4.21Å |
| 38 | K | 97.2 | Very high | 96.8 | Very high | 70 Ų | 70 | 35.6 Ų | 35.6 | 30% | 0.304 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 126.4 | 176.3 | -63.7 | -62.3 | 179.7 | -172.5 | 0 | 110.3 | V7 V8 E9 L10 N36 | V7-K38 HydrophobicContact CG1-CG 4.19Å; V8-K38 PolarHBondContact O-N 3.13Å; E9-K38 CarbonylContact C-O 3.58Å; E9-K38 WeakPolarHBondContact CA-O 3.26Å; E9-K38 HydrophobicContact CG-CB 4.32Å; L10-K38 PolarHBondContact N-O 3.27Å; N36-K38 WeakPolarHBondContact ND2-CE 3.35Å; N36-K38 WeakPolarHBondContact OD1-CE 3.38Å |
| 39 | F | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 134.6 | 174.5 | -68.3 | -48 | 0 | 0 | 0 | 110.6 | L10 Y12 F23 L37 Q107 D114 V117 E118 | L10-F39 HydrophobicContact CB-CD1 4.29Å; L10-F39 HydrophobicContact CD2-CD1 4.09Å; L10-F39 HydrophobicContact CD2-CE1 4.02Å; Y12-F39 HydrophobicContact CE1-CB 3.97Å; Y12-F39 HydrophobicContact CE1-CD1 4.28Å; Y12-F39 HydrophobicContact CE1-CG 4.38Å; F23-F39 HydrophobicContact CD2-CD1 4.09Å; F23-F39 AromaticContact CD2-CE1 3.54Å; F23-F39 HydrophobicContact CD2-CE1 3.54Å; F23-F39 HydrophobicContact CD2-CZ 4.04Å; F23-F39 AromaticContact CE2-CD1 3.97Å; F23-F39 HydrophobicContact CE2-CD1 3.97Å; F23-F39 AromaticContact CE2-CE1 3.42Å; F23-F39 HydrophobicContact CE2-CE1 3.42Å; F23-F39 VanDerWaalsContact CE2-CE1 3.42Å; F23-F39 HydrophobicContact CE2-CE2 4.05Å; F23-F39 AromaticContact CE2-CZ 3.49Å; F23-F39 HydrophobicContact CE2-CZ 3.49Å; F23-F39 VanDerWaalsContact CE2-CZ 3.49Å; F23-F39 HydrophobicContact CZ-CZ 4.23Å; L37-F39 HydrophobicContact CD1-CE1 4.41Å; L37-F39 HydrophobicContact CD2-CE1 3.81Å; L37-F39 HydrophobicContact CD2-CZ 3.68Å; L37-F39 HydrophobicContact CG-CE1 4.1Å; L37-F39 HydrophobicContact CG-CZ 4.21Å; F39-Q107 PolarHBondContact O-NE2 2.99Å; F39-D114 HydrophobicContact CB-CB 4.48Å; F39-D114 HydrophobicContact CD2-CB 3.56Å; F39-D114 HydrophobicContact CE2-CB 4.23Å; F39-D114 HydrophobicContact CG-CB 4.46Å; F39-D114 PolarHBondContact N-OD2 3.32Å; F39-V117 HydrophobicContact CB-CG1 3.99Å; F39-V117 HydrophobicContact CD2-CG1 4.26Å; F39-V117 HydrophobicContact CG-CG1 4.48Å; F39-E118 HydrophobicContact CD2-CB 4.39Å; F39-E118 HydrophobicContact CE2-CB 3.66Å; F39-E118 HydrophobicContact CE2-CG 3.66Å; F39-E118 HydrophobicContact CZ-CB 4.38Å; F39-E118 HydrophobicContact CZ-CG 3.88Å |
| 40 | R | 98.6 | Very high | 96.8 | Very high | 83 Ų | 83 | 43.5 Ų | 43.5 | 31% | 0.313 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 82.1 | 178.4 | -62.2 | -64.2 | -167 | 156.5 | 5 | 109.4 | E9 L10 F11 Y12 A42 E177 | E9-R40 HydrophobicContact CB-CG 4.11Å; E9-R40 IonicContact OE1-CZ 3.75Å; E9-R40 IonicContact OE1-NE 2.85Å; E9-R40 PolarHBondContact OE1-NE 2.94Å; E9-R40 IonicContact OE1-NH2 3.45Å; E9-R40 PolarHBondContact OE1-NH2 3.47Å; L10-R40 WeakPolarHBondContact O-CB 3.37Å; L10-R40 PolarHBondContact O-N 3.15Å; F11-R40 WeakPolarHBondContact CA-O 3.47Å; F11-R40 HydrophobicContact CB-CB 4.43Å; F11-R40 HydrophobicContact CD1-CB 3.38Å; F11-R40 HydrophobicContact CD1-CG 4.16Å; F11-R40 HydrophobicContact CD2-CB 4.11Å; F11-R40 HydrophobicContact CD2-CG 4.3Å; F11-R40 HydrophobicContact CE1-CB 3.52Å; F11-R40 HydrophobicContact CE1-CG 3.86Å; F11-R40 HydrophobicContact CE2-CB 4.21Å; F11-R40 HydrophobicContact CE2-CG 3.99Å; F11-R40 HydrophobicContact CG-CB 3.71Å; F11-R40 HydrophobicContact CG-CG 4.39Å; F11-R40 HydrophobicContact CZ-CB 3.94Å; F11-R40 HydrophobicContact CZ-CG 3.77Å; Y12-R40 PolarHBondContact N-O 2.88Å; R40-A42 PolarHBondContact O-N 3.29Å; R40-E177 IonicContact NH1-OE2 2.68Å |
| 41 | P | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 125.2 | 172.9 | -20 | 31.4 | 0 | 0 | 0 | 109.4 | Y12 M100 V103 V117 S174 | Y12-P41 HydrophobicContact CE1-CG 4.32Å; P41-M100 HydrophobicContact CB-CE 3.66Å; P41-V103 HydrophobicContact CB-CB 4.46Å; P41-V103 HydrophobicContact CB-CG1 3.92Å; P41-V103 HydrophobicContact CG-CG1 3.64Å; P41-V117 HydrophobicContact CG-CG1 4.39Å; P41-S174 VanDerWaalsContact O-CB 3.31Å; P41-S174 WeakPolarHBondContact O-CB 3.45Å; P41-S174 PolarHBondContact O-OG 2.73Å |
| 42 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -144.4 | 161.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | F11 Y12 D13 R40 M100 F186 | F11-A42 HydrophobicContact CD1-CB 4.24Å; Y12-A42 PolarHBondContact O-N 2.96Å; Y12-A42 VanDerWaalsContact O-O 3.05Å; D13-A42 WeakPolarHBondContact CB-O 3.34Å; R40-A42 PolarHBondContact O-N 3.29Å; A42-M100 WeakPolarHBondContact O-CE 3.35Å; A42-F186 HydrophobicContact CB-CE2 3.62Å; A42-F186 HydrophobicContact CB-CZ 3.42Å; A42-F186 VanDerWaalsContact CB-CZ 3.42Å | ||
| 43 | F | 98.6 | Very high | 97 | Very high | 55 Ų | 55 | 39.7 Ų | 39.7 | 24% | 0.241 | 24% | 0.241 | C | C | . | . | trans | -100 | 110.6 | -173.9 | -178.6 | -126.5 | 0 | 0 | 0 | 111.8 | G45 G46 I47 L97 L171 T175 | F43-G45 VanDerWaalsContact C-N 3.27Å; F43-G45 PolarHBondContact O-N 3.41Å; F43-G46 PolarHBondContact O-N 2.7Å; F43-I47 PolarHBondContact O-N 2.87Å; F43-L97 HydrophobicContact CD1-CD1 4.15Å; F43-L97 HydrophobicContact CD2-CB 4.39Å; F43-L97 HydrophobicContact CD2-CD1 4.08Å; F43-L97 HydrophobicContact CE1-CD1 4.29Å; F43-L97 HydrophobicContact CE2-CB 3.87Å; F43-L97 HydrophobicContact CE2-CD1 4.22Å; F43-L97 HydrophobicContact CG-CD1 4.05Å; F43-L97 HydrophobicContact CZ-CB 4.14Å; F43-L97 HydrophobicContact CZ-CD1 4.32Å; F43-L171 HydrophobicContact CB-CD2 4.43Å; F43-L171 HydrophobicContact CB-CG 4.47Å; F43-T175 HydrophobicContact CB-CG2 4.46Å; F43-T175 PolarHBondContact N-OG1 3Å; F43-T175 WeakPolarHBondContact O-CG2 3.39Å | ||
| 44 | L | 98 | Very high | 96.7 | Very high | 22 Ų | 22 | 47.1 Ų | 47.1 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.1 | -35.8 | -175.7 | -177.7 | 60.2 | 0 | 0 | 0 | 112.5 | D13 V15 G46 I47 M48 F186 | D13-L44 HydrophobicContact CB-CB 3.73Å; D13-L44 WeakPolarHBondContact OD2-CB 3.35Å; D13-L44 PolarHBondContact OD2-N 2.83Å; V15-L44 HydrophobicContact CG1-CB 4.05Å; V15-L44 HydrophobicContact CG1-CD2 3.62Å; V15-L44 HydrophobicContact CG1-CG 4.44Å; L44-G46 VanDerWaalsContact C-N 3.25Å; L44-G46 PolarHBondContact O-N 2.9Å; L44-I47 HydrophobicContact CD1-CB 4.48Å; L44-I47 PolarHBondContact O-N 3.15Å; L44-I47 VanDerWaalsContact O-N 3.17Å; L44-M48 HydrophobicContact CD1-CE 3.91Å; L44-M48 HydrophobicContact CD1-CG 4.37Å; L44-M48 HydrophobicContact CD2-CE 4.49Å; L44-M48 HydrophobicContact CG-CE 4.28Å; L44-M48 HydrophobicContact CG-CG 4.37Å; L44-M48 WeakPolarHBondContact O-CG 3.28Å; L44-M48 PolarHBondContact O-N 3.12Å; L44-F186 HydrophobicContact CB-CD2 3.98Å; L44-F186 HydrophobicContact CB-CE2 4.45Å; L44-F186 HydrophobicContact CD1-CB 4.02Å; L44-F186 HydrophobicContact CD1-CD2 3.76Å; L44-F186 HydrophobicContact CD1-CG 4.03Å; L44-F186 HydrophobicContact CG-CD2 4.45Å |
| 45 | G | 96.4 | Very high | 96.4 | Very high | 35 Ų | 35 | 46.5 Ų | 46.5 | 36% | 0.361 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.5 | -39.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F43 Q49 | F43-G45 VanDerWaalsContact C-N 3.27Å; F43-G45 PolarHBondContact O-N 3.41Å; G45-Q49 PolarHBondContact O-N 2.86Å; G45-Q49 VanDerWaalsContact O-N 3.16Å |
| 46 | G | 97.3 | Very high | 96 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.3 | -37.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F43 L44 G50 | F43-G46 PolarHBondContact O-N 2.7Å; L44-G46 VanDerWaalsContact C-N 3.25Å; L44-G46 PolarHBondContact O-N 2.9Å; G46-G50 PolarHBondContact O-N 2.8Å |
| 47 | I | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 174.6 | -58.1 | -57 | 0 | 0 | 0 | 111.6 | F43 L44 Q49 G50 A51 T175 A178 L179 A183 F186 | F43-I47 PolarHBondContact O-N 2.87Å; L44-I47 HydrophobicContact CD1-CB 4.48Å; L44-I47 PolarHBondContact O-N 3.15Å; L44-I47 VanDerWaalsContact O-N 3.17Å; I47-Q49 VanDerWaalsContact C-N 3.3Å; I47-Q49 PolarHBondContact O-N 3.24Å; I47-G50 PolarHBondContact O-N 2.83Å; I47-A51 VanDerWaalsContact O-CB 3.29Å; I47-A51 WeakPolarHBondContact O-CB 3.38Å; I47-A51 PolarHBondContact O-N 3.48Å; I47-T175 HydrophobicContact CD1-CG2 3.59Å; I47-T175 WeakPolarHBondContact CD1-O 3.44Å; I47-T175 HydrophobicContact CG1-CG2 4.09Å; I47-A178 HydrophobicContact CD1-CB 3.74Å; I47-L179 HydrophobicContact CD1-CD2 4.18Å; I47-L179 HydrophobicContact CD1-CG 3.89Å; I47-L179 HydrophobicContact CG2-CD2 4.46Å; I47-A183 HydrophobicContact CD1-CB 4.17Å; I47-A183 HydrophobicContact CG2-CB 3.96Å; I47-F186 HydrophobicContact CD1-CE1 4.3Å; I47-F186 HydrophobicContact CD1-CE2 4.46Å; I47-F186 HydrophobicContact CD1-CZ 3.76Å; I47-F186 HydrophobicContact CG1-CD2 4.43Å; I47-F186 HydrophobicContact CG1-CE1 3.96Å; I47-F186 HydrophobicContact CG1-CE2 3.61Å; I47-F186 HydrophobicContact CG1-CZ 3.33Å |
| 48 | M | 95.9 | Very high | 95.2 | Very high | 28 Ų | 28 | 50.8 Ų | 50.8 | 14% | 0.138 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.9 | -44.7 | -179.9 | -70 | -73.3 | 176.4 | 0 | 0 | 111 | L44 G52 N53 | L44-M48 HydrophobicContact CD1-CE 3.91Å; L44-M48 HydrophobicContact CD1-CG 4.37Å; L44-M48 HydrophobicContact CD2-CE 4.49Å; L44-M48 HydrophobicContact CG-CE 4.28Å; L44-M48 HydrophobicContact CG-CG 4.37Å; L44-M48 WeakPolarHBondContact O-CG 3.28Å; L44-M48 PolarHBondContact O-N 3.12Å; M48-G52 PolarHBondContact O-N 3.19Å; M48-N53 PolarHBondContact O-N 2.95Å; M48-N53 HydrophobicContact SD-CB 3.97Å |
| 49 | Q | 96.5 | Very high | 95 | Very high | 168 Ų | 168 | 50.8 Ų | 50.8 | 79% | 0.785 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.7 | -50.8 | 175.9 | -174.6 | 180 | 15 | 0 | 0 | 112 | G45 I47 A51 G52 | G45-Q49 PolarHBondContact O-N 2.86Å; G45-Q49 VanDerWaalsContact O-N 3.16Å; I47-Q49 VanDerWaalsContact C-N 3.3Å; I47-Q49 PolarHBondContact O-N 3.24Å; Q49-A51 VanDerWaalsContact C-N 3.34Å; Q49-A51 PolarHBondContact O-N 2.87Å; Q49-G52 PolarHBondContact O-N 3.45Å |
| 50 | G | 97.2 | Very high | 94.7 | Very high | 51 Ų | 51 | 55.4 Ų | 55.4 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.5 | -34.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G46 I47 | G46-G50 PolarHBondContact O-N 2.8Å; I47-G50 PolarHBondContact O-N 2.83Å |
| 51 | A | 97.1 | Very high | 94.6 | Very high | 48 Ų | 48 | 58.1 Ų | 58.1 | 40% | 0.397 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -3.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | I47 Q49 N53 L179 F184 | I47-A51 VanDerWaalsContact O-CB 3.29Å; I47-A51 WeakPolarHBondContact O-CB 3.38Å; I47-A51 PolarHBondContact O-N 3.48Å; Q49-A51 VanDerWaalsContact C-N 3.34Å; Q49-A51 PolarHBondContact O-N 2.87Å; A51-N53 HydrophobicContact CB-CB 4.41Å; A51-N53 PolarHBondContact O-N 2.72Å; A51-L179 HydrophobicContact CB-CD2 4.35Å; A51-F184 HydrophobicContact CB-CB 4.11Å |
| 52 | G | 95.3 | Very high | 94.4 | Very high | 67 Ų | 67 | 63.7 Ų | 63.7 | 69% | 0.691 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 22.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | M48 Q49 | M48-G52 PolarHBondContact O-N 3.19Å; Q49-G52 PolarHBondContact O-N 3.45Å |
| 53 | N | 94.3 | Very high | 94.1 | Very high | 67 Ų | 67 | 66.9 Ų | 66.9 | 36% | 0.358 | 39% | 0.394 | S | S | . | . | trans | -86.6 | 154.9 | -178.4 | -164.8 | 16 | 0 | 0 | 0 | 111.2 | M48 A51 F184 | M48-N53 PolarHBondContact O-N 2.95Å; M48-N53 HydrophobicContact SD-CB 3.97Å; A51-N53 HydrophobicContact CB-CB 4.41Å; A51-N53 PolarHBondContact O-N 2.72Å; N53-F184 PolarHBondContact ND2-O 3.03Å | ||
| 54 | K | 90 | Very high | 93.8 | Very high | 164 Ų | 164 | 66.8 Ų | 66.8 | 71% | 0.713 | 40% | 0.403 | S | S | * | . | trans | -113.3 | 139 | 174.2 | -68 | -176.1 | -178.3 | 179.4 | 0 | 110.3 | ||||
| 55 | P | 89.1 | Confident | 93.7 | Very high | 32 Ų | 32 | 71.9 Ų | 71.9 | 21% | 0.208 | 42% | 0.422 | C | S | . | . | trans | -56.5 | 133.4 | 177.9 | -24.5 | 32 | 0 | 0 | 0 | 112.1 | G57 L58 F92 | P55-G57 PolarHBondContact O-N 3.32Å; P55-L58 HydrophobicContact CB-CG 4.28Å; P55-L58 HydrophobicContact CG-CD1 4.34Å; P55-L58 PolarHBondContact O-N 3.37Å; P55-L58 VanDerWaalsContact O-N 3.14Å; P55-F92 HydrophobicContact CB-CE1 3.35Å; P55-F92 HydrophobicContact CB-CZ 3.6Å; P55-F92 HydrophobicContact CG-CD1 4.34Å; P55-F92 HydrophobicContact CG-CE1 3.48Å; P55-F92 VanDerWaalsContact CG-CE1 3.48Å; P55-F92 HydrophobicContact CG-CZ 4.25Å | ||
| 56 | P | 88.7 | Confident | 93.7 | Very high | 52 Ų | 52 | 71.3 Ų | 71.3 | 34% | 0.338 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -63 | -27.7 | -178.1 | 25 | -34.1 | 0 | 0 | 0 | 112.5 | L58 V59 K62 M66 | P56-L58 PolarHBondContact O-N 2.88Å; P56-L58 VanDerWaalsContact O-N 3.17Å; P56-V59 PolarHBondContact O-N 2.79Å; P56-V59 VanDerWaalsContact O-N 3.08Å; P56-K62 HydrophobicContact CB-CD 4.12Å; P56-K62 WeakPolarHBondContact O-CB 3.48Å; P56-M66 HydrophobicContact CB-SD 3.99Å; P56-M66 HydrophobicContact CG-CE 4.17Å; P56-M66 HydrophobicContact CG-SD 3.85Å |
| 57 | G | 86 | Confident | 93.4 | Very high | 10 Ų | 10 | 73.9 Ų | 73.9 | 10% | 0.103 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -63.1 | -15.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P55 V59 | P55-G57 PolarHBondContact O-N 3.32Å; G57-V59 PolarHBondContact O-N 2.98Å |
| 58 | L | 89.1 | Confident | 93.3 | Very high | 94 Ų | 94 | 80.5 Ų | 80.5 | 49% | 0.492 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -75.4 | -12.3 | 174.2 | -61 | -179 | 0 | 0 | 0 | 113.1 | P55 P56 F88 | P55-L58 HydrophobicContact CB-CG 4.28Å; P55-L58 HydrophobicContact CG-CD1 4.34Å; P55-L58 PolarHBondContact O-N 3.37Å; P55-L58 VanDerWaalsContact O-N 3.14Å; P56-L58 PolarHBondContact O-N 2.88Å; P56-L58 VanDerWaalsContact O-N 3.17Å; L58-F88 HydrophobicContact CD2-CE2 4.07Å |
| 59 | V | 93.4 | Very high | 93.4 | Very high | 69 Ų | 69 | 80.5 Ų | 80.5 | 42% | 0.418 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -99.8 | 113 | 175 | -179.5 | 0 | 0 | 0 | 0 | 108.5 | P56 G57 N61 K62 F63 | P56-V59 PolarHBondContact O-N 2.79Å; P56-V59 VanDerWaalsContact O-N 3.08Å; G57-V59 PolarHBondContact O-N 2.98Å; V59-N61 VanDerWaalsContact C-N 3.3Å; V59-N61 PolarHBondContact O-N 3.03Å; V59-N61 VanDerWaalsContact O-N 3.13Å; V59-K62 HydrophobicContact CB-CB 4.07Å; V59-K62 HydrophobicContact CB-CD 4.04Å; V59-K62 HydrophobicContact CB-CG 3.99Å; V59-K62 HydrophobicContact CG1-CB 4.4Å; V59-K62 HydrophobicContact CG1-CD 4.37Å; V59-K62 HydrophobicContact CG1-CG 4Å; V59-K62 HydrophobicContact CG2-CD 4.32Å; V59-K62 WeakPolarHBondContact O-CA 3.34Å; V59-K62 WeakPolarHBondContact O-CB 3.48Å; V59-K62 PolarHBondContact O-N 3.38Å; V59-F63 PolarHBondContact O-N 3.39Å |
| 60 | P | 91.8 | Very high | 93.4 | Very high | 99 Ų | 99 | 73 Ų | 73 | 64% | 0.643 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -52.5 | -42.2 | -172 | -30.5 | 35.6 | 0 | 0 | 0 | 114.6 | K62 F63 A64 | P60-K62 PolarHBondContact O-N 3.33Å; P60-F63 PolarHBondContact O-N 2.83Å; P60-A64 WeakPolarHBondContact O-CB 3.49Å; P60-A64 PolarHBondContact O-N 2.82Å |
| 61 | N | 96.3 | Very high | 93.3 | Very high | 140 Ų | 140 | 76.2 Ų | 76.2 | 75% | 0.749 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66.1 | -36.5 | 178.5 | -68.3 | -11.2 | 0 | 0 | 0 | 112.8 | V59 Y65 | V59-N61 VanDerWaalsContact C-N 3.3Å; V59-N61 PolarHBondContact O-N 3.03Å; V59-N61 VanDerWaalsContact O-N 3.13Å; N61-Y65 PolarHBondContact O-N 3.36Å; N61-Y65 VanDerWaalsContact O-N 3.12Å |
| 62 | K | 95.3 | Very high | 93.4 | Very high | 118 Ų | 118 | 80.9 Ų | 80.9 | 51% | 0.513 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -71 | -41.5 | 175.7 | -67.5 | -173 | 178.7 | -177 | 0 | 110.6 | P56 V59 P60 Y65 M66 | P56-K62 HydrophobicContact CB-CD 4.12Å; P56-K62 WeakPolarHBondContact O-CB 3.48Å; V59-K62 HydrophobicContact CB-CB 4.07Å; V59-K62 HydrophobicContact CB-CD 4.04Å; V59-K62 HydrophobicContact CB-CG 3.99Å; V59-K62 HydrophobicContact CG1-CB 4.4Å; V59-K62 HydrophobicContact CG1-CD 4.37Å; V59-K62 HydrophobicContact CG1-CG 4Å; V59-K62 HydrophobicContact CG2-CD 4.32Å; V59-K62 WeakPolarHBondContact O-CA 3.34Å; V59-K62 WeakPolarHBondContact O-CB 3.48Å; V59-K62 PolarHBondContact O-N 3.38Å; P60-K62 PolarHBondContact O-N 3.33Å; K62-Y65 WeakPolarHBondContact O-CB 3.43Å; K62-Y65 PolarHBondContact O-N 2.72Å; K62-M66 VanDerWaalsContact O-CG 3.25Å; K62-M66 WeakPolarHBondContact O-CG 3.42Å; K62-M66 PolarHBondContact O-N 2.85Å |
| 63 | F | 91.6 | Very high | 93.5 | Very high | 66 Ų | 66 | 79 Ų | 79 | 29% | 0.289 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.1 | -49.3 | 175.5 | -175 | -101.3 | 0 | 0 | 0 | 111.7 | V59 P60 Y65 M66 T67 M91 | V59-F63 PolarHBondContact O-N 3.39Å; P60-F63 PolarHBondContact O-N 2.83Å; F63-Y65 VanDerWaalsContact C-N 3.27Å; F63-Y65 PolarHBondContact O-N 2.66Å; F63-M66 PolarHBondContact O-N 2.96Å; F63-M66 VanDerWaalsContact O-N 3.13Å; F63-T67 PolarHBondContact O-N 3.27Å; F63-T67 VanDerWaalsContact O-N 3.08Å; F63-T67 PolarHBondContact O-OG1 2.88Å; F63-M91 HydrophobicContact CE2-CE 4.48Å |
| 64 | A | 92.4 | Very high | 93.7 | Very high | 53 Ų | 53 | 76.1 Ų | 76.1 | 44% | 0.438 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.6 | -35.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | P60 | P60-A64 WeakPolarHBondContact O-CB 3.49Å; P60-A64 PolarHBondContact O-N 2.82Å |
| 65 | Y | 96.4 | Very high | 94 | Very high | 129 Ų | 129 | 73.3 Ų | 73.3 | 51% | 0.506 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.6 | -50.1 | 172.3 | 179.1 | -90.5 | 0 | 0 | 0 | 111.5 | N61 K62 F63 T67 K68 D69 | N61-Y65 PolarHBondContact O-N 3.36Å; N61-Y65 VanDerWaalsContact O-N 3.12Å; K62-Y65 WeakPolarHBondContact O-CB 3.43Å; K62-Y65 PolarHBondContact O-N 2.72Å; F63-Y65 VanDerWaalsContact C-N 3.27Å; F63-Y65 PolarHBondContact O-N 2.66Å; Y65-T67 VanDerWaalsContact C-N 3.26Å; Y65-T67 PolarHBondContact O-N 3.01Å; Y65-K68 PolarHBondContact O-N 3.1Å; Y65-D69 HydrophobicContact CD1-CB 4.04Å; Y65-D69 HydrophobicContact CE1-CB 3.61Å; Y65-D69 WeakPolarHBondContact O-CB 3.43Å; Y65-D69 PolarHBondContact O-N 3.12Å; Y65-D69 PolarHBondContact OH-OD1 3.2Å |
| 66 | M | 95.2 | Very high | 94.4 | Very high | 23 Ų | 23 | 78.5 Ų | 78.5 | 11% | 0.113 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -55.1 | -40.4 | -178.9 | -73.3 | 169.4 | 69.6 | 0 | 0 | 112 | Y18 P56 K62 F63 K68 D69 L70 | Y18-M66 HydrophobicContact CE2-CE 3.88Å; Y18-M66 HydrophobicContact CE2-CG 4.43Å; P56-M66 HydrophobicContact CB-SD 3.99Å; P56-M66 HydrophobicContact CG-CE 4.17Å; P56-M66 HydrophobicContact CG-SD 3.85Å; K62-M66 VanDerWaalsContact O-CG 3.25Å; K62-M66 WeakPolarHBondContact O-CG 3.42Å; K62-M66 PolarHBondContact O-N 2.85Å; F63-M66 PolarHBondContact O-N 2.96Å; F63-M66 VanDerWaalsContact O-N 3.13Å; M66-K68 VanDerWaalsContact C-N 3.33Å; M66-K68 PolarHBondContact O-N 3.29Å; M66-D69 PolarHBondContact O-N 3.44Å; M66-L70 WeakPolarHBondContact O-CB 3.42Å; M66-L70 VanDerWaalsContact O-CG 3.29Å; M66-L70 WeakPolarHBondContact O-CG 3.33Å; M66-L70 PolarHBondContact O-N 2.96Å |
| 67 | T | 91.7 | Very high | 94.8 | Very high | 74 Ų | 74 | 76.5 Ų | 76.5 | 45% | 0.454 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 176.6 | -54.4 | 0 | 0 | 0 | 0 | 112.1 | F63 Y65 H71 | F63-T67 PolarHBondContact O-N 3.27Å; F63-T67 VanDerWaalsContact O-N 3.08Å; F63-T67 PolarHBondContact O-OG1 2.88Å; Y65-T67 VanDerWaalsContact C-N 3.26Å; Y65-T67 PolarHBondContact O-N 3.01Å; T67-H71 PolarHBondContact O-N 2.97Å |
| 68 | K | 95.7 | Very high | 95.3 | Very high | 138 Ų | 138 | 78.3 Ų | 78.3 | 60% | 0.6 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -70.6 | -39.9 | 177.4 | -64.5 | 177.6 | -177.1 | 177.8 | 0 | 111.7 | Y65 M66 H71 R72 | Y65-K68 PolarHBondContact O-N 3.1Å; M66-K68 VanDerWaalsContact C-N 3.33Å; M66-K68 PolarHBondContact O-N 3.29Å; K68-H71 PolarHBondContact O-N 2.82Å; K68-R72 WeakPolarHBondContact O-CG 3.45Å; K68-R72 PolarHBondContact O-N 3.25Å; K68-R72 VanDerWaalsContact O-N 3.17Å |
| 69 | D | 97.6 | Very high | 95.7 | Very high | 28 Ų | 28 | 74.1 Ų | 74.1 | 15% | 0.15 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.7 | -48.2 | -176.7 | -164.5 | 49.4 | 0 | 0 | 0 | 111.6 | Y18 Y65 M66 H71 R72 L73 | Y18-D69 PolarHBondContact OH-OD2 3.34Å; Y65-D69 HydrophobicContact CD1-CB 4.04Å; Y65-D69 HydrophobicContact CE1-CB 3.61Å; Y65-D69 WeakPolarHBondContact O-CB 3.43Å; Y65-D69 PolarHBondContact O-N 3.12Å; Y65-D69 PolarHBondContact OH-OD1 3.2Å; M66-D69 PolarHBondContact O-N 3.44Å; D69-H71 PolarHBondContact O-N 3.03Å; D69-R72 WeakPolarHBondContact O-CB 3.23Å; D69-R72 PolarHBondContact O-N 3.35Å; D69-L73 WeakPolarHBondContact O-CB 3.43Å; D69-L73 WeakPolarHBondContact O-CG 3.49Å; D69-L73 PolarHBondContact O-N 2.97Å; D69-L73 WeakPolarHBondContact OD2-CD1 3.44Å |
| 70 | L | 97.1 | Very high | 95.9 | Very high | 10 Ų | 10 | 73.1 Ų | 73.1 | 5% | 0.052 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.3 | -37.4 | 176.3 | -72.2 | 173.8 | 0 | 0 | 0 | 112.1 | P17 Y18 L21 M66 L73 A74 L81 | P17-L70 HydrophobicContact CB-CD1 3.97Å; P17-L70 HydrophobicContact CB-CD2 3.83Å; P17-L70 HydrophobicContact CG-CD1 3.71Å; P17-L70 HydrophobicContact CG-CD2 4.06Å; Y18-L70 HydrophobicContact CD1-CD2 4.14Å; Y18-L70 HydrophobicContact CD2-CD2 4.24Å; Y18-L70 HydrophobicContact CE1-CD2 3.84Å; Y18-L70 HydrophobicContact CE2-CD2 3.91Å; Y18-L70 HydrophobicContact CE2-CG 4.33Å; Y18-L70 HydrophobicContact CG-CD2 4.34Å; L21-L70 HydrophobicContact CD1-CD2 3.98Å; M66-L70 WeakPolarHBondContact O-CB 3.42Å; M66-L70 VanDerWaalsContact O-CG 3.29Å; M66-L70 WeakPolarHBondContact O-CG 3.33Å; M66-L70 PolarHBondContact O-N 2.96Å; L70-L73 PolarHBondContact O-N 2.9Å; L70-A74 VanDerWaalsContact O-CB 3.24Å; L70-A74 WeakPolarHBondContact O-CB 3.38Å; L70-A74 PolarHBondContact O-N 3.16Å; L70-L81 HydrophobicContact CB-CD2 4.32Å; L70-L81 HydrophobicContact CD2-CD1 4.3Å |
| 71 | H | 96.4 | Very high | 96.2 | Very high | 119 Ų | 119 | 68.6 Ų | 68.6 | 55% | 0.551 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.8 | -42.5 | 174.2 | -172.8 | 79 | 0 | 0 | 0 | 112.4 | T67 K68 D69 N75 | T67-H71 PolarHBondContact O-N 2.97Å; K68-H71 PolarHBondContact O-N 2.82Å; D69-H71 PolarHBondContact O-N 3.03Å; H71-N75 PolarHBondContact NE2-ND2 3.31Å; H71-N75 PolarHBondContact O-N 2.67Å; H71-N75 PolarHBondContact O-ND2 3.08Å; H71-N75 VanDerWaalsContact O-ND2 3.09Å |
| 72 | R | 97.8 | Very high | 96.1 | Very high | 147 Ų | 147 | 67.2 Ų | 67.2 | 56% | 0.555 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.8 | -44.7 | 175.9 | -69.6 | 166.5 | 178.8 | 170.1 | -3.1 | 111.4 | K68 D69 N75 Y76 | K68-R72 WeakPolarHBondContact O-CG 3.45Å; K68-R72 PolarHBondContact O-N 3.25Å; K68-R72 VanDerWaalsContact O-N 3.17Å; D69-R72 WeakPolarHBondContact O-CB 3.23Å; D69-R72 PolarHBondContact O-N 3.35Å; R72-N75 PolarHBondContact O-N 3Å; R72-Y76 WeakPolarHBondContact O-CB 3.34Å; R72-Y76 PolarHBondContact O-N 3.08Å |
| 73 | L | 98.1 | Very high | 95.9 | Very high | 27 Ų | 27 | 64.5 Ų | 64.5 | 14% | 0.141 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.4 | -38.5 | -178.9 | -69.1 | 172.9 | 0 | 0 | 0 | 112.1 | Y18 L21 D69 L70 N75 Y76 F77 | Y18-L73 HydrophobicContact CD1-CD1 4.08Å; Y18-L73 HydrophobicContact CE1-CD1 3.6Å; L21-L73 HydrophobicContact CD1-CB 3.62Å; L21-L73 HydrophobicContact CD1-CD1 3.78Å; L21-L73 HydrophobicContact CD1-CG 4.33Å; D69-L73 WeakPolarHBondContact O-CB 3.43Å; D69-L73 WeakPolarHBondContact O-CG 3.49Å; D69-L73 PolarHBondContact O-N 2.97Å; D69-L73 WeakPolarHBondContact OD2-CD1 3.44Å; L70-L73 PolarHBondContact O-N 2.9Å; L73-N75 VanDerWaalsContact C-N 3.29Å; L73-N75 PolarHBondContact O-N 3.16Å; L73-Y76 PolarHBondContact O-N 3.37Å; L73-F77 HydrophobicContact CD2-CE1 4.36Å; L73-F77 HydrophobicContact CD2-CE2 4.27Å; L73-F77 HydrophobicContact CD2-CZ 4.02Å; L73-F77 VanDerWaalsContact O-CB 3.28Å; L73-F77 WeakPolarHBondContact O-CB 3.42Å; L73-F77 PolarHBondContact O-N 3.03Å |
| 74 | A | 97.3 | Very high | 96 | Very high | 7 Ų | 7 | 61.7 Ų | 61.7 | 6% | 0.058 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.5 | -48.1 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | L70 S78 V79 L81 | L70-A74 VanDerWaalsContact O-CB 3.24Å; L70-A74 WeakPolarHBondContact O-CB 3.38Å; L70-A74 PolarHBondContact O-N 3.16Å; A74-S78 WeakPolarHBondContact O-CA 3.48Å; A74-S78 PolarHBondContact O-N 2.93Å; A74-V79 PolarHBondContact O-N 3.44Å; A74-L81 HydrophobicContact CB-CB 3.91Å |
| 75 | N | 96.8 | Very high | 96.1 | Very high | 105 Ų | 105 | 63.6 Ų | 63.6 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.7 | -50.7 | 176.6 | -69.7 | -37.9 | 0 | 0 | 0 | 112 | H71 R72 L73 F77 S78 | H71-N75 PolarHBondContact NE2-ND2 3.31Å; H71-N75 PolarHBondContact O-N 2.67Å; H71-N75 PolarHBondContact O-ND2 3.08Å; H71-N75 VanDerWaalsContact O-ND2 3.09Å; R72-N75 PolarHBondContact O-N 3Å; L73-N75 VanDerWaalsContact C-N 3.29Å; L73-N75 PolarHBondContact O-N 3.16Å; N75-F77 PolarHBondContact O-N 3.49Å; N75-S78 PolarHBondContact O-N 3.2Å |
| 76 | Y | 97.2 | Very high | 95.9 | Very high | 141 Ų | 141 | 61 Ų | 61 | 55% | 0.553 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63 | -41.7 | -176.9 | -179.8 | -124.2 | 0 | 0 | 0 | 112.5 | R72 L73 P220 | R72-Y76 WeakPolarHBondContact O-CB 3.34Å; R72-Y76 PolarHBondContact O-N 3.08Å; L73-Y76 PolarHBondContact O-N 3.37Å; Y76-P220 HydrophobicContact CD1-CG 4.18Å; Y76-P220 HydrophobicContact CD2-CG 4.42Å; Y76-P220 HydrophobicContact CE1-CG 3.8Å; Y76-P220 HydrophobicContact CE2-CG 4.05Å; Y76-P220 HydrophobicContact CG-CG 4.47Å |
| 77 | F | 97.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 61 Ų | 61 | 4% | 0.044 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -86.9 | -3.5 | 178.1 | -64.4 | -7 | 0 | 0 | 0 | 113 | L21 I25 R28 L73 N75 V79 S203 P220 | L21-F77 HydrophobicContact CB-CD2 3.76Å; L21-F77 HydrophobicContact CB-CE2 3.94Å; L21-F77 HydrophobicContact CD1-CD2 4.47Å; L21-F77 HydrophobicContact CD2-CB 4.47Å; L21-F77 HydrophobicContact CD2-CD2 3.89Å; L21-F77 HydrophobicContact CG-CD2 4.24Å; I25-F77 HydrophobicContact CD1-CD1 3.95Å; I25-F77 HydrophobicContact CD1-CD2 3.44Å; I25-F77 VanDerWaalsContact CD1-CD2 3.44Å; I25-F77 HydrophobicContact CD1-CE1 3.7Å; I25-F77 HydrophobicContact CD1-CE2 3.21Å; I25-F77 HydrophobicContact CD1-CG 3.83Å; I25-F77 HydrophobicContact CD1-CZ 3.35Å; I25-F77 HydrophobicContact CG1-CD2 4.15Å; I25-F77 HydrophobicContact CG1-CE2 4.36Å; I25-F77 HydrophobicContact CG1-CG 4.36Å; R28-F77 VanDerWaalsContact CZ-O 3.23Å; R28-F77 PolarHBondContact NH1-O 2.94Å; R28-F77 PolarHBondContact NH2-O 3.09Å; L73-F77 HydrophobicContact CD2-CE1 4.36Å; L73-F77 HydrophobicContact CD2-CE2 4.27Å; L73-F77 HydrophobicContact CD2-CZ 4.02Å; L73-F77 VanDerWaalsContact O-CB 3.28Å; L73-F77 WeakPolarHBondContact O-CB 3.42Å; L73-F77 PolarHBondContact O-N 3.03Å; N75-F77 PolarHBondContact O-N 3.49Å; F77-V79 VanDerWaalsContact C-N 3.29Å; F77-V79 HydrophobicContact CB-CG2 3.95Å; F77-V79 PolarHBondContact O-N 3.37Å; F77-S203 WeakPolarHBondContact CZ-O 3.5Å; F77-P220 HydrophobicContact CD1-CB 3.34Å; F77-P220 HydrophobicContact CD1-CG 3.8Å; F77-P220 HydrophobicContact CE1-CB 3.76Å; F77-P220 HydrophobicContact CE1-CG 4.24Å; F77-P220 HydrophobicContact CG-CB 4.14Å |
| 78 | S | 97 | Very high | 95.5 | Very high | 48 Ų | 48 | 61.5 Ų | 61.5 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 47.7 | -175.4 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | R28 A74 N75 R224 | R28-S78 PolarHBondContact NH2-O 2.88Å; A74-S78 WeakPolarHBondContact O-CA 3.48Å; A74-S78 PolarHBondContact O-N 2.93Å; N75-S78 PolarHBondContact O-N 3.2Å; S78-R224 PolarHBondContact OG-NH1 3.41Å |
| 79 | V | 98 | Very high | 95.3 | Very high | 6 Ų | 6 | 57.9 Ų | 57.9 | 4% | 0.036 | 30% | 0.3 | C | S | . | . | trans | -110.5 | 131.3 | 174.4 | 179.1 | 0 | 0 | 0 | 0 | 107.1 | W20 L21 E24 A74 F77 L81 | W20-V79 HydrophobicContact CD2-CG1 3.74Å; W20-V79 HydrophobicContact CE3-CG1 4.04Å; W20-V79 HydrophobicContact CG-CG1 4.32Å; W20-V79 HydrophobicContact CH2-CG1 4.03Å; W20-V79 HydrophobicContact CZ2-CG1 3.72Å; W20-V79 HydrophobicContact CZ3-CG1 4.18Å; L21-V79 HydrophobicContact CD2-CB 3.96Å; L21-V79 HydrophobicContact CD2-CG1 4.25Å; L21-V79 HydrophobicContact CD2-CG2 4.07Å; E24-V79 HydrophobicContact CB-CG2 3.91Å; E24-V79 HydrophobicContact CG-CG1 4.32Å; E24-V79 HydrophobicContact CG-CG2 3.91Å; A74-V79 PolarHBondContact O-N 3.44Å; F77-V79 VanDerWaalsContact C-N 3.29Å; F77-V79 HydrophobicContact CB-CG2 3.95Å; F77-V79 PolarHBondContact O-N 3.37Å; V79-L81 HydrophobicContact CG1-CB 4.34Å; V79-L81 PolarHBondContact O-N 3.17Å | ||
| 80 | P | 97.7 | Very high | 95 | Very high | 48 Ų | 48 | 57.1 Ų | 57.1 | 31% | 0.312 | 30% | 0.297 | S | S | . | . | trans | -77.4 | 56.5 | -175.7 | 34 | -36.6 | 0 | 0 | 0 | 111.6 | W20 H82 S130 | W20-P80 HydrophobicContact CH2-CG 4.04Å; W20-P80 WeakPolarHBondContact CH2-O 3.5Å; W20-P80 HydrophobicContact CZ2-CG 4.15Å; P80-H82 PolarHBondContact O-N 3.33Å; P80-H82 PolarHBondContact O-ND1 3Å; P80-S130 WeakPolarHBondContact O-CB 3.43Å; P80-S130 PolarHBondContact O-OG 3.38Å | ||
| 81 | L | 97.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | trans | -87.3 | 109.2 | -177.9 | -169.6 | 166.1 | 0 | 0 | 0 | 109.8 | P17 W20 L21 L70 A74 V79 P83 W129 | P17-L81 HydrophobicContact CB-CD1 3.91Å; W20-L81 HydrophobicContact CE3-CB 4.1Å; W20-L81 HydrophobicContact CE3-CD1 4.07Å; W20-L81 HydrophobicContact CE3-CG 4.01Å; W20-L81 HydrophobicContact CZ3-CB 3.8Å; W20-L81 HydrophobicContact CZ3-CG 4.01Å; L21-L81 HydrophobicContact CD1-CD1 4.49Å; L21-L81 HydrophobicContact CD2-CD1 4.06Å; L21-L81 HydrophobicContact CG-CD1 4.13Å; L70-L81 HydrophobicContact CB-CD2 4.32Å; L70-L81 HydrophobicContact CD2-CD1 4.3Å; A74-L81 HydrophobicContact CB-CB 3.91Å; V79-L81 HydrophobicContact CG1-CB 4.34Å; V79-L81 PolarHBondContact O-N 3.17Å; L81-P83 HydrophobicContact CD2-CG 3.96Å; L81-W129 CarbonylContact C-O 3.33Å; L81-W129 WeakPolarHBondContact CA-O 3.43Å; L81-W129 HydrophobicContact CG-CB 4.28Å | ||
| 82 | H | 95.1 | Very high | 94.2 | Very high | 112 Ų | 112 | 56.3 Ų | 56.3 | 52% | 0.519 | 29% | 0.292 | S | S | . | . | trans | -119 | 105.7 | 172.1 | -50.8 | 111.2 | 0 | 0 | 0 | 107.9 | P80 W129 | P80-H82 PolarHBondContact O-N 3.33Å; P80-H82 PolarHBondContact O-ND1 3Å; H82-W129 CarbonylContact C-O 3.5Å; H82-W129 PolarHBondContact N-O 3.16Å; H82-W129 CarbonylContact O-C 3.51Å | ||
| 83 | P | 90.4 | Very high | 93.8 | Very high | 60 Ų | 60 | 55.7 Ų | 55.7 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | trans | -54.4 | 144.1 | -178.2 | -25.2 | 34.3 | 0 | 0 | 0 | 111.9 | L81 P87 | L81-P83 HydrophobicContact CD2-CG 3.96Å; P83-P87 HydrophobicContact CB-CG 4.27Å | ||
| 84 | P | 93.8 | Very high | 93.6 | Very high | 7 Ų | 7 | 59 Ų | 59 | 5% | 0.045 | 31% | 0.309 | C | S | . | . | trans | -61.1 | 163.7 | 175 | 28.4 | -36.4 | 0 | 0 | 0 | 111 | D86 P87 V90 W129 D132 | P84-D86 PolarHBondContact O-N 2.81Å; P84-P87 HydrophobicContact CG-CB 4.16Å; P84-P87 HydrophobicContact CG-CG 4.04Å; P84-P87 VanDerWaalsContact O-CD 3.29Å; P84-P87 WeakPolarHBondContact O-CD 3.49Å; P84-P87 WeakPolarHBondContact O-CG 3.2Å; P84-V90 HydrophobicContact CB-CG2 4.33Å; P84-V90 HydrophobicContact CG-CG2 4Å; P84-W129 HydrophobicContact CG-CE3 4.45Å; P84-W129 HydrophobicContact CG-CZ3 4.23Å; P84-D132 HydrophobicContact CB-CB 4.21Å; P84-D132 WeakPolarHBondContact CB-OD1 3.41Å | ||
| 85 | A | 93.6 | Very high | 93.4 | Very high | 94 Ų | 94 | 59.7 Ų | 59.7 | 78% | 0.777 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -58.8 | -36.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D132 | A85-D132 WeakPolarHBondContact CB-OD2 3.23Å; A85-D132 PolarHBondContact N-OD2 2.7Å |
| 86 | D | 92.8 | Very high | 93.4 | Very high | 73 Ų | 73 | 54.8 Ų | 54.8 | 39% | 0.39 | 29% | 0.291 | S | S | . | . | trans | -126.2 | 87.6 | 173 | -167.6 | -17.9 | 0 | 0 | 0 | 111.8 | P84 F88 E89 V90 | P84-D86 PolarHBondContact O-N 2.81Å; D86-F88 PolarHBondContact O-N 3.01Å; D86-F88 WeakPolarHBondContact OD1-CA 3.4Å; D86-F88 VanDerWaalsContact OD1-CB 3.31Å; D86-F88 WeakPolarHBondContact OD1-CB 3.44Å; D86-F88 PolarHBondContact OD1-N 3.34Å; D86-E89 HydrophobicContact CB-CB 3.98Å; D86-E89 PolarHBondContact O-N 3.37Å; D86-E89 PolarHBondContact OD1-N 3.38Å; D86-V90 PolarHBondContact O-N 2.91Å | ||
| 87 | P | 89.6 | Confident | 93.5 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 16% | 0.156 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.5 | -24.8 | 175.7 | -20.3 | 33.2 | 0 | 0 | 0 | 113.1 | P83 P84 M91 W129 | P83-P87 HydrophobicContact CB-CG 4.27Å; P84-P87 HydrophobicContact CG-CB 4.16Å; P84-P87 HydrophobicContact CG-CG 4.04Å; P84-P87 VanDerWaalsContact O-CD 3.29Å; P84-P87 WeakPolarHBondContact O-CD 3.49Å; P84-P87 WeakPolarHBondContact O-CG 3.2Å; P87-M91 HydrophobicContact CB-CE 3.78Å; P87-M91 WeakPolarHBondContact O-CB 3.22Å; P87-M91 WeakPolarHBondContact O-CE 3.21Å; P87-M91 VanDerWaalsContact O-CG 3.3Å; P87-M91 WeakPolarHBondContact O-CG 3.43Å; P87-M91 PolarHBondContact O-N 3.22Å; P87-W129 HydrophobicContact CB-CH2 4.5Å; P87-W129 HydrophobicContact CB-CZ3 4.31Å |
| 88 | F | 89 | Confident | 93.6 | Very high | 84 Ų | 84 | 53.2 Ų | 53.2 | 37% | 0.368 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.8 | -43.7 | 179.7 | -175.5 | -81.6 | 0 | 0 | 0 | 110.4 | L58 D86 V90 M91 F92 | L58-F88 HydrophobicContact CD2-CE2 4.07Å; D86-F88 PolarHBondContact O-N 3.01Å; D86-F88 WeakPolarHBondContact OD1-CA 3.4Å; D86-F88 VanDerWaalsContact OD1-CB 3.31Å; D86-F88 WeakPolarHBondContact OD1-CB 3.44Å; D86-F88 PolarHBondContact OD1-N 3.34Å; F88-V90 VanDerWaalsContact C-N 3.34Å; F88-V90 PolarHBondContact O-N 2.84Å; F88-M91 PolarHBondContact O-N 2.82Å; F88-F92 HydrophobicContact CB-CD2 4.3Å; F88-F92 HydrophobicContact CD1-CB 4.39Å; F88-F92 HydrophobicContact CD1-CD2 4.13Å; F88-F92 AromaticContact CD2-CD2 3.29Å; F88-F92 HydrophobicContact CD2-CD2 3.29Å; F88-F92 AromaticContact CD2-CE2 3.65Å; F88-F92 HydrophobicContact CD2-CE2 3.65Å; F88-F92 HydrophobicContact CD2-CG 4.35Å; F88-F92 HydrophobicContact CE1-CB 4.06Å; F88-F92 HydrophobicContact CE1-CD2 4.24Å; F88-F92 HydrophobicContact CE2-CB 4.48Å; F88-F92 AromaticContact CE2-CD2 3.42Å; F88-F92 HydrophobicContact CE2-CD2 3.42Å; F88-F92 VanDerWaalsContact CE2-CD2 3.42Å; F88-F92 AromaticContact CE2-CE2 3.9Å; F88-F92 HydrophobicContact CE2-CE2 3.9Å; F88-F92 HydrophobicContact CE2-CG 4.13Å; F88-F92 AromaticContact CG-CD2 3.66Å; F88-F92 HydrophobicContact CG-CD2 3.66Å; F88-F92 HydrophobicContact CG-CE2 4.33Å; F88-F92 HydrophobicContact CZ-CB 4.1Å; F88-F92 AromaticContact CZ-CD2 3.9Å; F88-F92 HydrophobicContact CZ-CD2 3.9Å; F88-F92 HydrophobicContact CZ-CG 4.22Å; F88-F92 WeakPolarHBondContact O-CB 3.37Å; F88-F92 WeakPolarHBondContact O-CD2 3.47Å; F88-F92 PolarHBondContact O-N 3.47Å |
| 89 | E | 91.4 | Very high | 93.6 | Very high | 62 Ų | 62 | 51 Ų | 51 | 29% | 0.29 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -56.3 | -48.8 | 174.6 | -172.1 | -163.8 | -170.5 | 0 | 0 | 111.2 | D86 Q93 K94 | D86-E89 HydrophobicContact CB-CB 3.98Å; D86-E89 PolarHBondContact O-N 3.37Å; D86-E89 PolarHBondContact OD1-N 3.38Å; E89-Q93 HydrophobicContact CG-CB 4.29Å; E89-Q93 WeakPolarHBondContact O-CA 3.44Å; E89-Q93 WeakPolarHBondContact O-CB 3.43Å; E89-Q93 PolarHBondContact O-N 2.87Å; E89-K94 VanDerWaalsContact CD-CE 3.43Å; E89-K94 HydrophobicContact CG-CD 4.3Å; E89-K94 HydrophobicContact CG-CG 4.41Å; E89-K94 PolarHBondContact O-N 2.81Å; E89-K94 WeakPolarHBondContact OE1-CE 3.27Å; E89-K94 IonicContact OE1-NZ 3.01Å; E89-K94 PolarHBondContact OE1-NZ 3.16Å; E89-K94 IonicContact OE2-NZ 3.54Å; E89-K94 PolarHBondContact OE2-NZ 2.88Å |
| 90 | V | 90.8 | Very high | 93.7 | Very high | 13 Ų | 13 | 50.7 Ų | 50.7 | 8% | 0.079 | 28% | 0.279 | C | S | . | . | I | π-helix | trans | -59 | -51.4 | 178.1 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | P84 D86 F88 G95 I128 W129 | P84-V90 HydrophobicContact CB-CG2 4.33Å; P84-V90 HydrophobicContact CG-CG2 4Å; D86-V90 PolarHBondContact O-N 2.91Å; F88-V90 VanDerWaalsContact C-N 3.34Å; F88-V90 PolarHBondContact O-N 2.84Å; V90-G95 PolarHBondContact O-N 3.43Å; V90-I128 HydrophobicContact CG1-CG2 3.48Å; V90-I128 VanDerWaalsContact CG1-CG2 3.48Å; V90-I128 HydrophobicContact CG2-CG2 4.47Å; V90-W129 HydrophobicContact CG1-CZ2 4.39Å |
| 91 | M | 89.1 | Confident | 93.7 | Very high | 42 Ų | 42 | 51.5 Ų | 51.5 | 21% | 0.207 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -74.2 | -35 | -172.3 | -72.2 | -174.8 | -76.6 | 0 | 0 | 113.8 | V15 F63 P87 F88 W129 | V15-M91 HydrophobicContact CG2-CB 4.37Å; V15-M91 HydrophobicContact CG2-CG 4.09Å; F63-M91 HydrophobicContact CE2-CE 4.48Å; P87-M91 HydrophobicContact CB-CE 3.78Å; P87-M91 WeakPolarHBondContact O-CB 3.22Å; P87-M91 WeakPolarHBondContact O-CE 3.21Å; P87-M91 VanDerWaalsContact O-CG 3.3Å; P87-M91 WeakPolarHBondContact O-CG 3.43Å; P87-M91 PolarHBondContact O-N 3.22Å; F88-M91 PolarHBondContact O-N 2.82Å; M91-W129 HydrophobicContact CG-CH2 4.05Å; M91-W129 HydrophobicContact CG-CZ2 4.34Å; M91-W129 HydrophobicContact SD-CH2 4.19Å |
| 92 | F | 87.5 | Confident | 93.8 | Very high | 69 Ų | 69 | 51.3 Ų | 51.3 | 30% | 0.303 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -119.5 | -16.2 | -166.2 | -56.3 | -63.1 | 0 | 0 | 0 | 114.9 | P55 F88 | P55-F92 HydrophobicContact CB-CE1 3.35Å; P55-F92 HydrophobicContact CB-CZ 3.6Å; P55-F92 HydrophobicContact CG-CD1 4.34Å; P55-F92 HydrophobicContact CG-CE1 3.48Å; P55-F92 VanDerWaalsContact CG-CE1 3.48Å; P55-F92 HydrophobicContact CG-CZ 4.25Å; F88-F92 HydrophobicContact CB-CD2 4.3Å; F88-F92 HydrophobicContact CD1-CB 4.39Å; F88-F92 HydrophobicContact CD1-CD2 4.13Å; F88-F92 AromaticContact CD2-CD2 3.29Å; F88-F92 HydrophobicContact CD2-CD2 3.29Å; F88-F92 AromaticContact CD2-CE2 3.65Å; F88-F92 HydrophobicContact CD2-CE2 3.65Å; F88-F92 HydrophobicContact CD2-CG 4.35Å; F88-F92 HydrophobicContact CE1-CB 4.06Å; F88-F92 HydrophobicContact CE1-CD2 4.24Å; F88-F92 HydrophobicContact CE2-CB 4.48Å; F88-F92 AromaticContact CE2-CD2 3.42Å; F88-F92 HydrophobicContact CE2-CD2 3.42Å; F88-F92 VanDerWaalsContact CE2-CD2 3.42Å; F88-F92 AromaticContact CE2-CE2 3.9Å; F88-F92 HydrophobicContact CE2-CE2 3.9Å; F88-F92 HydrophobicContact CE2-CG 4.13Å; F88-F92 AromaticContact CG-CD2 3.66Å; F88-F92 HydrophobicContact CG-CD2 3.66Å; F88-F92 HydrophobicContact CG-CE2 4.33Å; F88-F92 HydrophobicContact CZ-CB 4.1Å; F88-F92 AromaticContact CZ-CD2 3.9Å; F88-F92 HydrophobicContact CZ-CD2 3.9Å; F88-F92 HydrophobicContact CZ-CG 4.22Å; F88-F92 WeakPolarHBondContact O-CB 3.37Å; F88-F92 WeakPolarHBondContact O-CD2 3.47Å; F88-F92 PolarHBondContact O-N 3.47Å |
| 93 | Q | 89.7 | Confident | 94 | Very high | 134 Ų | 134 | 46 Ų | 46 | 63% | 0.626 | 25% | 0.25 | S | S | * | . | I | π-helix | trans | -110.4 | -52.8 | 179.6 | -56.7 | -178.3 | 8.6 | 0 | 0 | 111.7 | E89 | E89-Q93 HydrophobicContact CG-CB 4.29Å; E89-Q93 WeakPolarHBondContact O-CA 3.44Å; E89-Q93 WeakPolarHBondContact O-CB 3.43Å; E89-Q93 PolarHBondContact O-N 2.87Å |
| 94 | K | 93.1 | Very high | 94.4 | Very high | 96 Ų | 96 | 43.4 Ų | 43.4 | 42% | 0.417 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -76.7 | -51.5 | -179.6 | -74.6 | 175.2 | 179.7 | 153.1 | 0 | 111.9 | E89 T136 | E89-K94 VanDerWaalsContact CD-CE 3.43Å; E89-K94 HydrophobicContact CG-CD 4.3Å; E89-K94 HydrophobicContact CG-CG 4.41Å; E89-K94 PolarHBondContact O-N 2.81Å; E89-K94 WeakPolarHBondContact OE1-CE 3.27Å; E89-K94 IonicContact OE1-NZ 3.01Å; E89-K94 PolarHBondContact OE1-NZ 3.16Å; E89-K94 IonicContact OE2-NZ 3.54Å; E89-K94 PolarHBondContact OE2-NZ 2.88Å; K94-T136 HydrophobicContact CB-CG2 3.81Å; K94-T136 HydrophobicContact CG-CG2 4.25Å |
| 95 | G | 93.8 | Very high | 94.6 | Very high | 22 Ų | 22 | 43.1 Ų | 43.1 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | trans | 63.4 | -173.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V90 | V90-G95 PolarHBondContact O-N 3.43Š| ||
| 96 | T | 97.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -134.3 | 14.9 | -169.8 | 49.9 | 0 | 0 | 0 | 0 | 113.4 | D13 V14 V15 S98 A99 M100 I128 V135 | D13-T96 WeakPolarHBondContact OD1-CB 3.45Å; D13-T96 PolarHBondContact OD1-OG1 2.87Å; D13-T96 PolarHBondContact OD2-OG1 3.01Å; V14-T96 HydrophobicContact CG2-CG2 3.84Å; V15-T96 HydrophobicContact CB-CG2 3.5Å; V15-T96 WeakPolarHBondContact CB-OG1 3.45Å; V15-T96 HydrophobicContact CG2-CG2 3.89Å; T96-S98 VanDerWaalsContact C-N 3.32Å; T96-S98 PolarHBondContact O-N 3.09Å; T96-A99 CarbonylContact O-C 3.49Å; T96-A99 WeakPolarHBondContact O-CA 3.24Å; T96-A99 WeakPolarHBondContact O-CB 3.44Å; T96-A99 PolarHBondContact O-N 3.35Å; T96-M100 WeakPolarHBondContact O-CG 3.37Å; T96-M100 PolarHBondContact O-N 2.85Å; T96-I128 HydrophobicContact CG2-CD1 4.42Å; T96-V135 HydrophobicContact CG2-CG1 4.07Å |
| 97 | L | 98.4 | Very high | 95.1 | Very high | 63 Ų | 63 | 37.6 Ų | 37.6 | 33% | 0.33 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -55.8 | -45.8 | -176.4 | -179.7 | 60.9 | 0 | 0 | 0 | 112.5 | F43 M100 R101 L171 | F43-L97 HydrophobicContact CD1-CD1 4.15Å; F43-L97 HydrophobicContact CD2-CB 4.39Å; F43-L97 HydrophobicContact CD2-CD1 4.08Å; F43-L97 HydrophobicContact CE1-CD1 4.29Å; F43-L97 HydrophobicContact CE2-CB 3.87Å; F43-L97 HydrophobicContact CE2-CD1 4.22Å; F43-L97 HydrophobicContact CG-CD1 4.05Å; F43-L97 HydrophobicContact CZ-CB 4.14Å; F43-L97 HydrophobicContact CZ-CD1 4.32Å; L97-M100 PolarHBondContact O-N 3.42Å; L97-R101 WeakPolarHBondContact O-CG 3.11Å; L97-R101 PolarHBondContact O-N 3.39Å; L97-L171 HydrophobicContact CD1-CD2 3.99Å |
| 98 | S | 98.5 | Very high | 95.5 | Very high | 55 Ų | 55 | 39.8 Ų | 39.8 | 39% | 0.385 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.3 | -39.4 | 176.7 | -59.2 | 0 | 0 | 0 | 0 | 112 | T96 R101 F102 | T96-S98 VanDerWaalsContact C-N 3.32Å; T96-S98 PolarHBondContact O-N 3.09Å; S98-R101 PolarHBondContact O-N 3.37Å; S98-F102 PolarHBondContact O-N 2.83Å |
| 99 | A | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.4 | -46 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V14 T96 R101 F102 V103 V135 F141 | V14-A99 HydrophobicContact CG2-CB 3.99Å; T96-A99 CarbonylContact O-C 3.49Å; T96-A99 WeakPolarHBondContact O-CA 3.24Å; T96-A99 WeakPolarHBondContact O-CB 3.44Å; T96-A99 PolarHBondContact O-N 3.35Å; A99-R101 VanDerWaalsContact C-N 3.33Å; A99-R101 PolarHBondContact O-N 3.19Å; A99-F102 WeakPolarHBondContact O-CB 3.35Å; A99-F102 PolarHBondContact O-N 2.81Å; A99-F102 VanDerWaalsContact O-N 3.13Å; A99-V103 WeakPolarHBondContact O-CG2 3.23Å; A99-V103 PolarHBondContact O-N 3.29Å; A99-V135 HydrophobicContact CB-CG2 3.76Å; A99-F141 HydrophobicContact CB-CE1 3.7Å; A99-F141 HydrophobicContact CB-CZ 4.23Å |
| 100 | M | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.1 | -34.4 | 179.4 | -65.4 | -46.5 | -61 | 0 | 0 | 111.9 | Y12 D13 V14 P41 A42 T96 L97 V103 T104 L171 | Y12-M100 HydrophobicContact CD2-CE 4.44Å; Y12-M100 HydrophobicContact CE2-CE 4.31Å; Y12-M100 WeakPolarHBondContact O-CE 3.21Å; D13-M100 HydrophobicContact CB-SD 4.32Å; V14-M100 HydrophobicContact CB-SD 4.31Å; V14-M100 HydrophobicContact CG1-SD 4.05Å; V14-M100 HydrophobicContact CG2-SD 3.86Å; V14-M100 PolarHBondContact N-SD 2.71Å; V14-M100 VanDerWaalsContact N-SD 3.39Å; P41-M100 HydrophobicContact CB-CE 3.66Å; A42-M100 WeakPolarHBondContact O-CE 3.35Å; T96-M100 WeakPolarHBondContact O-CG 3.37Å; T96-M100 PolarHBondContact O-N 2.85Å; L97-M100 PolarHBondContact O-N 3.42Å; M100-V103 PolarHBondContact O-N 2.97Å; M100-T104 PolarHBondContact O-N 3.17Å; M100-T104 PolarHBondContact O-OG1 3.46Å; M100-L171 HydrophobicContact CB-CD1 4.03Å; M100-L171 HydrophobicContact CB-CD2 3.93Å |
| 101 | R | 98.9 | Very high | 95.7 | Very high | 65 Ų | 65 | 42.6 Ų | 42.6 | 25% | 0.245 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 169.7 | -73.2 | 173.4 | -179.6 | 167.9 | -2.4 | 112 | L97 S98 A99 T104 A105 S162 I167 L171 | L97-R101 WeakPolarHBondContact O-CG 3.11Å; L97-R101 PolarHBondContact O-N 3.39Å; S98-R101 PolarHBondContact O-N 3.37Å; A99-R101 VanDerWaalsContact C-N 3.33Å; A99-R101 PolarHBondContact O-N 3.19Å; R101-T104 PolarHBondContact O-N 3.29Å; R101-A105 PolarHBondContact O-N 3.31Å; R101-S162 WeakPolarHBondContact CB-O 3.5Å; R101-I167 HydrophobicContact CB-CG2 4.25Å; R101-I167 VanDerWaalsContact O-CG2 3.22Å; R101-I167 WeakPolarHBondContact O-CG2 3.48Å; R101-L171 HydrophobicContact CG-CD2 3.66Å |
| 102 | F | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 175.8 | -178.3 | -100.1 | 0 | 0 | 0 | 111.6 | S98 A99 T104 A105 V106 V120 F141 A145 A158 L159 | S98-F102 PolarHBondContact O-N 2.83Å; A99-F102 WeakPolarHBondContact O-CB 3.35Å; A99-F102 PolarHBondContact O-N 2.81Å; A99-F102 VanDerWaalsContact O-N 3.13Å; F102-T104 VanDerWaalsContact C-N 3.34Å; F102-T104 PolarHBondContact O-N 2.9Å; F102-A105 WeakPolarHBondContact O-CB 3.21Å; F102-A105 PolarHBondContact O-N 2.78Å; F102-A105 VanDerWaalsContact O-N 3.09Å; F102-V106 HydrophobicContact CD1-CG2 4.37Å; F102-V106 HydrophobicContact CE1-CG2 3.98Å; F102-V106 HydrophobicContact CZ-CG2 4.17Å; F102-V106 WeakPolarHBondContact O-CG2 3.4Å; F102-V106 PolarHBondContact O-N 2.96Å; F102-V120 HydrophobicContact CD1-CG1 4.15Å; F102-V120 HydrophobicContact CE1-CG1 3.85Å; F102-F141 HydrophobicContact CB-CD2 4.19Å; F102-F141 HydrophobicContact CB-CG 4.21Å; F102-F141 HydrophobicContact CD1-CB 3.84Å; F102-F141 HydrophobicContact CD1-CG 4.22Å; F102-F141 HydrophobicContact CD2-CB 3.95Å; F102-F141 HydrophobicContact CD2-CD2 4.35Å; F102-F141 HydrophobicContact CD2-CG 4.33Å; F102-F141 HydrophobicContact CE1-CB 3.9Å; F102-F141 HydrophobicContact CE2-CB 4Å; F102-F141 HydrophobicContact CG-CB 3.86Å; F102-F141 HydrophobicContact CG-CD2 4.24Å; F102-F141 AromaticContact CG-CG 3.99Å; F102-F141 HydrophobicContact CG-CG 3.99Å; F102-F141 HydrophobicContact CZ-CB 3.98Å; F102-A145 HydrophobicContact CE1-CB 4.04Å; F102-A145 HydrophobicContact CZ-CB 3.84Å; F102-A158 HydrophobicContact CD2-CB 4.23Å; F102-A158 HydrophobicContact CE2-CB 3.58Å; F102-A158 HydrophobicContact CZ-CB 4.08Å; F102-L159 HydrophobicContact CD2-CD2 3.93Å; F102-L159 HydrophobicContact CD2-CG 4.46Å; F102-L159 HydrophobicContact CE2-CD2 3.84Å; F102-L159 HydrophobicContact CE2-CG 3.99Å |
| 103 | V | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 174.1 | 178.9 | 0 | 0 | 0 | 0 | 111.5 | Y12 P41 A99 M100 A105 V106 Q107 V117 V120 L124 | Y12-V103 WeakPolarHBondContact OH-CG1 3.29Å; P41-V103 HydrophobicContact CB-CB 4.46Å; P41-V103 HydrophobicContact CB-CG1 3.92Å; P41-V103 HydrophobicContact CG-CG1 3.64Å; A99-V103 WeakPolarHBondContact O-CG2 3.23Å; A99-V103 PolarHBondContact O-N 3.29Å; M100-V103 PolarHBondContact O-N 2.97Å; V103-A105 VanDerWaalsContact C-N 3.3Å; V103-A105 PolarHBondContact O-N 3.21Å; V103-V106 PolarHBondContact O-N 3.49Å; V103-Q107 PolarHBondContact O-N 3.48Å; V103-V117 HydrophobicContact CG1-CG1 4.05Å; V103-V120 HydrophobicContact CG2-CG1 4.37Å; V103-L124 HydrophobicContact CG2-CD1 3.33Å |
| 104 | T | 98.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -35.2 | 174.2 | -58.2 | 0 | 0 | 0 | 0 | 112.1 | M100 R101 F102 Q107 H108 I167 K170 L171 | M100-T104 PolarHBondContact O-N 3.17Å; M100-T104 PolarHBondContact O-OG1 3.46Å; R101-T104 PolarHBondContact O-N 3.29Å; F102-T104 VanDerWaalsContact C-N 3.34Å; F102-T104 PolarHBondContact O-N 2.9Å; T104-Q107 PolarHBondContact O-N 3.44Å; T104-H108 WeakPolarHBondContact O-CB 3.5Å; T104-H108 PolarHBondContact O-N 3.5Å; T104-I167 HydrophobicContact CG2-CD1 4.49Å; T104-I167 HydrophobicContact CG2-CG2 3.96Å; T104-K170 HydrophobicContact CG2-CB 3.71Å; T104-L171 HydrophobicContact CG2-CB 4.48Å |
| 105 | A | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67 | -44.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R101 F102 V103 Q107 H108 M109 A158 L161 I167 | R101-A105 PolarHBondContact O-N 3.31Å; F102-A105 WeakPolarHBondContact O-CB 3.21Å; F102-A105 PolarHBondContact O-N 2.78Å; F102-A105 VanDerWaalsContact O-N 3.09Å; V103-A105 VanDerWaalsContact C-N 3.3Å; V103-A105 PolarHBondContact O-N 3.21Å; A105-Q107 VanDerWaalsContact C-N 3.33Å; A105-Q107 PolarHBondContact O-N 3.32Å; A105-H108 WeakPolarHBondContact O-CB 3.2Å; A105-H108 PolarHBondContact O-N 2.65Å; A105-H108 VanDerWaalsContact O-N 3.13Å; A105-M109 WeakPolarHBondContact O-CG 3.37Å; A105-M109 PolarHBondContact O-N 3.21Å; A105-M109 VanDerWaalsContact O-N 3.08Å; A105-A158 WeakPolarHBondContact CB-O 3.49Å; A105-L161 HydrophobicContact CB-CB 3.94Å; A105-I167 HydrophobicContact CB-CD1 4.31Å; A105-I167 HydrophobicContact CB-CG1 4.11Å; A105-I167 HydrophobicContact CB-CG2 4.28Å |
| 106 | V | 98.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.6 | -47.6 | 172.5 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | F102 V103 H108 M109 E110 Q116 V117 V120 L150 A158 | F102-V106 HydrophobicContact CD1-CG2 4.37Å; F102-V106 HydrophobicContact CE1-CG2 3.98Å; F102-V106 HydrophobicContact CZ-CG2 4.17Å; F102-V106 WeakPolarHBondContact O-CG2 3.4Å; F102-V106 PolarHBondContact O-N 2.96Å; V103-V106 PolarHBondContact O-N 3.49Å; V106-H108 VanDerWaalsContact C-N 3.26Å; V106-H108 PolarHBondContact O-N 3.33Å; V106-M109 PolarHBondContact O-N 3.45Å; V106-E110 PolarHBondContact O-N 2.93Å; V106-E110 VanDerWaalsContact O-N 3.16Å; V106-Q116 HydrophobicContact CG1-CB 3.79Å; V106-V117 HydrophobicContact CG1-CG2 4.29Å; V106-V120 HydrophobicContact CG1-CG2 4.19Å; V106-V120 HydrophobicContact CG2-CG1 4.45Å; V106-V120 HydrophobicContact CG2-CG2 4.34Å; V106-L150 HydrophobicContact CG1-CD2 4.42Å; V106-L150 HydrophobicContact CG2-CD2 4.1Å; V106-A158 HydrophobicContact CG2-CB 4.07Å |
| 107 | Q | 98.3 | Very high | 95.7 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 23% | 0.234 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.1 | -37.4 | 176.1 | -173.7 | 169.6 | 59.2 | 0 | 0 | 112.7 | F39 V103 T104 A105 M109 E110 D114 V117 | F39-Q107 PolarHBondContact O-NE2 2.99Å; V103-Q107 PolarHBondContact O-N 3.48Å; T104-Q107 PolarHBondContact O-N 3.44Å; A105-Q107 VanDerWaalsContact C-N 3.33Å; A105-Q107 PolarHBondContact O-N 3.32Å; Q107-M109 VanDerWaalsContact C-N 3.31Å; Q107-M109 PolarHBondContact O-N 2.92Å; Q107-E110 PolarHBondContact O-N 2.93Å; Q107-D114 PolarHBondContact NE2-OD1 3.27Å; Q107-D114 VanDerWaalsContact NE2-OD1 3.08Å; Q107-V117 HydrophobicContact CB-CG2 3.38Å; Q107-V117 HydrophobicContact CG-CG2 3.83Å |
| 108 | H | 97.8 | Very high | 95.7 | Very high | 70 Ų | 70 | 42.1 Ų | 42.1 | 32% | 0.324 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.6 | -31.8 | -179.8 | 178.1 | 46.8 | 0 | 0 | 0 | 113 | T104 A105 V106 E166 I167 K170 | T104-H108 WeakPolarHBondContact O-CB 3.5Å; T104-H108 PolarHBondContact O-N 3.5Å; A105-H108 WeakPolarHBondContact O-CB 3.2Å; A105-H108 PolarHBondContact O-N 2.65Å; A105-H108 VanDerWaalsContact O-N 3.13Å; V106-H108 VanDerWaalsContact C-N 3.26Å; V106-H108 PolarHBondContact O-N 3.33Å; H108-E166 IonicContact CE1-OE1 2.72Å; H108-E166 PolarHBondContact CE1-OE1 3.47Å; H108-E166 VanDerWaalsContact CE1-OE1 3.29Å; H108-E166 IonicContact NE2-OE1 3.61Å; H108-E166 IonicContact NE2-OE2 3.75Å; H108-I167 HydrophobicContact CB-CD1 3.59Å; H108-K170 HydrophobicContact CB-CD 4.43Å; H108-K170 WeakPolarHBondContact ND1-CE 3.43Å; H108-K170 PolarHBondContact ND1-NZ 3.02Å |
| 109 | M | 96.9 | Very high | 95.7 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 19% | 0.187 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -79.3 | -25.3 | 178.1 | -69.7 | 170.7 | 48 | 0 | 0 | 112.9 | A105 V106 Q107 E154 K157 A158 L161 | A105-M109 WeakPolarHBondContact O-CG 3.37Å; A105-M109 PolarHBondContact O-N 3.21Å; A105-M109 VanDerWaalsContact O-N 3.08Å; V106-M109 PolarHBondContact O-N 3.45Å; Q107-M109 VanDerWaalsContact C-N 3.31Å; Q107-M109 PolarHBondContact O-N 2.92Å; M109-E154 HydrophobicContact CE-CB 4.13Å; M109-E154 HydrophobicContact CE-CG 4.35Å; M109-E154 WeakPolarHBondContact CE-O 3.37Å; M109-K157 HydrophobicContact CE-CB 4.05Å; M109-K157 HydrophobicContact CE-CD 3.94Å; M109-K157 HydrophobicContact CE-CG 4.07Å; M109-K157 HydrophobicContact SD-CB 4.2Å; M109-K157 HydrophobicContact SD-CD 4.23Å; M109-K157 HydrophobicContact SD-CG 3.9Å; M109-A158 HydrophobicContact SD-CB 3.81Å; M109-L161 HydrophobicContact CG-CD1 3.64Å; M109-L161 HydrophobicContact SD-CD1 3.77Å |
| 110 | E | 93.4 | Very high | 95.7 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 16% | 0.159 | 22% | 0.22 | C | C | . | . | trans | -72.5 | 127.7 | -177.9 | -166.4 | 160.4 | -163.6 | 0 | 0 | 110.9 | V106 Q107 D114 K115 Q116 V117 | V106-E110 PolarHBondContact O-N 2.93Å; V106-E110 VanDerWaalsContact O-N 3.16Å; Q107-E110 PolarHBondContact O-N 2.93Å; E110-D114 WeakPolarHBondContact OE2-CA 3.49Å; E110-K115 WeakPolarHBondContact OE1-CA 3.29Å; E110-K115 WeakPolarHBondContact OE1-CB 3.47Å; E110-K115 PolarHBondContact OE1-N 2.95Å; E110-K115 PolarHBondContact OE2-N 2.92Å; E110-Q116 PolarHBondContact OE1-N 3.42Å; E110-Q116 WeakPolarHBondContact OE2-CB 3.39Å; E110-Q116 PolarHBondContact OE2-N 3.09Å; E110-Q116 VanDerWaalsContact OE2-N 3.12Å; E110-V117 WeakPolarHBondContact OE2-CG2 3.01Å; E110-V117 PolarHBondContact OE2-N 2.91Å; E110-V117 VanDerWaalsContact OE2-N 3.16Å | ||
| 111 | T | 84.9 | Confident | 95.7 | Very high | 146 Ų | 146 | 42.5 Ų | 42.5 | 90% | 0.896 | 22% | 0.22 | S | C | * | . | trans | -100.9 | -20.7 | -174.4 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 112 | D | 83.6 | Confident | 95.7 | Very high | 143 Ų | 143 | 40.9 Ų | 40.9 | 77% | 0.765 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -140.7 | 109.6 | 179.7 | -172.1 | 18.3 | 0 | 0 | 0 | 111.8 | ||
| 113 | G | 85.8 | Confident | 95.7 | Very high | 39 Ų | 39 | 42 Ų | 42 | 40% | 0.402 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 81.2 | -155.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 114 | D | 92 | Very high | 95.7 | Very high | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -138.8 | 35.1 | -179.7 | -63.5 | -62.8 | 0 | 0 | 0 | 110.3 | F39 Q107 E110 V117 E118 | F39-D114 HydrophobicContact CB-CB 4.48Å; F39-D114 HydrophobicContact CD2-CB 3.56Å; F39-D114 HydrophobicContact CE2-CB 4.23Å; F39-D114 HydrophobicContact CG-CB 4.46Å; F39-D114 PolarHBondContact N-OD2 3.32Å; Q107-D114 PolarHBondContact NE2-OD1 3.27Å; Q107-D114 VanDerWaalsContact NE2-OD1 3.08Å; E110-D114 WeakPolarHBondContact OE2-CA 3.49Å; D114-V117 HydrophobicContact CB-CB 4.22Å; D114-E118 WeakPolarHBondContact O-CB 3.43Å; D114-E118 PolarHBondContact O-N 2.87Å |
| 115 | K | 95.2 | Very high | 95.7 | Very high | 154 Ų | 154 | 41.8 Ų | 41.8 | 67% | 0.67 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -68.6 | -47.4 | -175.6 | -178.8 | -175.9 | 174.8 | -172.1 | 0 | 111 | E110 E118 Q119 | E110-K115 WeakPolarHBondContact OE1-CA 3.29Å; E110-K115 WeakPolarHBondContact OE1-CB 3.47Å; E110-K115 PolarHBondContact OE1-N 2.95Å; E110-K115 PolarHBondContact OE2-N 2.92Å; K115-E118 WeakPolarHBondContact O-CB 3.4Å; K115-E118 PolarHBondContact O-N 3.29Å; K115-Q119 WeakPolarHBondContact O-CG 3.28Å; K115-Q119 PolarHBondContact O-N 3.27Å; K115-Q119 VanDerWaalsContact O-N 3.12Å |
| 116 | Q | 97.1 | Very high | 95.7 | Very high | 45 Ų | 45 | 45.9 Ų | 45.9 | 21% | 0.21 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.2 | -42.1 | 178.8 | -69.4 | -178.8 | -24 | 0 | 0 | 110.3 | V106 E110 E118 Q119 V120 L150 E154 | V106-Q116 HydrophobicContact CG1-CB 3.79Å; E110-Q116 PolarHBondContact OE1-N 3.42Å; E110-Q116 WeakPolarHBondContact OE2-CB 3.39Å; E110-Q116 PolarHBondContact OE2-N 3.09Å; E110-Q116 VanDerWaalsContact OE2-N 3.12Å; Q116-E118 VanDerWaalsContact C-N 3.28Å; Q116-E118 PolarHBondContact O-N 3.21Å; Q116-Q119 PolarHBondContact O-N 2.85Å; Q116-V120 WeakPolarHBondContact O-CB 3.45Å; Q116-V120 WeakPolarHBondContact O-CG2 3.34Å; Q116-V120 PolarHBondContact O-N 3.45Å; Q116-L150 HydrophobicContact CB-CD1 4.3Å; Q116-L150 HydrophobicContact CG-CD1 4.3Å; Q116-E154 PolarHBondContact NE2-OE1 3.13Å |
| 117 | V | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -55.5 | -44.3 | 173.2 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | Y12 F39 P41 V103 V106 Q107 E110 D114 S121 | Y12-V117 WeakPolarHBondContact OH-CG1 3.38Å; F39-V117 HydrophobicContact CB-CG1 3.99Å; F39-V117 HydrophobicContact CD2-CG1 4.26Å; F39-V117 HydrophobicContact CG-CG1 4.48Å; P41-V117 HydrophobicContact CG-CG1 4.39Å; V103-V117 HydrophobicContact CG1-CG1 4.05Å; V106-V117 HydrophobicContact CG1-CG2 4.29Å; Q107-V117 HydrophobicContact CB-CG2 3.38Å; Q107-V117 HydrophobicContact CG-CG2 3.83Å; E110-V117 WeakPolarHBondContact OE2-CG2 3.01Å; E110-V117 PolarHBondContact OE2-N 2.91Å; E110-V117 VanDerWaalsContact OE2-N 3.16Å; D114-V117 HydrophobicContact CB-CB 4.22Å; V117-S121 VanDerWaalsContact O-CB 3.23Å; V117-S121 WeakPolarHBondContact O-CB 3.41Å; V117-S121 PolarHBondContact O-N 3.47Å; V117-S121 PolarHBondContact O-OG 3.46Å |
| 118 | E | 98.4 | Very high | 95.7 | Very high | 26 Ų | 26 | 44 Ų | 44 | 12% | 0.121 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.6 | -53.5 | 177.2 | -160.8 | -174.7 | 118.2 | 0 | 0 | 111.6 | F23 R30 F39 D114 K115 Q116 S121 R122 | F23-E118 HydrophobicContact CE1-CG 4.19Å; F23-E118 HydrophobicContact CE2-CG 4Å; F23-E118 HydrophobicContact CZ-CB 4.25Å; F23-E118 HydrophobicContact CZ-CG 3.35Å; F23-E118 WeakPolarHBondContact CZ-O 3.49Å; R30-E118 IonicContact CZ-OE2 3.48Å; R30-E118 IonicContact NE-OE2 3.66Å; R30-E118 IonicContact NH2-OE2 2.73Å; R30-E118 PolarHBondContact NH2-OE2 3.36Å; F39-E118 HydrophobicContact CD2-CB 4.39Å; F39-E118 HydrophobicContact CE2-CB 3.66Å; F39-E118 HydrophobicContact CE2-CG 3.66Å; F39-E118 HydrophobicContact CZ-CB 4.38Å; F39-E118 HydrophobicContact CZ-CG 3.88Å; D114-E118 WeakPolarHBondContact O-CB 3.43Å; D114-E118 PolarHBondContact O-N 2.87Å; K115-E118 WeakPolarHBondContact O-CB 3.4Å; K115-E118 PolarHBondContact O-N 3.29Å; Q116-E118 VanDerWaalsContact C-N 3.28Å; Q116-E118 PolarHBondContact O-N 3.21Å; E118-S121 PolarHBondContact O-N 2.77Å; E118-R122 WeakPolarHBondContact O-CB 3.31Å; E118-R122 PolarHBondContact O-N 2.85Å; E118-R122 IonicContact OE1-CZ 3.2Å; E118-R122 IonicContact OE1-NH1 3.91Å; E118-R122 PolarHBondContact OE1-NH1 3.17Å; E118-R122 IonicContact OE1-NH2 3.8Å; E118-R122 PolarHBondContact OE1-NH2 3.45Å |
| 119 | Q | 98.5 | Very high | 95.7 | Very high | 63 Ų | 63 | 40.8 Ų | 40.8 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.5 | -43.6 | -174.8 | -61.9 | -52.7 | -33.5 | 0 | 0 | 111.9 | K115 Q116 S121 R122 E123 A148 | K115-Q119 WeakPolarHBondContact O-CG 3.28Å; K115-Q119 PolarHBondContact O-N 3.27Å; K115-Q119 VanDerWaalsContact O-N 3.12Å; Q116-Q119 PolarHBondContact O-N 2.85Å; Q119-S121 PolarHBondContact O-N 3.47Å; Q119-R122 PolarHBondContact O-N 3.43Å; Q119-E123 WeakPolarHBondContact O-CG 3.44Å; Q119-E123 PolarHBondContact O-N 3.3Å; Q119-A148 HydrophobicContact CB-CB 3.69Å |
| 120 | V | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.5 | 172 | 0 | 0 | 0 | 0 | 110.9 | F102 V103 V106 Q116 R122 E123 L124 A145 A148 L150 | F102-V120 HydrophobicContact CD1-CG1 4.15Å; F102-V120 HydrophobicContact CE1-CG1 3.85Å; V103-V120 HydrophobicContact CG2-CG1 4.37Å; V106-V120 HydrophobicContact CG1-CG2 4.19Å; V106-V120 HydrophobicContact CG2-CG1 4.45Å; V106-V120 HydrophobicContact CG2-CG2 4.34Å; Q116-V120 WeakPolarHBondContact O-CB 3.45Å; Q116-V120 WeakPolarHBondContact O-CG2 3.34Å; Q116-V120 PolarHBondContact O-N 3.45Å; V120-R122 VanDerWaalsContact C-N 3.34Å; V120-R122 PolarHBondContact O-N 2.94Å; V120-E123 PolarHBondContact O-N 3.42Å; V120-L124 HydrophobicContact CG1-CD1 3.9Å; V120-L124 HydrophobicContact CG1-CG 4.34Å; V120-L124 VanDerWaalsContact O-CG 3.29Å; V120-L124 WeakPolarHBondContact O-CG 3.26Å; V120-L124 PolarHBondContact O-N 3.23Å; V120-A145 HydrophobicContact CG2-CB 4.47Å; V120-A148 HydrophobicContact CB-CB 4.41Å; V120-A148 HydrophobicContact CG2-CB 3.71Å; V120-L150 HydrophobicContact CG2-CD1 3.64Å; V120-L150 HydrophobicContact CG2-CD2 4.26Å |
| 121 | S | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 178.7 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | Y12 V117 E118 Q119 E123 L124 W125 | Y12-S121 PolarHBondContact OH-OG 2.96Å; V117-S121 VanDerWaalsContact O-CB 3.23Å; V117-S121 WeakPolarHBondContact O-CB 3.41Å; V117-S121 PolarHBondContact O-N 3.47Å; V117-S121 PolarHBondContact O-OG 3.46Å; E118-S121 PolarHBondContact O-N 2.77Å; Q119-S121 PolarHBondContact O-N 3.47Å; S121-E123 PolarHBondContact O-N 3.23Å; S121-L124 PolarHBondContact O-N 2.9Å; S121-W125 PolarHBondContact O-N 3.39Å |
| 122 | R | 98.8 | Very high | 96.6 | Very high | 31 Ų | 31 | 38.5 Ų | 38.5 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.1 | -47.3 | 174.9 | -175.3 | 174.2 | -69.3 | 110.9 | -1.5 | 111.7 | F23 E24 E118 Q119 V120 L124 W125 R126 | F23-R122 HydrophobicContact CE1-CB 4.19Å; E24-R122 WeakPolarHBondContact OE1-CD 3.37Å; E24-R122 WeakPolarHBondContact OE1-CG 3.45Å; E24-R122 IonicContact OE1-CZ 3.29Å; E24-R122 IonicContact OE1-NE 2.77Å; E24-R122 PolarHBondContact OE1-NE 3.06Å; E24-R122 IonicContact OE1-NH2 3.21Å; E24-R122 IonicContact OE2-CZ 2.92Å; E24-R122 IonicContact OE2-NE 3.5Å; E24-R122 PolarHBondContact OE2-NE 2.91Å; E24-R122 IonicContact OE2-NH2 3.88Å; E24-R122 PolarHBondContact OE2-NH2 3.43Å; E118-R122 WeakPolarHBondContact O-CB 3.31Å; E118-R122 PolarHBondContact O-N 2.85Å; E118-R122 IonicContact OE1-CZ 3.2Å; E118-R122 IonicContact OE1-NH1 3.91Å; E118-R122 PolarHBondContact OE1-NH1 3.17Å; E118-R122 IonicContact OE1-NH2 3.8Å; E118-R122 PolarHBondContact OE1-NH2 3.45Å; Q119-R122 PolarHBondContact O-N 3.43Å; V120-R122 VanDerWaalsContact C-N 3.34Å; V120-R122 PolarHBondContact O-N 2.94Å; R122-L124 PolarHBondContact O-N 2.91Å; R122-W125 PolarHBondContact O-N 2.86Å; R122-R126 WeakPolarHBondContact O-CG 2.96Å; R122-R126 PolarHBondContact O-N 3.26Å |
| 123 | E | 98.8 | Very high | 97.2 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 11% | 0.112 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.1 | -36.8 | 178.9 | -71.5 | -55 | 128.3 | 0 | 0 | 112.8 | Q119 V120 S121 R126 R127 A144 K147 A148 | Q119-E123 WeakPolarHBondContact O-CG 3.44Å; Q119-E123 PolarHBondContact O-N 3.3Å; V120-E123 PolarHBondContact O-N 3.42Å; S121-E123 PolarHBondContact O-N 3.23Å; E123-R126 PolarHBondContact O-N 3.25Å; E123-R127 WeakPolarHBondContact O-CG 3.28Å; E123-R127 PolarHBondContact O-N 3.49Å; E123-A144 HydrophobicContact CB-CB 3.99Å; E123-A144 WeakPolarHBondContact CB-O 3.36Å; E123-K147 HydrophobicContact CG-CB 3.89Å; E123-K147 WeakPolarHBondContact OE2-CD 3.39Å; E123-A148 HydrophobicContact CG-CB 4.13Å |
| 124 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -42.1 | 173.7 | -67.5 | 168.8 | 0 | 0 | 0 | 111.9 | V14 V103 V120 S121 R122 R127 I128 V135 F141 A144 | V14-L124 HydrophobicContact CB-CB 4.33Å; V14-L124 HydrophobicContact CG1-CB 4.02Å; V14-L124 HydrophobicContact CG1-CD1 4.38Å; V14-L124 HydrophobicContact CG2-CB 4.45Å; V103-L124 HydrophobicContact CG2-CD1 3.33Å; V120-L124 HydrophobicContact CG1-CD1 3.9Å; V120-L124 HydrophobicContact CG1-CG 4.34Å; V120-L124 VanDerWaalsContact O-CG 3.29Å; V120-L124 WeakPolarHBondContact O-CG 3.26Å; V120-L124 PolarHBondContact O-N 3.23Å; S121-L124 PolarHBondContact O-N 2.9Å; R122-L124 PolarHBondContact O-N 2.91Å; L124-R127 PolarHBondContact O-N 3.06Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 2.68Å; L124-V135 HydrophobicContact CB-CG2 4.31Å; L124-V135 HydrophobicContact CD2-CG2 3.55Å; L124-V135 HydrophobicContact CG-CG2 4.45Å; L124-F141 HydrophobicContact CD2-CD1 4.04Å; L124-A144 HydrophobicContact CD2-CB 3.67Å; L124-A144 HydrophobicContact CG-CB 4.07Å |
| 125 | W | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.2 | -43 | 172.1 | -85.5 | -57 | 0 | 0 | 0 | 111.9 | Y12 V14 S16 W20 F23 S121 R122 R127 I128 W129 | Y12-W125 AromaticContact CD2-CH2 3.16Å; Y12-W125 HydrophobicContact CD2-CH2 3.16Å; Y12-W125 AromaticContact CD2-CZ2 3.41Å; Y12-W125 HydrophobicContact CD2-CZ2 3.41Å; Y12-W125 VanDerWaalsContact CD2-CZ2 3.41Å; Y12-W125 HydrophobicContact CD2-CZ3 4.17Å; Y12-W125 AromaticContact CE2-CH2 3.56Å; Y12-W125 HydrophobicContact CE2-CH2 3.56Å; Y12-W125 HydrophobicContact CE2-CZ2 4.13Å; Y12-W125 HydrophobicContact CE2-CZ3 4.14Å; Y12-W125 AromaticContact CG-CH2 3.79Å; Y12-W125 HydrophobicContact CG-CH2 3.79Å; Y12-W125 HydrophobicContact CG-CZ2 4.1Å; V14-W125 VanDerWaalsContact CA-NE1 3.35Å; V14-W125 HydrophobicContact CB-CG 4.48Å; V14-W125 HydrophobicContact CG1-CD2 4.29Å; V14-W125 PolarHBondContact O-NE1 3.17Å; S16-W125 PolarHBondContact O-NE1 3.48Å; S16-W125 VanDerWaalsContact O-NE1 3.15Å; W20-W125 HydrophobicContact CB-CB 4.25Å; W20-W125 HydrophobicContact CB-CD2 3.67Å; W20-W125 HydrophobicContact CB-CE3 4.37Å; W20-W125 HydrophobicContact CB-CG 3.61Å; W20-W125 HydrophobicContact CB-CZ2 4.45Å; W20-W125 AromaticContact CD1-CD2 3.74Å; W20-W125 AromaticContact CD1-CE3 3.67Å; W20-W125 AromaticContact CD1-CG 3.89Å; W20-W125 HydrophobicContact CD2-CB 3.6Å; W20-W125 AromaticContact CD2-CG 3.99Å; W20-W125 HydrophobicContact CD2-CG 3.99Å; W20-W125 HydrophobicContact CE3-CB 4.04Å; W20-W125 HydrophobicContact CG-CB 3.67Å; W20-W125 AromaticContact CG-CD1 3.99Å; W20-W125 AromaticContact CG-CD2 3.74Å; W20-W125 HydrophobicContact CG-CD2 3.74Å; W20-W125 HydrophobicContact CG-CE3 4.15Å; W20-W125 AromaticContact CG-CG 3.54Å; W20-W125 HydrophobicContact CG-CG 3.54Å; F23-W125 HydrophobicContact CB-CH2 3.65Å; F23-W125 HydrophobicContact CB-CZ2 4.49Å; F23-W125 HydrophobicContact CB-CZ3 3.78Å; F23-W125 HydrophobicContact CD1-CE3 4.12Å; F23-W125 HydrophobicContact CD1-CH2 4.28Å; F23-W125 AromaticContact CD1-CZ3 3.53Å; F23-W125 HydrophobicContact CD1-CZ3 3.53Å; F23-W125 AromaticContact CD2-CH2 3.73Å; F23-W125 HydrophobicContact CD2-CH2 3.73Å; F23-W125 AromaticContact CD2-CZ3 3.53Å; F23-W125 HydrophobicContact CD2-CZ3 3.53Å; F23-W125 HydrophobicContact CE1-CE3 4.35Å; F23-W125 AromaticContact CE1-CZ3 3.85Å; F23-W125 HydrophobicContact CE1-CZ3 3.85Å; F23-W125 HydrophobicContact CE2-CH2 4.4Å; F23-W125 AromaticContact CE2-CZ3 3.85Å; F23-W125 HydrophobicContact CE2-CZ3 3.85Å; F23-W125 HydrophobicContact CG-CE3 4.31Å; F23-W125 AromaticContact CG-CH2 3.65Å; F23-W125 HydrophobicContact CG-CH2 3.65Å; F23-W125 AromaticContact CG-CZ3 3.33Å; F23-W125 HydrophobicContact CG-CZ3 3.33Å; F23-W125 AromaticContact CZ-CZ3 3.98Å; F23-W125 HydrophobicContact CZ-CZ3 3.98Å; S121-W125 PolarHBondContact O-N 3.39Å; R122-W125 PolarHBondContact O-N 2.86Å; W125-R127 VanDerWaalsContact C-N 3.31Å; W125-R127 PolarHBondContact O-N 3.33Å; W125-I128 PolarHBondContact O-N 3.44Å; W125-W129 AromaticContact CD1-CD1 3.6Å; W125-W129 AromaticContact CD1-NE1 3.95Å; W125-W129 WeakPolarHBondContact O-CA 3.33Å; W125-W129 WeakPolarHBondContact O-CB 3.43Å; W125-W129 PolarHBondContact O-N 2.95Å |
| 126 | R | 98.6 | Very high | 98.1 | Very high | 87 Ų | 87 | 30.8 Ų | 30.8 | 33% | 0.328 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.5 | -42 | 176.2 | -71.8 | -174 | 78.7 | 117.9 | 7.6 | 111.8 | W20 R122 E123 I128 S130 E131 | W20-R126 HydrophobicContact CH2-CG 4.14Å; W20-R126 HydrophobicContact CZ2-CG 3.85Å; R122-R126 WeakPolarHBondContact O-CG 2.96Å; R122-R126 PolarHBondContact O-N 3.26Å; E123-R126 PolarHBondContact O-N 3.25Å; R126-I128 PolarHBondContact O-N 3.27Å; R126-S130 CarbonylContact O-C 3.07Å; R126-S130 WeakPolarHBondContact O-CA 3.43Å; R126-S130 VanDerWaalsContact O-CB 3.23Å; R126-S130 WeakPolarHBondContact O-CB 3.09Å; R126-S130 PolarHBondContact O-N 3.06Å; R126-E131 PolarHBondContact O-N 3.48Å |
| 127 | R | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 3% | 0.03 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -55.6 | -52.5 | 175.9 | -73.9 | -177.2 | 76.2 | 83.8 | -6 | 111.4 | E123 L124 W125 E131 D132 K133 D134 S140 E143 | E123-R127 WeakPolarHBondContact O-CG 3.28Å; E123-R127 PolarHBondContact O-N 3.49Å; L124-R127 PolarHBondContact O-N 3.06Å; W125-R127 VanDerWaalsContact C-N 3.31Å; W125-R127 PolarHBondContact O-N 3.33Å; R127-E131 CarbonylContact O-C 3.6Å; R127-D132 PolarHBondContact O-N 3.31Å; R127-D132 VanDerWaalsContact O-N 3.1Å; R127-K133 HydrophobicContact CB-CB 4.17Å; R127-K133 PolarHBondContact O-N 3.02Å; R127-D134 PolarHBondContact NE-O 3.47Å; R127-S140 PolarHBondContact NE-O 3.08Å; R127-S140 PolarHBondContact NH2-OG 2.86Å; R127-E143 IonicContact CZ-OE2 2.67Å; R127-E143 VanDerWaalsContact NH1-CB 3.34Å; R127-E143 IonicContact NH1-OE2 2.77Å; R127-E143 PolarHBondContact NH1-OE2 3Å; R127-E143 IonicContact NH2-OE2 3.91Å; R127-E143 PolarHBondContact NH2-OE2 2.91Å |
| 128 | I | 97.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -72.6 | -54.9 | -176 | -55.9 | 161.2 | 0 | 0 | 0 | 111.4 | V14 V90 T96 L124 W125 R126 V135 | V14-I128 HydrophobicContact CB-CD1 4.2Å; V14-I128 HydrophobicContact CG2-CD1 4.03Å; V14-I128 WeakPolarHBondContact O-CD1 3.47Å; V90-I128 HydrophobicContact CG1-CG2 3.48Å; V90-I128 VanDerWaalsContact CG1-CG2 3.48Å; V90-I128 HydrophobicContact CG2-CG2 4.47Å; T96-I128 HydrophobicContact CG2-CD1 4.42Å; L124-I128 WeakPolarHBondContact O-CG1 3.34Å; L124-I128 PolarHBondContact O-N 2.68Å; W125-I128 PolarHBondContact O-N 3.44Å; R126-I128 PolarHBondContact O-N 3.27Å; I128-V135 HydrophobicContact CD1-CB 4.06Å; I128-V135 HydrophobicContact CD1-CG1 3.63Å; I128-V135 HydrophobicContact CD1-CG2 4.11Å; I128-V135 HydrophobicContact CG1-CB 3.77Å; I128-V135 HydrophobicContact CG1-CG1 3.6Å; I128-V135 HydrophobicContact CG1-CG2 4.21Å |
| 129 | W | 98.1 | Very high | 98.1 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 1% | 0.011 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -105.1 | 13.4 | -163 | -58 | 100.4 | 0 | 0 | 0 | 113.4 | V14 V15 P17 W20 L81 H82 P84 P87 V90 M91 W125 | V14-W129 PolarHBondContact O-NE1 3.19Å; V15-W129 WeakPolarHBondContact O-CZ2 3.39Å; P17-W129 HydrophobicContact CB-CD2 3.98Å; P17-W129 HydrophobicContact CB-CE3 3.97Å; P17-W129 HydrophobicContact CB-CH2 4.48Å; P17-W129 HydrophobicContact CB-CZ2 4.5Å; P17-W129 HydrophobicContact CB-CZ3 4.21Å; P17-W129 HydrophobicContact CG-CE3 4.42Å; P17-W129 HydrophobicContact CG-CH2 4.12Å; P17-W129 HydrophobicContact CG-CZ2 4.33Å; P17-W129 HydrophobicContact CG-CZ3 4.15Å; W20-W129 HydrophobicContact CE3-CB 3.76Å; W20-W129 HydrophobicContact CE3-CG 4.47Å; W20-W129 HydrophobicContact CZ3-CB 3.63Å; L81-W129 CarbonylContact C-O 3.33Å; L81-W129 WeakPolarHBondContact CA-O 3.43Å; L81-W129 HydrophobicContact CG-CB 4.28Å; H82-W129 CarbonylContact C-O 3.5Å; H82-W129 PolarHBondContact N-O 3.16Å; H82-W129 CarbonylContact O-C 3.51Å; P84-W129 HydrophobicContact CG-CE3 4.45Å; P84-W129 HydrophobicContact CG-CZ3 4.23Å; P87-W129 HydrophobicContact CB-CH2 4.5Å; P87-W129 HydrophobicContact CB-CZ3 4.31Å; V90-W129 HydrophobicContact CG1-CZ2 4.39Å; M91-W129 HydrophobicContact CG-CH2 4.05Å; M91-W129 HydrophobicContact CG-CZ2 4.34Å; M91-W129 HydrophobicContact SD-CH2 4.19Å; W125-W129 AromaticContact CD1-CD1 3.6Å; W125-W129 AromaticContact CD1-NE1 3.95Å; W125-W129 WeakPolarHBondContact O-CA 3.33Å; W125-W129 WeakPolarHBondContact O-CB 3.43Å; W125-W129 PolarHBondContact O-N 2.95Å |
| 130 | S | 97.9 | Very high | 98.1 | Very high | 28 Ų | 28 | 39.1 Ų | 39.1 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -140.7 | -30.9 | 170.4 | -178.3 | 0 | 0 | 0 | 0 | 113.1 | P80 R126 | P80-S130 WeakPolarHBondContact O-CB 3.43Å; P80-S130 PolarHBondContact O-OG 3.38Å; R126-S130 CarbonylContact O-C 3.07Å; R126-S130 WeakPolarHBondContact O-CA 3.43Å; R126-S130 VanDerWaalsContact O-CB 3.23Å; R126-S130 WeakPolarHBondContact O-CB 3.09Å; R126-S130 PolarHBondContact O-N 3.06Å |
| 131 | E | 98.1 | Very high | 98.1 | Very high | 58 Ų | 58 | 39.4 Ų | 39.4 | 27% | 0.271 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -5.9 | -173.8 | -60 | -178.8 | -165.5 | 0 | 0 | 113.4 | R126 R127 K133 K147 | R126-E131 PolarHBondContact O-N 3.48Å; R127-E131 CarbonylContact O-C 3.6Å; E131-K133 VanDerWaalsContact C-N 3.34Å; E131-K133 HydrophobicContact CB-CD 3.98Å; E131-K133 HydrophobicContact CB-CG 4.03Å; E131-K133 PolarHBondContact O-N 3.2Å; E131-K133 WeakPolarHBondContact OE2-CD 3.48Å; E131-K133 WeakPolarHBondContact OE2-CE 3.29Å; E131-K133 IonicContact OE2-NZ 2.89Å; E131-K133 PolarHBondContact OE2-NZ 3.46Å; E131-K147 IonicContact OE1-NZ 3.22Å; E131-K147 PolarHBondContact OE1-NZ 2.89Å; E131-K147 IonicContact OE2-NZ 3.07Å; E131-K147 PolarHBondContact OE2-NZ 2.97Å |
| 132 | D | 97.6 | Very high | 98.1 | Very high | 85 Ų | 85 | 40.5 Ų | 40.5 | 46% | 0.455 | 20% | 0.201 | S | C | . | . | trans | 50.2 | 51.1 | -174.5 | -163.8 | 10 | 0 | 0 | 0 | 112.9 | P84 A85 R127 | P84-D132 HydrophobicContact CB-CB 4.21Å; P84-D132 WeakPolarHBondContact CB-OD1 3.41Å; A85-D132 WeakPolarHBondContact CB-OD2 3.23Å; A85-D132 PolarHBondContact N-OD2 2.7Å; R127-D132 PolarHBondContact O-N 3.31Å; R127-D132 VanDerWaalsContact O-N 3.1Å | ||
| 133 | K | 97.7 | Very high | 98.1 | Very high | 93 Ų | 93 | 43.7 Ų | 43.7 | 40% | 0.404 | 22% | 0.217 | S | C | . | . | trans | -115.9 | 155.4 | -178.2 | -71.7 | -179.4 | -175.4 | 166.5 | 0 | 112.2 | R127 E131 | R127-K133 HydrophobicContact CB-CB 4.17Å; R127-K133 PolarHBondContact O-N 3.02Å; E131-K133 VanDerWaalsContact C-N 3.34Å; E131-K133 HydrophobicContact CB-CD 3.98Å; E131-K133 HydrophobicContact CB-CG 4.03Å; E131-K133 PolarHBondContact O-N 3.2Å; E131-K133 WeakPolarHBondContact OE2-CD 3.48Å; E131-K133 WeakPolarHBondContact OE2-CE 3.29Å; E131-K133 IonicContact OE2-NZ 2.89Å; E131-K133 PolarHBondContact OE2-NZ 3.46Å | ||
| 134 | D | 96.9 | Very high | 98.1 | Very high | 40 Ų | 40 | 42.5 Ų | 42.5 | 21% | 0.214 | 21% | 0.211 | C | C | . | . | trans | -59.4 | 149.4 | 176 | 177.2 | 69.5 | 0 | 0 | 0 | 112.9 | R127 T136 K137 S140 | R127-D134 PolarHBondContact NE-O 3.47Å; D134-T136 VanDerWaalsContact CG-N 3.31Å; D134-T136 WeakPolarHBondContact OD1-CB 3.45Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.43Å; D134-T136 PolarHBondContact OD1-N 3.24Å; D134-T136 VanDerWaalsContact OD1-N 3.13Å; D134-T136 PolarHBondContact OD1-OG1 3.23Å; D134-T136 PolarHBondContact OD2-N 3.11Å; D134-T136 PolarHBondContact OD2-OG1 3.17Å; D134-K137 WeakPolarHBondContact OD2-CG 3.26Å; D134-K137 PolarHBondContact OD2-N 3.41Å; D134-K137 VanDerWaalsContact OD2-N 3.1Å; D134-S140 VanDerWaalsContact O-CB 3.26Å; D134-S140 WeakPolarHBondContact O-CB 3.34Å; D134-S140 PolarHBondContact O-OG 2.85Å; D134-S140 WeakPolarHBondContact OD2-CB 3.41Å; D134-S140 PolarHBondContact OD2-OG 3.42Å | ||
| 135 | V | 96.9 | Very high | 98.1 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.036 | 21% | 0.211 | C | C | . | . | trans | -139.7 | 25.4 | 175 | 75.7 | 0 | 0 | 0 | 0 | 111.2 | T96 A99 L124 I128 F141 | T96-V135 HydrophobicContact CG2-CG1 4.07Å; A99-V135 HydrophobicContact CB-CG2 3.76Å; L124-V135 HydrophobicContact CB-CG2 4.31Å; L124-V135 HydrophobicContact CD2-CG2 3.55Å; L124-V135 HydrophobicContact CG-CG2 4.45Å; I128-V135 HydrophobicContact CD1-CB 4.06Å; I128-V135 HydrophobicContact CD1-CG1 3.63Å; I128-V135 HydrophobicContact CD1-CG2 4.11Å; I128-V135 HydrophobicContact CG1-CB 3.77Å; I128-V135 HydrophobicContact CG1-CG1 3.6Å; I128-V135 HydrophobicContact CG1-CG2 4.21Å; V135-F141 HydrophobicContact CG2-CE1 4.17Å; V135-F141 WeakPolarHBondContact O-CE1 3.49Å; V135-F141 WeakPolarHBondContact O-CZ 3.31Å | ||
| 136 | T | 97.1 | Very high | 98.1 | Very high | 47 Ų | 47 | 47.8 Ų | 47.8 | 29% | 0.288 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -108.9 | -19.2 | -176.5 | 67.3 | 0 | 0 | 0 | 0 | 112.8 | K94 D134 | K94-T136 HydrophobicContact CB-CG2 3.81Å; K94-T136 HydrophobicContact CG-CG2 4.25Å; D134-T136 VanDerWaalsContact CG-N 3.31Å; D134-T136 WeakPolarHBondContact OD1-CB 3.45Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.43Å; D134-T136 PolarHBondContact OD1-N 3.24Å; D134-T136 VanDerWaalsContact OD1-N 3.13Å; D134-T136 PolarHBondContact OD1-OG1 3.23Å; D134-T136 PolarHBondContact OD2-N 3.11Å; D134-T136 PolarHBondContact OD2-OG1 3.17Å |
| 137 | K | 97.8 | Very high | 98.1 | Very high | 117 Ų | 117 | 48.8 Ų | 48.8 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -108.5 | 153.2 | -171.5 | -56.8 | -179.2 | -179 | 179.5 | 0 | 113.7 | D134 E139 S140 F141 | D134-K137 WeakPolarHBondContact OD2-CG 3.26Å; D134-K137 PolarHBondContact OD2-N 3.41Å; D134-K137 VanDerWaalsContact OD2-N 3.1Å; K137-E139 VanDerWaalsContact C-N 3.27Å; K137-E139 VanDerWaalsContact CB-OE2 3.3Å; K137-E139 WeakPolarHBondContact CB-OE2 3.42Å; K137-E139 PolarHBondContact O-N 3.49Å; K137-S140 WeakPolarHBondContact O-CB 3.36Å; K137-S140 PolarHBondContact O-N 3.2Å; K137-S140 VanDerWaalsContact O-N 3.08Å; K137-F141 WeakPolarHBondContact O-CD2 3.5Å; K137-F141 WeakPolarHBondContact O-CG 3.37Å; K137-F141 PolarHBondContact O-N 3.45Å |
| 138 | P | 98.3 | Very high | 98.1 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 43% | 0.429 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -51.8 | -41.6 | 175.2 | -28.3 | 37 | 0 | 0 | 0 | 114 | S140 F141 S142 L159 | P138-S140 VanDerWaalsContact C-N 3.28Å; P138-S140 PolarHBondContact O-N 3.38Å; P138-F141 WeakPolarHBondContact O-CB 3.48Å; P138-F141 PolarHBondContact O-N 2.8Å; P138-F141 VanDerWaalsContact O-N 3.12Å; P138-S142 PolarHBondContact O-N 2.94Å; P138-S142 PolarHBondContact O-OG 3.29Å; P138-L159 HydrophobicContact CB-CD1 4.46Å; P138-L159 HydrophobicContact CB-CD2 3.96Å |
| 139 | E | 98.4 | Very high | 98.1 | Very high | 117 Ų | 117 | 52 Ų | 52 | 55% | 0.547 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.7 | -36.6 | -178.7 | -54.9 | 74.7 | -159.7 | 0 | 0 | 111.1 | K137 F141 S142 E143 | K137-E139 VanDerWaalsContact C-N 3.27Å; K137-E139 VanDerWaalsContact CB-OE2 3.3Å; K137-E139 WeakPolarHBondContact CB-OE2 3.42Å; K137-E139 PolarHBondContact O-N 3.49Å; E139-F141 VanDerWaalsContact C-N 3.33Å; E139-F141 PolarHBondContact O-N 2.73Å; E139-S142 PolarHBondContact O-N 3.15Å; E139-E143 WeakPolarHBondContact O-CG 3.47Å; E139-E143 PolarHBondContact O-N 3.4Å |
| 140 | S | 98.4 | Very high | 98.1 | Very high | 9 Ų | 9 | 52.4 Ų | 52.4 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -38.4 | 174.9 | -66.7 | 0 | 0 | 0 | 0 | 112.3 | R127 D134 K137 P138 A144 | R127-S140 PolarHBondContact NE-O 3.08Å; R127-S140 PolarHBondContact NH2-OG 2.86Å; D134-S140 VanDerWaalsContact O-CB 3.26Å; D134-S140 WeakPolarHBondContact O-CB 3.34Å; D134-S140 PolarHBondContact O-OG 2.85Å; D134-S140 WeakPolarHBondContact OD2-CB 3.41Å; D134-S140 PolarHBondContact OD2-OG 3.42Å; K137-S140 WeakPolarHBondContact O-CB 3.36Å; K137-S140 PolarHBondContact O-N 3.2Å; K137-S140 VanDerWaalsContact O-N 3.08Å; P138-S140 VanDerWaalsContact C-N 3.28Å; P138-S140 PolarHBondContact O-N 3.38Å; S140-A144 PolarHBondContact O-N 3.17Å; S140-A144 VanDerWaalsContact O-N 3.17Å |
| 141 | F | 98.7 | Very high | 98.1 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 3% | 0.026 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.2 | -44.6 | 175.8 | -52.8 | -34.2 | 0 | 0 | 0 | 111.6 | A99 F102 L124 V135 K137 P138 E139 E143 A144 A145 L159 | A99-F141 HydrophobicContact CB-CE1 3.7Å; A99-F141 HydrophobicContact CB-CZ 4.23Å; F102-F141 HydrophobicContact CB-CD2 4.19Å; F102-F141 HydrophobicContact CB-CG 4.21Å; F102-F141 HydrophobicContact CD1-CB 3.84Å; F102-F141 HydrophobicContact CD1-CG 4.22Å; F102-F141 HydrophobicContact CD2-CB 3.95Å; F102-F141 HydrophobicContact CD2-CD2 4.35Å; F102-F141 HydrophobicContact CD2-CG 4.33Å; F102-F141 HydrophobicContact CE1-CB 3.9Å; F102-F141 HydrophobicContact CE2-CB 4Å; F102-F141 HydrophobicContact CG-CB 3.86Å; F102-F141 HydrophobicContact CG-CD2 4.24Å; F102-F141 AromaticContact CG-CG 3.99Å; F102-F141 HydrophobicContact CG-CG 3.99Å; F102-F141 HydrophobicContact CZ-CB 3.98Å; L124-F141 HydrophobicContact CD2-CD1 4.04Å; V135-F141 HydrophobicContact CG2-CE1 4.17Å; V135-F141 WeakPolarHBondContact O-CE1 3.49Å; V135-F141 WeakPolarHBondContact O-CZ 3.31Å; K137-F141 WeakPolarHBondContact O-CD2 3.5Å; K137-F141 WeakPolarHBondContact O-CG 3.37Å; K137-F141 PolarHBondContact O-N 3.45Å; P138-F141 WeakPolarHBondContact O-CB 3.48Å; P138-F141 PolarHBondContact O-N 2.8Å; P138-F141 VanDerWaalsContact O-N 3.12Å; E139-F141 VanDerWaalsContact C-N 3.33Å; E139-F141 PolarHBondContact O-N 2.73Å; F141-E143 PolarHBondContact O-N 3.47Å; F141-A144 PolarHBondContact O-N 3.39Å; F141-A145 VanDerWaalsContact O-CB 3.28Å; F141-A145 WeakPolarHBondContact O-CB 3.37Å; F141-A145 PolarHBondContact O-N 2.71Å; F141-L159 HydrophobicContact CB-CD2 4.08Å; F141-L159 HydrophobicContact CD2-CD2 4.02Å |
| 142 | S | 98.7 | Very high | 98.1 | Very high | 24 Ų | 24 | 55.6 Ų | 55.6 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 175.1 | -63 | 0 | 0 | 0 | 0 | 111.7 | P138 E139 A144 A145 K146 I155 L159 | P138-S142 PolarHBondContact O-N 2.94Å; P138-S142 PolarHBondContact O-OG 3.29Å; E139-S142 PolarHBondContact O-N 3.15Å; S142-A144 PolarHBondContact O-N 3.03Å; S142-A145 PolarHBondContact O-N 3.02Å; S142-K146 WeakPolarHBondContact O-CB 3.46Å; S142-K146 VanDerWaalsContact O-CG 3.28Å; S142-K146 WeakPolarHBondContact O-CG 3.35Å; S142-K146 PolarHBondContact O-N 3.11Å; S142-I155 WeakPolarHBondContact OG-CG2 3.38Å; S142-L159 WeakPolarHBondContact OG-CD1 3.34Å |
| 143 | E | 98.6 | Very high | 98.1 | Very high | 97 Ų | 97 | 57.7 Ų | 57.7 | 45% | 0.453 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 178 | -75.5 | 177.6 | -175.4 | 0 | 0 | 112.5 | R127 E139 F141 K147 | R127-E143 IonicContact CZ-OE2 2.67Å; R127-E143 VanDerWaalsContact NH1-CB 3.34Å; R127-E143 IonicContact NH1-OE2 2.77Å; R127-E143 PolarHBondContact NH1-OE2 3Å; R127-E143 IonicContact NH2-OE2 3.91Å; R127-E143 PolarHBondContact NH2-OE2 2.91Å; E139-E143 WeakPolarHBondContact O-CG 3.47Å; E139-E143 PolarHBondContact O-N 3.4Å; F141-E143 PolarHBondContact O-N 3.47Å; E143-K147 WeakPolarHBondContact O-CG 3.47Å; E143-K147 PolarHBondContact O-N 3.46Å; E143-K147 VanDerWaalsContact O-N 3.16Å |
| 144 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E123 L124 S140 F141 S142 K147 A148 | E123-A144 HydrophobicContact CB-CB 3.99Å; E123-A144 WeakPolarHBondContact CB-O 3.36Å; L124-A144 HydrophobicContact CD2-CB 3.67Å; L124-A144 HydrophobicContact CG-CB 4.07Å; S140-A144 PolarHBondContact O-N 3.17Å; S140-A144 VanDerWaalsContact O-N 3.17Å; F141-A144 PolarHBondContact O-N 3.39Å; S142-A144 PolarHBondContact O-N 3.03Å; A144-K147 PolarHBondContact O-N 3.46Å; A144-A148 WeakPolarHBondContact O-CB 3.38Å; A144-A148 PolarHBondContact O-N 2.77Å |
| 145 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.5 | -38.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F102 V120 F141 S142 A148 G149 L150 I155 | F102-A145 HydrophobicContact CE1-CB 4.04Å; F102-A145 HydrophobicContact CZ-CB 3.84Å; V120-A145 HydrophobicContact CG2-CB 4.47Å; F141-A145 VanDerWaalsContact O-CB 3.28Å; F141-A145 WeakPolarHBondContact O-CB 3.37Å; F141-A145 PolarHBondContact O-N 2.71Å; S142-A145 PolarHBondContact O-N 3.02Å; A145-A148 CarbonylContact O-C 3.52Å; A145-A148 WeakPolarHBondContact O-CA 3.39Å; A145-A148 WeakPolarHBondContact O-CB 3.45Å; A145-A148 PolarHBondContact O-N 3.35Å; A145-G149 PolarHBondContact O-N 2.97Å; A145-G149 VanDerWaalsContact O-N 3.09Å; A145-L150 HydrophobicContact CB-CB 4.31Å; A145-L150 HydrophobicContact CB-CD2 4.16Å; A145-L150 PolarHBondContact O-N 3.41Å; A145-I155 HydrophobicContact CB-CD1 3.89Å; A145-I155 HydrophobicContact CB-CG1 3.67Å |
| 146 | K | 98.6 | Very high | 98.3 | Very high | 111 Ų | 111 | 60.6 Ų | 60.6 | 48% | 0.483 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 172.1 | -73.5 | -178 | -173.8 | -150.3 | 0 | 111.4 | S142 A148 G149 D152 I155 | S142-K146 WeakPolarHBondContact O-CB 3.46Å; S142-K146 VanDerWaalsContact O-CG 3.28Å; S142-K146 WeakPolarHBondContact O-CG 3.35Å; S142-K146 PolarHBondContact O-N 3.11Å; K146-A148 PolarHBondContact O-N 3.47Å; K146-G149 PolarHBondContact O-N 2.76Å; K146-D152 WeakPolarHBondContact CE-OD1 3.4Å; K146-D152 IonicContact NZ-OD1 2.66Å; K146-D152 PolarHBondContact NZ-OD1 3.31Å; K146-I155 HydrophobicContact CB-CD1 4.29Å; K146-I155 HydrophobicContact CD-CD1 4.37Å; K146-I155 HydrophobicContact CG-CD1 3.33Å |
| 147 | K | 98.3 | Very high | 98.4 | Very high | 107 Ų | 107 | 63.9 Ų | 63.9 | 47% | 0.465 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.7 | -34.2 | 174.9 | -75 | -174.7 | 177.2 | -176.7 | 0 | 112.2 | E123 E131 E143 A144 G149 | E123-K147 HydrophobicContact CG-CB 3.89Å; E123-K147 WeakPolarHBondContact OE2-CD 3.39Å; E131-K147 IonicContact OE1-NZ 3.22Å; E131-K147 PolarHBondContact OE1-NZ 2.89Å; E131-K147 IonicContact OE2-NZ 3.07Å; E131-K147 PolarHBondContact OE2-NZ 2.97Å; E143-K147 WeakPolarHBondContact O-CG 3.47Å; E143-K147 PolarHBondContact O-N 3.46Å; E143-K147 VanDerWaalsContact O-N 3.16Å; A144-K147 PolarHBondContact O-N 3.46Å; K147-G149 PolarHBondContact O-N 3.29Å |
| 148 | A | 98.1 | Very high | 98.4 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 15% | 0.149 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -6.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q119 V120 E123 A144 A145 K146 L150 | Q119-A148 HydrophobicContact CB-CB 3.69Å; V120-A148 HydrophobicContact CB-CB 4.41Å; V120-A148 HydrophobicContact CG2-CB 3.71Å; E123-A148 HydrophobicContact CG-CB 4.13Å; A144-A148 WeakPolarHBondContact O-CB 3.38Å; A144-A148 PolarHBondContact O-N 2.77Å; A145-A148 CarbonylContact O-C 3.52Å; A145-A148 WeakPolarHBondContact O-CA 3.39Å; A145-A148 WeakPolarHBondContact O-CB 3.45Å; A145-A148 PolarHBondContact O-N 3.35Å; K146-A148 PolarHBondContact O-N 3.47Å; A148-L150 HydrophobicContact CB-CD1 4.18Å |
| 149 | G | 97.7 | Very high | 98.4 | Very high | 61 Ų | 61 | 57 Ų | 57 | 63% | 0.629 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.7 | 16.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A145 K146 K147 | A145-G149 PolarHBondContact O-N 2.97Å; A145-G149 VanDerWaalsContact O-N 3.09Å; K146-G149 PolarHBondContact O-N 2.76Å; K147-G149 PolarHBondContact O-N 3.29Å |
| 150 | L | 98.1 | Very high | 98.4 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.058 | 31% | 0.305 | C | S | . | . | trans | -74.6 | 141.9 | 170.1 | -78.2 | 67.6 | 0 | 0 | 0 | 110.1 | V106 Q116 V120 A145 A148 E154 I155 | V106-L150 HydrophobicContact CG1-CD2 4.42Å; V106-L150 HydrophobicContact CG2-CD2 4.1Å; Q116-L150 HydrophobicContact CB-CD1 4.3Å; Q116-L150 HydrophobicContact CG-CD1 4.3Å; V120-L150 HydrophobicContact CG2-CD1 3.64Å; V120-L150 HydrophobicContact CG2-CD2 4.26Å; A145-L150 HydrophobicContact CB-CB 4.31Å; A145-L150 HydrophobicContact CB-CD2 4.16Å; A145-L150 PolarHBondContact O-N 3.41Å; A148-L150 HydrophobicContact CB-CD1 4.18Å; L150-E154 HydrophobicContact CB-CB 4.24Å; L150-E154 HydrophobicContact CD2-CB 4.39Å; L150-E154 HydrophobicContact CG-CB 4.42Å; L150-I155 HydrophobicContact CB-CD1 4.2Å; L150-I155 HydrophobicContact CB-CG1 3.76Å | ||
| 151 | S | 98.1 | Very high | 98.4 | Very high | 53 Ų | 53 | 59.4 Ų | 59.4 | 37% | 0.371 | 31% | 0.31 | S | S | . | . | trans | -69.2 | 160 | 170.8 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | D153 E154 I155 | S151-D153 VanDerWaalsContact C-N 3.27Å; S151-D153 PolarHBondContact O-N 3.34Å; S151-E154 WeakPolarHBondContact CB-OE2 3.06Å; S151-E154 PolarHBondContact N-OE2 3.22Å; S151-E154 PolarHBondContact O-N 3.43Å; S151-E154 VanDerWaalsContact OG-CD 3.29Å; S151-E154 VanDerWaalsContact OG-CG 3.23Å; S151-E154 WeakPolarHBondContact OG-CG 3.22Å; S151-E154 PolarHBondContact OG-N 3.45Å; S151-E154 PolarHBondContact OG-OE2 2.97Å; S151-I155 VanDerWaalsContact O-CG1 3.22Å; S151-I155 WeakPolarHBondContact O-CG1 3.37Å; S151-I155 PolarHBondContact O-N 2.93Å | ||
| 152 | D | 98.3 | Very high | 98.4 | Very high | 100 Ų | 100 | 59.7 Ų | 59.7 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.8 | -40.6 | 177.9 | -74.9 | -35.2 | 0 | 0 | 0 | 111.9 | K146 I155 E156 | K146-D152 WeakPolarHBondContact CE-OD1 3.4Å; K146-D152 IonicContact NZ-OD1 2.66Å; K146-D152 PolarHBondContact NZ-OD1 3.31Å; D152-I155 PolarHBondContact O-N 3.48Å; D152-E156 PolarHBondContact O-N 3.41Å |
| 153 | D | 98.3 | Very high | 98.4 | Very high | 129 Ų | 129 | 63 Ų | 63 | 69% | 0.69 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.8 | -41.8 | 177.5 | -64.8 | -5.5 | 0 | 0 | 0 | 112.4 | S151 I155 K157 | S151-D153 VanDerWaalsContact C-N 3.27Å; S151-D153 PolarHBondContact O-N 3.34Å; D153-I155 VanDerWaalsContact C-N 3.31Å; D153-I155 PolarHBondContact O-N 2.82Å; D153-K157 WeakPolarHBondContact O-CB 3.4Å; D153-K157 PolarHBondContact O-N 3.29Å |
| 154 | E | 98.1 | Very high | 98.4 | Very high | 58 Ų | 58 | 60 Ų | 60 | 27% | 0.271 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 175.8 | -73.9 | 167.4 | 127 | 0 | 0 | 111.4 | M109 Q116 L150 S151 A158 | M109-E154 HydrophobicContact CE-CB 4.13Å; M109-E154 HydrophobicContact CE-CG 4.35Å; M109-E154 WeakPolarHBondContact CE-O 3.37Å; Q116-E154 PolarHBondContact NE2-OE1 3.13Å; L150-E154 HydrophobicContact CB-CB 4.24Å; L150-E154 HydrophobicContact CD2-CB 4.39Å; L150-E154 HydrophobicContact CG-CB 4.42Å; S151-E154 WeakPolarHBondContact CB-OE2 3.06Å; S151-E154 PolarHBondContact N-OE2 3.22Å; S151-E154 PolarHBondContact O-N 3.43Å; S151-E154 VanDerWaalsContact OG-CD 3.29Å; S151-E154 VanDerWaalsContact OG-CG 3.23Å; S151-E154 WeakPolarHBondContact OG-CG 3.22Å; S151-E154 PolarHBondContact OG-N 3.45Å; S151-E154 PolarHBondContact OG-OE2 2.97Å; E154-A158 VanDerWaalsContact O-CB 3.26Å; E154-A158 WeakPolarHBondContact O-CB 3.47Å; E154-A158 PolarHBondContact O-N 3.45Å |
| 155 | I | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 65.6 Ų | 65.6 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.7 | -48.4 | 178.9 | -67.6 | 170 | 0 | 0 | 0 | 110.7 | S142 A145 K146 L150 S151 D152 D153 K157 A158 L159 | S142-I155 WeakPolarHBondContact OG-CG2 3.38Å; A145-I155 HydrophobicContact CB-CD1 3.89Å; A145-I155 HydrophobicContact CB-CG1 3.67Å; K146-I155 HydrophobicContact CB-CD1 4.29Å; K146-I155 HydrophobicContact CD-CD1 4.37Å; K146-I155 HydrophobicContact CG-CD1 3.33Å; L150-I155 HydrophobicContact CB-CD1 4.2Å; L150-I155 HydrophobicContact CB-CG1 3.76Å; S151-I155 VanDerWaalsContact O-CG1 3.22Å; S151-I155 WeakPolarHBondContact O-CG1 3.37Å; S151-I155 PolarHBondContact O-N 2.93Å; D152-I155 PolarHBondContact O-N 3.48Å; D153-I155 VanDerWaalsContact C-N 3.31Å; D153-I155 PolarHBondContact O-N 2.82Å; I155-K157 VanDerWaalsContact C-N 3.3Å; I155-K157 PolarHBondContact O-N 2.97Å; I155-A158 PolarHBondContact O-N 2.88Å; I155-L159 HydrophobicContact CG2-CD1 4.14Å; I155-L159 HydrophobicContact CG2-CG 4.43Å; I155-L159 WeakPolarHBondContact O-CB 3.48Å; I155-L159 WeakPolarHBondContact O-CG 3.31Å; I155-L159 PolarHBondContact O-N 2.9Å |
| 156 | E | 98.6 | Very high | 98.4 | Very high | 136 Ų | 136 | 69.9 Ų | 69.9 | 64% | 0.636 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -57.1 | -47.3 | 177.7 | -176.5 | 173.4 | -168.8 | 0 | 0 | 110.6 | D152 A158 L159 E160 | D152-E156 PolarHBondContact O-N 3.41Å; E156-A158 PolarHBondContact O-N 3.47Å; E156-L159 WeakPolarHBondContact O-CB 3.29Å; E156-L159 PolarHBondContact O-N 3.13Å; E156-E160 PolarHBondContact O-N 3.28Å |
| 157 | K | 98.6 | Very high | 98.4 | Very high | 117 Ų | 117 | 64.6 Ų | 64.6 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 177.1 | -173.7 | 174.1 | 177.9 | -179.3 | 0 | 112.8 | M109 D153 I155 L159 E160 L161 | M109-K157 HydrophobicContact CE-CB 4.05Å; M109-K157 HydrophobicContact CE-CD 3.94Å; M109-K157 HydrophobicContact CE-CG 4.07Å; M109-K157 HydrophobicContact SD-CB 4.2Å; M109-K157 HydrophobicContact SD-CD 4.23Å; M109-K157 HydrophobicContact SD-CG 3.9Å; D153-K157 WeakPolarHBondContact O-CB 3.4Å; D153-K157 PolarHBondContact O-N 3.29Å; I155-K157 VanDerWaalsContact C-N 3.3Å; I155-K157 PolarHBondContact O-N 2.97Å; K157-L159 VanDerWaalsContact C-N 3.35Å; K157-E160 PolarHBondContact O-N 2.88Å; K157-L161 HydrophobicContact CG-CD1 3.99Å; K157-L161 WeakPolarHBondContact O-CB 3.39Å; K157-L161 VanDerWaalsContact O-CG 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.47Å; K157-L161 PolarHBondContact O-N 3.1Å |
| 158 | A | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F102 A105 V106 M109 E154 I155 E156 S162 | F102-A158 HydrophobicContact CD2-CB 4.23Å; F102-A158 HydrophobicContact CE2-CB 3.58Å; F102-A158 HydrophobicContact CZ-CB 4.08Å; A105-A158 WeakPolarHBondContact CB-O 3.49Å; V106-A158 HydrophobicContact CG2-CB 4.07Å; M109-A158 HydrophobicContact SD-CB 3.81Å; E154-A158 VanDerWaalsContact O-CB 3.26Å; E154-A158 WeakPolarHBondContact O-CB 3.47Å; E154-A158 PolarHBondContact O-N 3.45Å; I155-A158 PolarHBondContact O-N 2.88Å; E156-A158 PolarHBondContact O-N 3.47Å; A158-S162 VanDerWaalsContact O-CB 3.29Å; A158-S162 WeakPolarHBondContact O-CB 3.36Å; A158-S162 PolarHBondContact O-N 2.82Å |
| 159 | L | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 64.5 Ų | 64.5 | 20% | 0.199 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.6 | -48.3 | 174.8 | -75.5 | 174.6 | 0 | 0 | 0 | 111.5 | F102 P138 F141 S142 I155 E156 K157 S162 | F102-L159 HydrophobicContact CD2-CD2 3.93Å; F102-L159 HydrophobicContact CD2-CG 4.46Å; F102-L159 HydrophobicContact CE2-CD2 3.84Å; F102-L159 HydrophobicContact CE2-CG 3.99Å; P138-L159 HydrophobicContact CB-CD1 4.46Å; P138-L159 HydrophobicContact CB-CD2 3.96Å; F141-L159 HydrophobicContact CB-CD2 4.08Å; F141-L159 HydrophobicContact CD2-CD2 4.02Å; S142-L159 WeakPolarHBondContact OG-CD1 3.34Å; I155-L159 HydrophobicContact CG2-CD1 4.14Å; I155-L159 HydrophobicContact CG2-CG 4.43Å; I155-L159 WeakPolarHBondContact O-CB 3.48Å; I155-L159 WeakPolarHBondContact O-CG 3.31Å; I155-L159 PolarHBondContact O-N 2.9Å; E156-L159 WeakPolarHBondContact O-CB 3.29Å; E156-L159 PolarHBondContact O-N 3.13Å; K157-L159 VanDerWaalsContact C-N 3.35Å; L159-S162 PolarHBondContact O-N 2.97Å; L159-S162 PolarHBondContact O-OG 3.28Å |
| 160 | E | 98.6 | Very high | 98.5 | Very high | 143 Ų | 143 | 64.6 Ų | 64.6 | 67% | 0.668 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -57.2 | -54.4 | 176.5 | -173.6 | -174.5 | 176.7 | 0 | 0 | 110.6 | E156 K157 S162 T163 | E156-E160 PolarHBondContact O-N 3.28Å; K157-E160 PolarHBondContact O-N 2.88Å; E160-S162 VanDerWaalsContact C-N 3.29Å; E160-S162 PolarHBondContact O-N 2.67Å; E160-T163 PolarHBondContact O-N 3.44Å; E160-T163 PolarHBondContact O-OG1 3.4Å |
| 161 | L | 98.7 | Very high | 98.6 | Very high | 34 Ų | 34 | 64.3 Ų | 64.3 | 18% | 0.178 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.7 | -36.4 | -179.5 | -75 | 172.1 | 0 | 0 | 0 | 112.7 | A105 M109 K157 T163 S164 I167 | A105-L161 HydrophobicContact CB-CB 3.94Å; M109-L161 HydrophobicContact CG-CD1 3.64Å; M109-L161 HydrophobicContact SD-CD1 3.77Å; K157-L161 HydrophobicContact CG-CD1 3.99Å; K157-L161 WeakPolarHBondContact O-CB 3.39Å; K157-L161 VanDerWaalsContact O-CG 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.47Å; K157-L161 PolarHBondContact O-N 3.1Å; L161-T163 PolarHBondContact O-N 3.43Å; L161-S164 VanDerWaalsContact O-CB 3.23Å; L161-S164 WeakPolarHBondContact O-CB 3.23Å; L161-S164 PolarHBondContact O-N 3.27Å; L161-S164 PolarHBondContact O-OG 2.89Å; L161-I167 HydrophobicContact CB-CG1 4.09Å; L161-I167 VanDerWaalsContact O-CB 3.31Å; L161-I167 WeakPolarHBondContact O-CB 3.47Å; L161-I167 WeakPolarHBondContact O-CG1 3.49Å |
| 162 | S | 98.6 | Very high | 98.6 | Very high | 12 Ų | 12 | 67.7 Ų | 67.7 | 8% | 0.084 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58 | -22.7 | -178.9 | 77.6 | 0 | 0 | 0 | 0 | 113.7 | R101 A158 L159 E160 | R101-S162 WeakPolarHBondContact CB-O 3.5Å; A158-S162 VanDerWaalsContact O-CB 3.29Å; A158-S162 WeakPolarHBondContact O-CB 3.36Å; A158-S162 PolarHBondContact O-N 2.82Å; L159-S162 PolarHBondContact O-N 2.97Å; L159-S162 PolarHBondContact O-OG 3.28Å; E160-S162 VanDerWaalsContact C-N 3.29Å; E160-S162 PolarHBondContact O-N 2.67Å |
| 163 | T | 98.3 | Very high | 98.6 | Very high | 93 Ų | 93 | 68.5 Ų | 68.5 | 57% | 0.571 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -95.8 | -12.4 | 178.3 | 70.8 | 0 | 0 | 0 | 0 | 113.6 | E160 L161 K168 | E160-T163 PolarHBondContact O-N 3.44Å; E160-T163 PolarHBondContact O-OG1 3.4Å; L161-T163 PolarHBondContact O-N 3.43Å; T163-K168 WeakPolarHBondContact O-CE 3.41Å; T163-K168 PolarHBondContact O-NZ 3.49Å |
| 164 | S | 98.8 | Very high | 98.7 | Very high | 34 Ų | 34 | 63 Ų | 63 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -64.9 | 156.1 | -179.7 | 75.4 | 0 | 0 | 0 | 0 | 112.8 | L161 E166 I167 K168 | L161-S164 VanDerWaalsContact O-CB 3.23Å; L161-S164 WeakPolarHBondContact O-CB 3.23Å; L161-S164 PolarHBondContact O-N 3.27Å; L161-S164 PolarHBondContact O-OG 2.89Å; S164-E166 VanDerWaalsContact C-N 3.3Å; S164-E166 PolarHBondContact O-N 3.42Å; S164-I167 WeakPolarHBondContact OG-CG1 3.49Å; S164-I167 PolarHBondContact OG-N 3.08Å; S164-K168 VanDerWaalsContact O-CG 3.28Å; S164-K168 WeakPolarHBondContact O-CG 3.47Å; S164-K168 PolarHBondContact O-N 3.24Å |
| 165 | Q | 98.6 | Very high | 98.7 | Very high | 117 Ų | 117 | 60.8 Ų | 60.8 | 55% | 0.547 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.1 | -36.3 | 175.2 | -169.8 | 58.4 | 41.4 | 0 | 0 | 111.7 | I167 K168 D169 | Q165-I167 PolarHBondContact O-N 3.36Å; Q165-K168 WeakPolarHBondContact O-CB 3.25Å; Q165-K168 PolarHBondContact O-N 3.12Å; Q165-D169 PolarHBondContact NE2-OD1 3.29Å; Q165-D169 PolarHBondContact NE2-OD2 2.89Å; Q165-D169 WeakPolarHBondContact O-CB 3.37Å; Q165-D169 VanDerWaalsContact O-CG 3.25Å; Q165-D169 PolarHBondContact O-N 2.68Å |
| 166 | E | 98.6 | Very high | 98.7 | Very high | 91 Ų | 91 | 64.5 Ų | 64.5 | 43% | 0.425 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.7 | -48.3 | 179.4 | 179.6 | 175.4 | -176.7 | 0 | 0 | 112 | H108 S164 D169 K170 | H108-E166 IonicContact CE1-OE1 2.72Å; H108-E166 PolarHBondContact CE1-OE1 3.47Å; H108-E166 VanDerWaalsContact CE1-OE1 3.29Å; H108-E166 IonicContact NE2-OE1 3.61Å; H108-E166 IonicContact NE2-OE2 3.75Å; S164-E166 VanDerWaalsContact C-N 3.3Å; S164-E166 PolarHBondContact O-N 3.42Å; E166-D169 PolarHBondContact O-N 3.34Å; E166-K170 HydrophobicContact CG-CD 4.32Å; E166-K170 WeakPolarHBondContact O-CG 3.48Å; E166-K170 PolarHBondContact O-N 2.9Å; E166-K170 WeakPolarHBondContact OE1-CE 3.42Å; E166-K170 IonicContact OE1-NZ 2.72Å; E166-K170 PolarHBondContact OE1-NZ 2.67Å |
| 167 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68.8 | -38.4 | 179.5 | -64.5 | -51.5 | 0 | 0 | 0 | 111.6 | R101 T104 A105 H108 L161 S164 Q165 D169 K170 L171 | R101-I167 HydrophobicContact CB-CG2 4.25Å; R101-I167 VanDerWaalsContact O-CG2 3.22Å; R101-I167 WeakPolarHBondContact O-CG2 3.48Å; T104-I167 HydrophobicContact CG2-CD1 4.49Å; T104-I167 HydrophobicContact CG2-CG2 3.96Å; A105-I167 HydrophobicContact CB-CD1 4.31Å; A105-I167 HydrophobicContact CB-CG1 4.11Å; A105-I167 HydrophobicContact CB-CG2 4.28Å; H108-I167 HydrophobicContact CB-CD1 3.59Å; L161-I167 HydrophobicContact CB-CG1 4.09Å; L161-I167 VanDerWaalsContact O-CB 3.31Å; L161-I167 WeakPolarHBondContact O-CB 3.47Å; L161-I167 WeakPolarHBondContact O-CG1 3.49Å; S164-I167 WeakPolarHBondContact OG-CG1 3.49Å; S164-I167 PolarHBondContact OG-N 3.08Å; Q165-I167 PolarHBondContact O-N 3.36Å; I167-D169 VanDerWaalsContact C-N 3.29Å; I167-D169 PolarHBondContact O-N 2.92Å; I167-K170 HydrophobicContact CD1-CD 4.01Å; I167-K170 PolarHBondContact O-N 3.4Å; I167-L171 PolarHBondContact O-N 2.87Å |
| 168 | K | 98.8 | Very high | 98.7 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 29% | 0.291 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.8 | -45.7 | 173.1 | -72 | 169.4 | -178.8 | 160.7 | 0 | 111.1 | T163 S164 Q165 K172 | T163-K168 WeakPolarHBondContact O-CE 3.41Å; T163-K168 PolarHBondContact O-NZ 3.49Å; S164-K168 VanDerWaalsContact O-CG 3.28Å; S164-K168 WeakPolarHBondContact O-CG 3.47Å; S164-K168 PolarHBondContact O-N 3.24Å; Q165-K168 WeakPolarHBondContact O-CB 3.25Å; Q165-K168 PolarHBondContact O-N 3.12Å; K168-K172 WeakPolarHBondContact O-CB 3.3Å; K168-K172 PolarHBondContact O-N 3.19Å |
| 169 | D | 98.8 | Very high | 98.7 | Very high | 56 Ų | 56 | 58.6 Ų | 58.6 | 30% | 0.299 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.4 | -35.7 | 179.8 | -65.8 | -22.2 | 0 | 0 | 0 | 112.2 | Q165 E166 I167 K172 R173 | Q165-D169 PolarHBondContact NE2-OD1 3.29Å; Q165-D169 PolarHBondContact NE2-OD2 2.89Å; Q165-D169 WeakPolarHBondContact O-CB 3.37Å; Q165-D169 VanDerWaalsContact O-CG 3.25Å; Q165-D169 PolarHBondContact O-N 2.68Å; E166-D169 PolarHBondContact O-N 3.34Å; I167-D169 VanDerWaalsContact C-N 3.29Å; I167-D169 PolarHBondContact O-N 2.92Å; D169-K172 PolarHBondContact O-N 2.98Å; D169-R173 WeakPolarHBondContact O-CB 3.5Å; D169-R173 WeakPolarHBondContact O-CG 3.45Å; D169-R173 PolarHBondContact O-N 3.34Å |
| 170 | K | 98.8 | Very high | 98.7 | Very high | 63 Ų | 63 | 63.4 Ų | 63.4 | 27% | 0.274 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 173.6 | -76.8 | 177.1 | -167.9 | -94.5 | 0 | 111.8 | T104 H108 E166 I167 K172 R173 S174 | T104-K170 HydrophobicContact CG2-CB 3.71Å; H108-K170 HydrophobicContact CB-CD 4.43Å; H108-K170 WeakPolarHBondContact ND1-CE 3.43Å; H108-K170 PolarHBondContact ND1-NZ 3.02Å; E166-K170 HydrophobicContact CG-CD 4.32Å; E166-K170 WeakPolarHBondContact O-CG 3.48Å; E166-K170 PolarHBondContact O-N 2.9Å; E166-K170 WeakPolarHBondContact OE1-CE 3.42Å; E166-K170 IonicContact OE1-NZ 2.72Å; E166-K170 PolarHBondContact OE1-NZ 2.67Å; I167-K170 HydrophobicContact CD1-CD 4.01Å; I167-K170 PolarHBondContact O-N 3.4Å; K170-K172 VanDerWaalsContact C-N 3.32Å; K170-K172 PolarHBondContact O-N 3.27Å; K170-R173 PolarHBondContact O-N 2.91Å; K170-S174 PolarHBondContact O-N 3.41Å |
| 171 | L | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 177.5 | 179.1 | 64.4 | 0 | 0 | 0 | 111.3 | F43 L97 M100 R101 T104 I167 S174 T175 | F43-L171 HydrophobicContact CB-CD2 4.43Å; F43-L171 HydrophobicContact CB-CG 4.47Å; L97-L171 HydrophobicContact CD1-CD2 3.99Å; M100-L171 HydrophobicContact CB-CD1 4.03Å; M100-L171 HydrophobicContact CB-CD2 3.93Å; R101-L171 HydrophobicContact CG-CD2 3.66Å; T104-L171 HydrophobicContact CG2-CB 4.48Å; I167-L171 PolarHBondContact O-N 2.87Å; L171-S174 PolarHBondContact O-N 3.01Å; L171-T175 WeakPolarHBondContact O-CB 3.06Å; L171-T175 PolarHBondContact O-N 2.86Å; L171-T175 PolarHBondContact O-OG1 3.18Å |
| 172 | K | 98.8 | Very high | 98.6 | Very high | 123 Ų | 123 | 60.9 Ų | 60.9 | 54% | 0.535 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.8 | -50.2 | 175.6 | -177.6 | 177.2 | 170.4 | -177.3 | 0 | 111.2 | K168 D169 K170 S174 T175 E176 | K168-K172 WeakPolarHBondContact O-CB 3.3Å; K168-K172 PolarHBondContact O-N 3.19Å; D169-K172 PolarHBondContact O-N 2.98Å; K170-K172 VanDerWaalsContact C-N 3.32Å; K170-K172 PolarHBondContact O-N 3.27Å; K172-S174 PolarHBondContact O-N 3.13Å; K172-T175 WeakPolarHBondContact O-CB 3.5Å; K172-T175 PolarHBondContact O-N 3.24Å; K172-T175 VanDerWaalsContact O-N 3.11Å; K172-E176 WeakPolarHBondContact CE-OE1 3.41Å; K172-E176 IonicContact NZ-OE1 2.83Å; K172-E176 WeakPolarHBondContact O-CG 3.41Å; K172-E176 PolarHBondContact O-N 3.25Å |
| 173 | R | 98.8 | Very high | 98.6 | Very high | 117 Ų | 117 | 60.4 Ų | 60.4 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.9 | -45.6 | 177.2 | -76.3 | -173.8 | -64.7 | -93.8 | -1.6 | 112.6 | D169 K170 T175 E176 E177 | D169-R173 WeakPolarHBondContact O-CB 3.5Å; D169-R173 WeakPolarHBondContact O-CG 3.45Å; D169-R173 PolarHBondContact O-N 3.34Å; K170-R173 PolarHBondContact O-N 2.91Å; R173-T175 PolarHBondContact O-N 3.3Å; R173-E176 PolarHBondContact O-N 2.76Å; R173-E176 VanDerWaalsContact O-N 3.15Å; R173-E177 WeakPolarHBondContact O-CB 2.91Å; R173-E177 WeakPolarHBondContact O-CG 3.02Å; R173-E177 PolarHBondContact O-N 3.14Å |
| 174 | S | 98.8 | Very high | 98.6 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 10% | 0.098 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58 | -39.2 | 175.4 | -179.2 | 0 | 0 | 0 | 0 | 111.9 | F11 P41 K170 L171 K172 A178 | F11-S174 WeakPolarHBondContact CE1-O 3.17Å; P41-S174 VanDerWaalsContact O-CB 3.31Å; P41-S174 WeakPolarHBondContact O-CB 3.45Å; P41-S174 PolarHBondContact O-OG 2.73Å; K170-S174 PolarHBondContact O-N 3.41Å; L171-S174 PolarHBondContact O-N 3.01Å; K172-S174 PolarHBondContact O-N 3.13Å; S174-A178 PolarHBondContact O-N 3.17Å; S174-A178 VanDerWaalsContact O-N 3.08Å |
| 175 | T | 98.8 | Very high | 98.6 | Very high | 12 Ų | 12 | 58.7 Ų | 58.7 | 7% | 0.074 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.8 | -39.1 | 176.9 | -52.2 | 0 | 0 | 0 | 0 | 111.9 | F43 I47 L171 K172 R173 A178 L179 | F43-T175 HydrophobicContact CB-CG2 4.46Å; F43-T175 PolarHBondContact N-OG1 3Å; F43-T175 WeakPolarHBondContact O-CG2 3.39Å; I47-T175 HydrophobicContact CD1-CG2 3.59Å; I47-T175 WeakPolarHBondContact CD1-O 3.44Å; I47-T175 HydrophobicContact CG1-CG2 4.09Å; L171-T175 WeakPolarHBondContact O-CB 3.06Å; L171-T175 PolarHBondContact O-N 2.86Å; L171-T175 PolarHBondContact O-OG1 3.18Å; K172-T175 WeakPolarHBondContact O-CB 3.5Å; K172-T175 PolarHBondContact O-N 3.24Å; K172-T175 VanDerWaalsContact O-N 3.11Å; R173-T175 PolarHBondContact O-N 3.3Å; T175-A178 PolarHBondContact O-N 3.18Å; T175-L179 PolarHBondContact O-N 3.36Å; T175-L179 VanDerWaalsContact O-N 3.14Å |
| 176 | E | 98.8 | Very high | 98.6 | Very high | 83 Ų | 83 | 53.6 Ų | 53.6 | 39% | 0.388 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 174.5 | -71.5 | 170.1 | 170.1 | 0 | 0 | 112.2 | K172 R173 A178 L179 N180 | K172-E176 WeakPolarHBondContact CE-OE1 3.41Å; K172-E176 IonicContact NZ-OE1 2.83Å; K172-E176 WeakPolarHBondContact O-CG 3.41Å; K172-E176 PolarHBondContact O-N 3.25Å; R173-E176 PolarHBondContact O-N 2.76Å; R173-E176 VanDerWaalsContact O-N 3.15Å; E176-A178 VanDerWaalsContact C-N 3.31Å; E176-A178 PolarHBondContact O-N 2.94Å; E176-L179 WeakPolarHBondContact O-CB 3.37Å; E176-L179 PolarHBondContact O-N 2.88Å; E176-N180 VanDerWaalsContact O-CG 3.24Å; E176-N180 PolarHBondContact O-N 3.15Å; E176-N180 PolarHBondContact O-ND2 2.64Å |
| 177 | E | 98.6 | Very high | 98.6 | Very high | 77 Ų | 77 | 49.3 Ų | 49.3 | 36% | 0.36 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 172.6 | -75.6 | 173.3 | -169.8 | 0 | 0 | 111.2 | R40 R173 L179 N180 Y181 | R40-E177 IonicContact NH1-OE2 2.68Å; R173-E177 WeakPolarHBondContact O-CB 2.91Å; R173-E177 WeakPolarHBondContact O-CG 3.02Å; R173-E177 PolarHBondContact O-N 3.14Å; E177-L179 PolarHBondContact O-N 3.18Å; E177-N180 WeakPolarHBondContact O-CB 3.41Å; E177-N180 PolarHBondContact O-N 3.28Å; E177-Y181 VanDerWaalsContact O-CD2 3.27Å; E177-Y181 WeakPolarHBondContact O-CD2 3.48Å; E177-Y181 PolarHBondContact O-N 3.01Å |
| 178 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F11 I47 S174 T175 E176 N180 Y181 G182 A183 F186 M188 | F11-A178 HydrophobicContact CD1-CB 3.59Å; F11-A178 HydrophobicContact CE1-CB 3.85Å; F11-A178 HydrophobicContact CG-CB 4.11Å; I47-A178 HydrophobicContact CD1-CB 3.74Å; S174-A178 PolarHBondContact O-N 3.17Å; S174-A178 VanDerWaalsContact O-N 3.08Å; T175-A178 PolarHBondContact O-N 3.18Å; E176-A178 VanDerWaalsContact C-N 3.31Å; E176-A178 PolarHBondContact O-N 2.94Å; A178-N180 VanDerWaalsContact C-N 3.33Å; A178-N180 PolarHBondContact O-N 2.85Å; A178-Y181 PolarHBondContact O-N 3.27Å; A178-G182 PolarHBondContact O-N 3.41Å; A178-A183 HydrophobicContact CB-CB 3.93Å; A178-A183 WeakPolarHBondContact O-CB 3.48Å; A178-A183 PolarHBondContact O-N 3.29Å; A178-F186 HydrophobicContact CB-CE1 4.19Å; A178-F186 HydrophobicContact CB-CZ 4.2Å; A178-M188 HydrophobicContact CB-CE 3.91Å |
| 179 | L | 98.6 | Very high | 98.6 | Very high | 51 Ų | 51 | 46.2 Ų | 46.2 | 27% | 0.267 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.4 | -38.7 | 174.9 | -73.4 | 168.7 | 0 | 0 | 0 | 112.1 | I47 A51 T175 E176 E177 Y181 G182 | I47-L179 HydrophobicContact CD1-CD2 4.18Å; I47-L179 HydrophobicContact CD1-CG 3.89Å; I47-L179 HydrophobicContact CG2-CD2 4.46Å; A51-L179 HydrophobicContact CB-CD2 4.35Å; T175-L179 PolarHBondContact O-N 3.36Å; T175-L179 VanDerWaalsContact O-N 3.14Å; E176-L179 WeakPolarHBondContact O-CB 3.37Å; E176-L179 PolarHBondContact O-N 2.88Å; E177-L179 PolarHBondContact O-N 3.18Å; L179-Y181 PolarHBondContact O-N 2.99Å; L179-G182 WeakPolarHBondContact O-CA 3.35Å; L179-G182 PolarHBondContact O-N 3.05Å |
| 180 | N | 98.3 | Very high | 98.6 | Very high | 140 Ų | 140 | 43.6 Ų | 43.6 | 75% | 0.749 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -64.7 | -30 | 175.9 | -68.2 | -27.5 | 0 | 0 | 0 | 112.3 | E176 E177 A178 G182 | E176-N180 VanDerWaalsContact O-CG 3.24Å; E176-N180 PolarHBondContact O-N 3.15Å; E176-N180 PolarHBondContact O-ND2 2.64Å; E177-N180 WeakPolarHBondContact O-CB 3.41Å; E177-N180 PolarHBondContact O-N 3.28Å; A178-N180 VanDerWaalsContact C-N 3.33Å; A178-N180 PolarHBondContact O-N 2.85Å; N180-G182 PolarHBondContact O-N 2.88Å |
| 181 | Y | 98.3 | Very high | 98.5 | Very high | 79 Ų | 79 | 40.7 Ų | 40.7 | 31% | 0.31 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 0.2 | 168.8 | -72.5 | -55.8 | 0 | 0 | 0 | 114.1 | F11 E177 A178 L179 I190 P197 | F11-Y181 HydrophobicContact CE2-CD2 4.11Å; F11-Y181 HydrophobicContact CE2-CE2 4.25Å; F11-Y181 HydrophobicContact CZ-CD2 4.08Å; F11-Y181 HydrophobicContact CZ-CE2 4.11Å; E177-Y181 VanDerWaalsContact O-CD2 3.27Å; E177-Y181 WeakPolarHBondContact O-CD2 3.48Å; E177-Y181 PolarHBondContact O-N 3.01Å; A178-Y181 PolarHBondContact O-N 3.27Å; L179-Y181 PolarHBondContact O-N 2.99Å; Y181-I190 HydrophobicContact CD1-CD1 4.21Å; Y181-I190 HydrophobicContact CD1-CG1 4.49Å; Y181-I190 HydrophobicContact CD2-CD1 4.23Å; Y181-I190 HydrophobicContact CD2-CG1 3.95Å; Y181-I190 HydrophobicContact CE1-CG2 4.31Å; Y181-I190 HydrophobicContact CE2-CG1 4.22Å; Y181-I190 HydrophobicContact CG-CD1 3.87Å; Y181-I190 HydrophobicContact CG-CG1 4.08Å; Y181-P197 HydrophobicContact CD1-CB 4.2Å; Y181-P197 HydrophobicContact CD1-CG 4.42Å; Y181-P197 HydrophobicContact CE1-CB 3.7Å; Y181-P197 HydrophobicContact CE1-CG 3.96Å |
| 182 | G | 98 | Very high | 98.4 | Very high | 45 Ų | 45 | 43 Ų | 43 | 46% | 0.464 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 22.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A178 L179 N180 F184 | A178-G182 PolarHBondContact O-N 3.41Å; L179-G182 WeakPolarHBondContact O-CA 3.35Å; L179-G182 PolarHBondContact O-N 3.05Å; N180-G182 PolarHBondContact O-N 2.88Å; G182-F184 PolarHBondContact O-N 2.91Å |
| 183 | A | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | trans | -58.4 | 130.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I47 A178 F186 M188 | I47-A183 HydrophobicContact CD1-CB 4.17Å; I47-A183 HydrophobicContact CG2-CB 3.96Å; A178-A183 HydrophobicContact CB-CB 3.93Å; A178-A183 WeakPolarHBondContact O-CB 3.48Å; A178-A183 PolarHBondContact O-N 3.29Å; A183-F186 HydrophobicContact CB-CE1 4.43Å; A183-M188 HydrophobicContact CB-CE 3.95Å; A183-M188 HydrophobicContact CB-SD 3.63Å | ||
| 184 | F | 98.2 | Very high | 97.7 | Very high | 88 Ų | 88 | 40.1 Ų | 40.1 | 39% | 0.386 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -119.7 | 3.4 | 170.9 | 54.7 | -95.8 | 0 | 0 | 0 | 112.4 | A51 N53 G182 M199 F201 | A51-F184 HydrophobicContact CB-CB 4.11Å; N53-F184 PolarHBondContact ND2-O 3.03Å; G182-F184 PolarHBondContact O-N 2.91Å; F184-M199 HydrophobicContact CD1-CE 4.33Å; F184-M199 HydrophobicContact CE1-CE 3.91Å; F184-F201 HydrophobicContact CD2-CD2 4.31Å; F184-F201 HydrophobicContact CD2-CE2 4.24Å; F184-F201 HydrophobicContact CD2-CZ 4.39Å; F184-F201 HydrophobicContact CE1-CB 4.32Å; F184-F201 HydrophobicContact CE1-CG 4.39Å; F184-F201 HydrophobicContact CE2-CB 4.28Å; F184-F201 AromaticContact CE2-CD1 3.5Å; F184-F201 HydrophobicContact CE2-CD1 3.5Å; F184-F201 VanDerWaalsContact CE2-CD1 3.5Å; F184-F201 AromaticContact CE2-CD2 3.69Å; F184-F201 HydrophobicContact CE2-CD2 3.69Å; F184-F201 AromaticContact CE2-CE1 3.64Å; F184-F201 HydrophobicContact CE2-CE1 3.64Å; F184-F201 AromaticContact CE2-CE2 3.82Å; F184-F201 HydrophobicContact CE2-CE2 3.82Å; F184-F201 AromaticContact CE2-CG 3.52Å; F184-F201 HydrophobicContact CE2-CG 3.52Å; F184-F201 AromaticContact CE2-CZ 3.79Å; F184-F201 HydrophobicContact CE2-CZ 3.79Å; F184-F201 HydrophobicContact CZ-CB 3.67Å; F184-F201 AromaticContact CZ-CD1 3.61Å; F184-F201 HydrophobicContact CZ-CD1 3.61Å; F184-F201 AromaticContact CZ-CD2 3.93Å; F184-F201 HydrophobicContact CZ-CD2 3.93Å; F184-F201 HydrophobicContact CZ-CE1 4.24Å; F184-F201 AromaticContact CZ-CG 3.43Å; F184-F201 HydrophobicContact CZ-CG 3.43Å; F184-F201 VanDerWaalsContact CZ-CG 3.43Å |
| 185 | G | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | S | Bend | trans | 172.2 | -176.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 186 | F | 98.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -128.6 | 152.8 | 178.8 | -68.2 | -34.9 | 0 | 0 | 0 | 113.6 | F11 D13 S16 S19 A42 L44 I47 A178 A183 M188 | F11-F186 HydrophobicContact CB-CD1 4.03Å; F11-F186 HydrophobicContact CB-CE1 3.48Å; F11-F186 VanDerWaalsContact CB-CE1 3.48Å; F11-F186 HydrophobicContact CB-CZ 4.03Å; F11-F186 HydrophobicContact CG-CE1 4.49Å; D13-F186 HydrophobicContact CB-CD2 4.02Å; S16-F186 PolarHBondContact OG-O 3.27Å; S19-F186 WeakPolarHBondContact OG-CB 3.48Å; A42-F186 HydrophobicContact CB-CE2 3.62Å; A42-F186 HydrophobicContact CB-CZ 3.42Å; A42-F186 VanDerWaalsContact CB-CZ 3.42Å; L44-F186 HydrophobicContact CB-CD2 3.98Å; L44-F186 HydrophobicContact CB-CE2 4.45Å; L44-F186 HydrophobicContact CD1-CB 4.02Å; L44-F186 HydrophobicContact CD1-CD2 3.76Å; L44-F186 HydrophobicContact CD1-CG 4.03Å; L44-F186 HydrophobicContact CG-CD2 4.45Å; I47-F186 HydrophobicContact CD1-CE1 4.3Å; I47-F186 HydrophobicContact CD1-CE2 4.46Å; I47-F186 HydrophobicContact CD1-CZ 3.76Å; I47-F186 HydrophobicContact CG1-CD2 4.43Å; I47-F186 HydrophobicContact CG1-CE1 3.96Å; I47-F186 HydrophobicContact CG1-CE2 3.61Å; I47-F186 HydrophobicContact CG1-CZ 3.33Å; A178-F186 HydrophobicContact CB-CE1 4.19Å; A178-F186 HydrophobicContact CB-CZ 4.2Å; A183-F186 HydrophobicContact CB-CE1 4.43Å; F186-M188 HydrophobicContact CD1-CB 4.17Å; F186-M188 HydrophobicContact CE1-CB 4.48Å |
| 187 | P | 98.7 | Very high | 96.8 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | cis | -76 | 153.7 | 2.9 | 30.4 | -32.1 | 0 | 0 | 0 | 112.7 | L10 S19 F201 G202 | L10-P187 HydrophobicContact CD1-CB 3.87Å; S19-P187 WeakPolarHBondContact OG-CA 3.4Å; S19-P187 VanDerWaalsContact OG-N 3.14Å; P187-F201 WeakPolarHBondContact O-CD2 3.33Å; P187-G202 PolarHBondContact O-N 3.1Å | ||
| 188 | M | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 132.2 | 168.3 | 176.4 | -177.9 | 76.9 | 0 | 0 | 108.5 | F11 A178 A183 F186 I190 M199 F200 | F11-M188 HydrophobicContact CB-CB 4.39Å; F11-M188 HydrophobicContact CB-CE 4.18Å; F11-M188 HydrophobicContact CD2-CE 3.45Å; F11-M188 VanDerWaalsContact CD2-CE 3.45Å; F11-M188 HydrophobicContact CE2-CE 3.9Å; F11-M188 HydrophobicContact CG-CE 3.82Å; F11-M188 PolarHBondContact N-O 2.78Å; F11-M188 PolarHBondContact O-N 3.04Å; F11-M188 VanDerWaalsContact O-N 3.16Å; A178-M188 HydrophobicContact CB-CE 3.91Å; A183-M188 HydrophobicContact CB-CE 3.95Å; A183-M188 HydrophobicContact CB-SD 3.63Å; F186-M188 HydrophobicContact CD1-CB 4.17Å; F186-M188 HydrophobicContact CE1-CB 4.48Å; M188-I190 HydrophobicContact CE-CD1 3.95Å; M188-I190 HydrophobicContact CE-CG1 4.13Å; M188-I190 HydrophobicContact CG-CD1 4.18Å; M188-I190 HydrophobicContact SD-CD1 4.02Å; M188-M199 HydrophobicContact CG-CE 3.71Å; M188-M199 HydrophobicContact CG-CG 3.79Å; M188-M199 HydrophobicContact CG-SD 4.47Å; M188-M199 HydrophobicContact SD-CE 3.43Å; M188-M199 WeakPolarHBondContact SD-CE 3.48Å; M188-M199 HydrophobicContact SD-CG 3.64Å; M188-M199 HydrophobicContact SD-SD 4.39Å; M188-F200 CarbonylContact C-O 3.54Å; M188-F200 WeakPolarHBondContact CA-O 3.45Å |
| 189 | L | 98.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 137.4 | 172.8 | -63.3 | 94.9 | 0 | 0 | 0 | 109.9 | V8 E9 L10 I26 M199 F200 F206 M209 | V8-L189 HydrophobicContact CG1-CD2 4.16Å; E9-L189 CarbonylContact O-C 3.48Å; E9-L189 WeakPolarHBondContact O-CA 3.26Å; L10-L189 HydrophobicContact CD1-CD1 4.12Å; L10-L189 HydrophobicContact CD1-CD2 4.38Å; L10-L189 HydrophobicContact CD1-CG 3.86Å; I26-L189 HydrophobicContact CB-CD2 4.39Å; I26-L189 HydrophobicContact CD1-CD2 4.47Å; I26-L189 HydrophobicContact CG1-CD2 4.19Å; L189-M199 WeakPolarHBondContact O-CA 3.28Å; L189-F200 HydrophobicContact CB-CB 4.47Å; L189-F200 PolarHBondContact N-O 2.67Å; L189-F200 PolarHBondContact O-N 3.49Å; L189-F206 HydrophobicContact CD1-CZ 4.43Å; L189-F206 HydrophobicContact CD2-CE1 3.89Å; L189-F206 HydrophobicContact CD2-CZ 4.39Å; L189-M209 HydrophobicContact CB-SD 4.03Å; L189-M209 HydrophobicContact CD2-CE 3.98Å; L189-M209 HydrophobicContact CD2-SD 3.78Å; L189-M209 HydrophobicContact CG-SD 4.43Å |
| 190 | I | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 118.4 | 170.8 | -54.4 | -59.7 | 0 | 0 | 0 | 108.3 | V8 E9 F11 Y181 M188 P197 E198 M199 | V8-I190 CarbonylContact C-O 3.48Å; V8-I190 WeakPolarHBondContact CA-O 3.42Å; E9-I190 HydrophobicContact CB-CB 4.27Å; E9-I190 PolarHBondContact N-O 3.33Å; E9-I190 PolarHBondContact O-N 2.9Å; F11-I190 HydrophobicContact CD2-CG1 4.26Å; F11-I190 HydrophobicContact CE2-CG1 3.88Å; Y181-I190 HydrophobicContact CD1-CD1 4.21Å; Y181-I190 HydrophobicContact CD1-CG1 4.49Å; Y181-I190 HydrophobicContact CD2-CD1 4.23Å; Y181-I190 HydrophobicContact CD2-CG1 3.95Å; Y181-I190 HydrophobicContact CE1-CG2 4.31Å; Y181-I190 HydrophobicContact CE2-CG1 4.22Å; Y181-I190 HydrophobicContact CG-CD1 3.87Å; Y181-I190 HydrophobicContact CG-CG1 4.08Å; M188-I190 HydrophobicContact CE-CD1 3.95Å; M188-I190 HydrophobicContact CE-CG1 4.13Å; M188-I190 HydrophobicContact CG-CD1 4.18Å; M188-I190 HydrophobicContact SD-CD1 4.02Å; I190-P197 HydrophobicContact CG2-CB 3.6Å; I190-E198 WeakPolarHBondContact CA-O 3.48Å; I190-M199 HydrophobicContact CD1-CB 3.68Å; I190-M199 HydrophobicContact CD1-CG 3.69Å |
| 191 | C | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.3 | 172.3 | -67.4 | 0 | 0 | 0 | 0 | 109.6 | V193 E198 F200 M209 I213 | C191-V193 HydrophobicContact CB-CG2 4.24Å; C191-V193 PolarHBondContact O-N 3.13Å; C191-E198 HydrophobicContact CB-CB 4.43Å; C191-E198 PolarHBondContact N-O 3.23Å; C191-E198 PolarHBondContact O-N 3.28Å; C191-F200 HydrophobicContact CB-CE2 4.31Å; C191-M209 WeakPolarHBondContact SG-CG 3.43Å; C191-M209 PolarHBondContact SG-SD 2.92Å; C191-I213 HydrophobicContact CB-CG2 3.83Å |
| 192 | H | 96.7 | Very high | 96.8 | Very high | 53 Ų | 53 | 43.9 Ų | 43.9 | 25% | 0.245 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 101.6 | 175.1 | -66.4 | -90.8 | 0 | 0 | 0 | 109.8 | V7 E9 K196 | V7-H192 HydrophobicContact CB-CB 4.24Å; V7-H192 PolarHBondContact O-N 3.03Å; E9-H192 IonicContact OE2-CD2 2.96Å; E9-H192 IonicContact OE2-CE1 3Å; E9-H192 IonicContact OE2-NE2 3.46Å; E9-H192 PolarHBondContact OE2-NE2 3.48Å; H192-K196 WeakPolarHBondContact CA-O 3.08Å |
| 193 | V | 93.5 | Very high | 96.8 | Very high | 21 Ų | 21 | 41.9 Ų | 41.9 | 13% | 0.127 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.5 | -178.2 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | C191 G195 K196 I213 | C191-V193 HydrophobicContact CB-CG2 4.24Å; C191-V193 PolarHBondContact O-N 3.13Å; V193-G195 PolarHBondContact O-N 2.61Å; V193-G195 VanDerWaalsContact O-N 3.08Å; V193-K196 PolarHBondContact N-O 2.95Å; V193-K196 PolarHBondContact O-N 3.16Å; V193-I213 HydrophobicContact CG2-CG2 3.87Å |
| 194 | D | 89.6 | Confident | 96.8 | Very high | 160 Ų | 160 | 46.2 Ų | 46.2 | 86% | 0.856 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 36.9 | 179.9 | -56.8 | -31.8 | 0 | 0 | 0 | 114.1 | K196 | D194-K196 VanDerWaalsContact C-N 3.32Å; D194-K196 PolarHBondContact O-N 2.97Å |
| 195 | G | 86.8 | Confident | 96.8 | Very high | 78 Ų | 78 | 46.4 Ų | 46.4 | 80% | 0.804 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | 9.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | V193 | V193-G195 PolarHBondContact O-N 2.61Å; V193-G195 VanDerWaalsContact O-N 3.08Å |
| 196 | K | 93.3 | Very high | 96.8 | Very high | 138 Ų | 138 | 46.5 Ų | 46.5 | 60% | 0.6 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 140.5 | 178.4 | -62.7 | -178.8 | -176.6 | 176.3 | 0 | 111.7 | H192 V193 D194 | H192-K196 WeakPolarHBondContact CA-O 3.08Å; V193-K196 PolarHBondContact N-O 2.95Å; V193-K196 PolarHBondContact O-N 3.16Å; D194-K196 VanDerWaalsContact C-N 3.32Å; D194-K196 PolarHBondContact O-N 2.97Å |
| 197 | P | 97 | Very high | 96.8 | Very high | 65 Ų | 65 | 52.2 Ų | 52.2 | 42% | 0.422 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 124.3 | 173 | 31.8 | -32.3 | 0 | 0 | 0 | 110.8 | Y181 I190 | Y181-P197 HydrophobicContact CD1-CB 4.2Å; Y181-P197 HydrophobicContact CD1-CG 4.42Å; Y181-P197 HydrophobicContact CE1-CB 3.7Å; Y181-P197 HydrophobicContact CE1-CG 3.96Å; I190-P197 HydrophobicContact CG2-CB 3.6Å |
| 198 | E | 97.9 | Very high | 96.8 | Very high | 88 Ų | 88 | 57.1 Ų | 57.1 | 41% | 0.411 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.7 | 172.3 | -66.1 | -64.1 | 157.9 | 0 | 0 | 109.4 | I190 C191 F200 | I190-E198 WeakPolarHBondContact CA-O 3.48Å; C191-E198 HydrophobicContact CB-CB 4.43Å; C191-E198 PolarHBondContact N-O 3.23Å; C191-E198 PolarHBondContact O-N 3.28Å; E198-F200 HydrophobicContact CB-CE2 3.99Å |
| 199 | M | 98.3 | Very high | 96.8 | Very high | 60 Ų | 60 | 57.2 Ų | 57.2 | 30% | 0.296 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.2 | -172.7 | -177.8 | -97.4 | -169.4 | 0 | 0 | 111.9 | F184 M188 L189 I190 F201 | F184-M199 HydrophobicContact CD1-CE 4.33Å; F184-M199 HydrophobicContact CE1-CE 3.91Å; M188-M199 HydrophobicContact CG-CE 3.71Å; M188-M199 HydrophobicContact CG-CG 3.79Å; M188-M199 HydrophobicContact CG-SD 4.47Å; M188-M199 HydrophobicContact SD-CE 3.43Å; M188-M199 WeakPolarHBondContact SD-CE 3.48Å; M188-M199 HydrophobicContact SD-CG 3.64Å; M188-M199 HydrophobicContact SD-SD 4.39Å; L189-M199 WeakPolarHBondContact O-CA 3.28Å; I190-M199 HydrophobicContact CD1-CB 3.68Å; I190-M199 HydrophobicContact CD1-CG 3.69Å; M199-F201 HydrophobicContact CE-CB 4.02Å |
| 200 | F | 98.7 | Very high | 96.7 | Very high | 28 Ų | 28 | 57.1 Ų | 57.1 | 12% | 0.123 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 122 | 175.3 | -62.5 | -88.7 | 0 | 0 | 0 | 110 | M188 L189 C191 E198 R205 L208 M209 C212 | M188-F200 CarbonylContact C-O 3.54Å; M188-F200 WeakPolarHBondContact CA-O 3.45Å; L189-F200 HydrophobicContact CB-CB 4.47Å; L189-F200 PolarHBondContact N-O 2.67Å; L189-F200 PolarHBondContact O-N 3.49Å; C191-F200 HydrophobicContact CB-CE2 4.31Å; E198-F200 HydrophobicContact CB-CE2 3.99Å; F200-R205 HydrophobicContact CB-CB 4.06Å; F200-R205 HydrophobicContact CD1-CB 4.03Å; F200-R205 HydrophobicContact CG-CB 4.46Å; F200-L208 HydrophobicContact CE1-CB 4.18Å; F200-M209 HydrophobicContact CD1-CB 4.39Å; F200-M209 HydrophobicContact CD2-CB 4.34Å; F200-M209 HydrophobicContact CD2-CG 3.94Å; F200-M209 HydrophobicContact CD2-SD 4.32Å; F200-M209 HydrophobicContact CE1-CB 4.38Å; F200-M209 HydrophobicContact CE2-CB 4.33Å; F200-M209 HydrophobicContact CE2-CG 3.96Å; F200-M209 HydrophobicContact CG-CB 4.38Å; F200-M209 HydrophobicContact CG-CG 4.4Å; F200-M209 HydrophobicContact CZ-CB 4.36Å; F200-M209 HydrophobicContact CZ-CG 4.44Å; F200-C212 HydrophobicContact CE2-CB 4.35Å; F200-C212 HydrophobicContact CZ-CB 3.69Å |
| 201 | F | 98.8 | Very high | 96.7 | Very high | 72 Ų | 72 | 63.4 Ų | 63.4 | 32% | 0.316 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 136.6 | 176.3 | 170.1 | -98.2 | 0 | 0 | 0 | 111.5 | F184 P187 M199 R205 | F184-F201 HydrophobicContact CD2-CD2 4.31Å; F184-F201 HydrophobicContact CD2-CE2 4.24Å; F184-F201 HydrophobicContact CD2-CZ 4.39Å; F184-F201 HydrophobicContact CE1-CB 4.32Å; F184-F201 HydrophobicContact CE1-CG 4.39Å; F184-F201 HydrophobicContact CE2-CB 4.28Å; F184-F201 AromaticContact CE2-CD1 3.5Å; F184-F201 HydrophobicContact CE2-CD1 3.5Å; F184-F201 VanDerWaalsContact CE2-CD1 3.5Å; F184-F201 AromaticContact CE2-CD2 3.69Å; F184-F201 HydrophobicContact CE2-CD2 3.69Å; F184-F201 AromaticContact CE2-CE1 3.64Å; F184-F201 HydrophobicContact CE2-CE1 3.64Å; F184-F201 AromaticContact CE2-CE2 3.82Å; F184-F201 HydrophobicContact CE2-CE2 3.82Å; F184-F201 AromaticContact CE2-CG 3.52Å; F184-F201 HydrophobicContact CE2-CG 3.52Å; F184-F201 AromaticContact CE2-CZ 3.79Å; F184-F201 HydrophobicContact CE2-CZ 3.79Å; F184-F201 HydrophobicContact CZ-CB 3.67Å; F184-F201 AromaticContact CZ-CD1 3.61Å; F184-F201 HydrophobicContact CZ-CD1 3.61Å; F184-F201 AromaticContact CZ-CD2 3.93Å; F184-F201 HydrophobicContact CZ-CD2 3.93Å; F184-F201 HydrophobicContact CZ-CE1 4.24Å; F184-F201 AromaticContact CZ-CG 3.43Å; F184-F201 HydrophobicContact CZ-CG 3.43Å; F184-F201 VanDerWaalsContact CZ-CG 3.43Å; P187-F201 WeakPolarHBondContact O-CD2 3.33Å; M199-F201 HydrophobicContact CE-CB 4.02Å; F201-R205 WeakPolarHBondContact O-CG 3.46Å |
| 202 | G | 98.3 | Very high | 96.7 | Very high | 6 Ų | 6 | 65.4 Ų | 65.4 | 6% | 0.062 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 97.4 | 171 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | P187 D204 | P187-G202 PolarHBondContact O-N 3.1Å; G202-D204 VanDerWaalsContact C-N 3.29Å |
| 203 | S | 98.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -91.5 | 12.7 | 178.4 | 61.3 | 0 | 0 | 0 | 0 | 113.4 | Y18 F77 F206 | Y18-S203 WeakPolarHBondContact O-CB 3.3Å; F77-S203 WeakPolarHBondContact CZ-O 3.5Å; S203-F206 WeakPolarHBondContact O-CD2 3.49Å; S203-F206 WeakPolarHBondContact O-CE2 3.37Å |
| 204 | D | 98.2 | Very high | 96.7 | Very high | 92 Ų | 92 | 65.2 Ų | 65.2 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -127.6 | 20.3 | -166.5 | 62.8 | -19.7 | 0 | 0 | 0 | 111.8 | G202 | G202-D204 VanDerWaalsContact C-N 3.29Š|
| 205 | R | 98.6 | Very high | 97.1 | Very high | 92 Ų | 92 | 60 Ų | 60 | 35% | 0.347 | 34% | 0.335 | S | S | . | . | trans | -114.8 | 3.6 | -179.8 | -61.4 | -64.6 | 172.6 | -88 | -14.9 | 114.3 | F200 F201 E207 L208 M209 | F200-R205 HydrophobicContact CB-CB 4.06Å; F200-R205 HydrophobicContact CD1-CB 4.03Å; F200-R205 HydrophobicContact CG-CB 4.46Å; F201-R205 WeakPolarHBondContact O-CG 3.46Å; R205-E207 VanDerWaalsContact C-N 3.3Å; R205-E207 PolarHBondContact O-N 2.93Å; R205-L208 PolarHBondContact O-N 2.94Å; R205-L208 VanDerWaalsContact O-N 3.15Å; R205-M209 WeakPolarHBondContact O-CB 3.48Å; R205-M209 PolarHBondContact O-N 3.26Å | ||
| 206 | F | 98.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 63 Ų | 63 | 2% | 0.022 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.3 | -33.6 | -174.4 | -68.8 | -76 | 0 | 0 | 0 | 114.6 | G22 I25 I26 W33 L189 S203 M209 A210 W217 | G22-F206 VanDerWaalsContact O-CZ 3.26Å; G22-F206 WeakPolarHBondContact O-CZ 3.29Å; I25-F206 HydrophobicContact CB-CD2 4.11Å; I25-F206 HydrophobicContact CB-CE1 4.2Å; I25-F206 HydrophobicContact CB-CE2 3.74Å; I25-F206 HydrophobicContact CB-CG 4.49Å; I25-F206 HydrophobicContact CB-CZ 3.81Å; I25-F206 HydrophobicContact CD1-CD2 3.7Å; I25-F206 HydrophobicContact CD1-CE2 3.59Å; I25-F206 HydrophobicContact CD1-CZ 4.49Å; I25-F206 HydrophobicContact CG1-CE2 4.26Å; I25-F206 HydrophobicContact CG2-CB 4.36Å; I25-F206 HydrophobicContact CG2-CD1 3.67Å; I25-F206 HydrophobicContact CG2-CD2 3.65Å; I25-F206 HydrophobicContact CG2-CE1 3.83Å; I25-F206 HydrophobicContact CG2-CE2 3.77Å; I25-F206 HydrophobicContact CG2-CG 3.6Å; I25-F206 HydrophobicContact CG2-CZ 3.88Å; I26-F206 HydrophobicContact CB-CE1 3.98Å; I26-F206 HydrophobicContact CD1-CE1 4.29Å; W33-F206 HydrophobicContact CH2-CB 4.48Å; W33-F206 HydrophobicContact CH2-CD1 4.49Å; L189-F206 HydrophobicContact CD1-CZ 4.43Å; L189-F206 HydrophobicContact CD2-CE1 3.89Å; L189-F206 HydrophobicContact CD2-CZ 4.39Å; S203-F206 WeakPolarHBondContact O-CD2 3.49Å; S203-F206 WeakPolarHBondContact O-CE2 3.37Å; F206-M209 HydrophobicContact CD1-CE 3.6Å; F206-M209 HydrophobicContact CE1-CE 3.94Å; F206-M209 PolarHBondContact O-N 3.12Å; F206-A210 WeakPolarHBondContact O-CB 3.49Å; F206-A210 PolarHBondContact O-N 3.25Å; F206-W217 HydrophobicContact CB-CE3 3.93Å; F206-W217 HydrophobicContact CB-CH2 3.56Å; F206-W217 HydrophobicContact CB-CZ2 4.16Å; F206-W217 HydrophobicContact CB-CZ3 3.41Å; F206-W217 VanDerWaalsContact CB-CZ3 3.41Å; F206-W217 HydrophobicContact CG-CH2 4.19Å; F206-W217 HydrophobicContact CG-CZ3 4.16Å |
| 207 | E | 98.4 | Very high | 97.8 | Very high | 130 Ų | 130 | 58.9 Ų | 58.9 | 61% | 0.607 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68 | -44.9 | 175.7 | -175.5 | 167.6 | -167.4 | 0 | 0 | 112.1 | R205 M209 A210 N211 W217 | R205-E207 VanDerWaalsContact C-N 3.3Å; R205-E207 PolarHBondContact O-N 2.93Å; E207-M209 VanDerWaalsContact C-N 3.31Å; E207-M209 PolarHBondContact O-N 3.23Å; E207-A210 WeakPolarHBondContact O-CB 3.29Å; E207-A210 PolarHBondContact O-N 3.08Å; E207-N211 PolarHBondContact O-N 3.33Å; E207-W217 HydrophobicContact CB-CB 4.35Å; E207-W217 HydrophobicContact CB-CD2 4.44Å; E207-W217 HydrophobicContact CB-CG 3.92Å; E207-W217 HydrophobicContact CG-CB 4.17Å; E207-W217 HydrophobicContact CG-CG 4.08Å |
| 208 | L | 98.4 | Very high | 97.8 | Very high | 105 Ų | 105 | 57.9 Ų | 57.9 | 55% | 0.55 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 173.9 | -68.9 | 175.2 | 0 | 0 | 0 | 111.3 | F200 R205 N211 C212 | F200-L208 HydrophobicContact CE1-CB 4.18Å; R205-L208 PolarHBondContact O-N 2.94Å; R205-L208 VanDerWaalsContact O-N 3.15Å; L208-N211 PolarHBondContact O-N 3.2Å; L208-C212 WeakPolarHBondContact O-CB 3.4Å; L208-C212 PolarHBondContact O-N 2.93Å |
| 209 | M | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 176.4 | -166.8 | 174.4 | 79.6 | 0 | 0 | 110.8 | I26 W33 L189 C191 F200 R205 F206 E207 N211 C212 I213 | I26-M209 HydrophobicContact CD1-CE 3.7Å; W33-M209 HydrophobicContact CE3-CE 4.39Å; W33-M209 HydrophobicContact CH2-CE 4.03Å; W33-M209 HydrophobicContact CZ3-CE 3.39Å; L189-M209 HydrophobicContact CB-SD 4.03Å; L189-M209 HydrophobicContact CD2-CE 3.98Å; L189-M209 HydrophobicContact CD2-SD 3.78Å; L189-M209 HydrophobicContact CG-SD 4.43Å; C191-M209 WeakPolarHBondContact SG-CG 3.43Å; C191-M209 PolarHBondContact SG-SD 2.92Å; F200-M209 HydrophobicContact CD1-CB 4.39Å; F200-M209 HydrophobicContact CD2-CB 4.34Å; F200-M209 HydrophobicContact CD2-CG 3.94Å; F200-M209 HydrophobicContact CD2-SD 4.32Å; F200-M209 HydrophobicContact CE1-CB 4.38Å; F200-M209 HydrophobicContact CE2-CB 4.33Å; F200-M209 HydrophobicContact CE2-CG 3.96Å; F200-M209 HydrophobicContact CG-CB 4.38Å; F200-M209 HydrophobicContact CG-CG 4.4Å; F200-M209 HydrophobicContact CZ-CB 4.36Å; F200-M209 HydrophobicContact CZ-CG 4.44Å; R205-M209 WeakPolarHBondContact O-CB 3.48Å; R205-M209 PolarHBondContact O-N 3.26Å; F206-M209 HydrophobicContact CD1-CE 3.6Å; F206-M209 HydrophobicContact CE1-CE 3.94Å; F206-M209 PolarHBondContact O-N 3.12Å; E207-M209 VanDerWaalsContact C-N 3.31Å; E207-M209 PolarHBondContact O-N 3.23Å; M209-N211 VanDerWaalsContact C-N 3.33Å; M209-N211 PolarHBondContact O-N 3.08Å; M209-C212 WeakPolarHBondContact O-CB 3.44Å; M209-C212 PolarHBondContact O-N 3.24Å; M209-C212 VanDerWaalsContact O-N 3.12Å; M209-I213 WeakPolarHBondContact O-CG1 3.12Å; M209-I213 PolarHBondContact O-N 3.46Å |
| 210 | A | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.1 | -48.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | W33 F206 E207 C212 I213 G214 E215 W217 | W33-A210 HydrophobicContact CH2-CB 3.92Å; W33-A210 HydrophobicContact CZ2-CB 3.42Å; W33-A210 VanDerWaalsContact CZ2-CB 3.42Å; F206-A210 WeakPolarHBondContact O-CB 3.49Å; F206-A210 PolarHBondContact O-N 3.25Å; E207-A210 WeakPolarHBondContact O-CB 3.29Å; E207-A210 PolarHBondContact O-N 3.08Å; A210-C212 PolarHBondContact O-N 3.17Å; A210-I213 CarbonylContact O-C 3.59Å; A210-I213 PolarHBondContact O-N 3.13Å; A210-G214 PolarHBondContact O-N 3.41Å; A210-E215 CarbonylContact C-O 3.35Å; A210-E215 WeakPolarHBondContact CB-O 3.34Å; A210-E215 PolarHBondContact O-N 3.31Å; A210-W217 HydrophobicContact CB-CB 3.96Å |
| 211 | N | 97.9 | Very high | 97.4 | Very high | 133 Ų | 133 | 52 Ų | 52 | 71% | 0.711 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.7 | -44.7 | 175.7 | -180 | 73.5 | 0 | 0 | 0 | 112.3 | E207 L208 M209 I213 G214 | E207-N211 PolarHBondContact O-N 3.33Å; L208-N211 PolarHBondContact O-N 3.2Å; M209-N211 VanDerWaalsContact C-N 3.33Å; M209-N211 PolarHBondContact O-N 3.08Å; N211-I213 VanDerWaalsContact C-N 3.35Å; N211-I213 PolarHBondContact O-N 3.17Å; N211-G214 PolarHBondContact O-N 3.14Å |
| 212 | C | 96.8 | Very high | 97.1 | Very high | 42 Ų | 42 | 48.8 Ų | 48.8 | 28% | 0.284 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 177.9 | 174.8 | 0 | 0 | 0 | 0 | 112.5 | F200 L208 M209 A210 G214 | F200-C212 HydrophobicContact CE2-CB 4.35Å; F200-C212 HydrophobicContact CZ-CB 3.69Å; L208-C212 WeakPolarHBondContact O-CB 3.4Å; L208-C212 PolarHBondContact O-N 2.93Å; M209-C212 WeakPolarHBondContact O-CB 3.44Å; M209-C212 PolarHBondContact O-N 3.24Å; M209-C212 VanDerWaalsContact O-N 3.12Å; A210-C212 PolarHBondContact O-N 3.17Å; C212-G214 VanDerWaalsContact C-N 3.32Å |
| 213 | I | 96 | Very high | 96.4 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -89.5 | 4.8 | -179.2 | 70.4 | 173.9 | 0 | 0 | 0 | 113.4 | K6 W33 I35 C191 V193 M209 A210 N211 E215 | K6-I213 HydrophobicContact CD-CB 3.65Å; K6-I213 HydrophobicContact CD-CG2 4.1Å; K6-I213 WeakPolarHBondContact CE-O 3.37Å; K6-I213 PolarHBondContact NZ-O 2.9Å; W33-I213 HydrophobicContact CD2-CD1 4.16Å; W33-I213 HydrophobicContact CE3-CD1 3.83Å; W33-I213 HydrophobicContact CZ3-CD1 4.3Å; I35-I213 HydrophobicContact CG2-CD1 3.87Å; C191-I213 HydrophobicContact CB-CG2 3.83Å; V193-I213 HydrophobicContact CG2-CG2 3.87Å; M209-I213 WeakPolarHBondContact O-CG1 3.12Å; M209-I213 PolarHBondContact O-N 3.46Å; A210-I213 CarbonylContact O-C 3.59Å; A210-I213 PolarHBondContact O-N 3.13Å; N211-I213 VanDerWaalsContact C-N 3.35Å; N211-I213 PolarHBondContact O-N 3.17Å; I213-E215 VanDerWaalsContact C-N 3.34Å; I213-E215 HydrophobicContact CD1-CB 4.13Å; I213-E215 HydrophobicContact CD1-CG 3.72Å; I213-E215 HydrophobicContact CG1-CB 3.84Å; I213-E215 HydrophobicContact CG1-CG 3.61Å |
| 214 | G | 95.8 | Very high | 95.5 | Very high | 68 Ų | 68 | 60.6 Ų | 60.6 | 70% | 0.701 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 29.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | A210 N211 C212 | A210-G214 PolarHBondContact O-N 3.41Å; N211-G214 PolarHBondContact O-N 3.14Å; C212-G214 VanDerWaalsContact C-N 3.32Å |
| 215 | E | 96.8 | Very high | 93.8 | Very high | 51 Ų | 51 | 58.2 Ų | 58.2 | 24% | 0.238 | 30% | 0.302 | C | S | . | . | trans | -111.6 | 161.1 | -179.4 | -67.6 | -72.3 | 178.6 | 0 | 0 | 111.4 | W33 N34 A210 I213 | W33-E215 HydrophobicContact CB-CB 4.47Å; W33-E215 HydrophobicContact CB-CG 3.93Å; W33-E215 HydrophobicContact CD2-CB 4.13Å; W33-E215 HydrophobicContact CD2-CG 4.41Å; W33-E215 HydrophobicContact CG-CB 3.82Å; W33-E215 HydrophobicContact CG-CG 3.82Å; N34-E215 WeakPolarHBondContact CB-OE1 3.49Å; N34-E215 PolarHBondContact N-OE1 3.39Å; A210-E215 CarbonylContact C-O 3.35Å; A210-E215 WeakPolarHBondContact CB-O 3.34Å; A210-E215 PolarHBondContact O-N 3.31Å; I213-E215 VanDerWaalsContact C-N 3.34Å; I213-E215 HydrophobicContact CD1-CB 4.13Å; I213-E215 HydrophobicContact CD1-CG 3.72Å; I213-E215 HydrophobicContact CG1-CB 3.84Å; I213-E215 HydrophobicContact CG1-CG 3.61Å | ||
| 216 | K | 96.9 | Very high | 92 | Very high | 140 Ų | 140 | 56.8 Ų | 56.8 | 61% | 0.609 | 31% | 0.311 | S | S | * | . | trans | -90.5 | 128.7 | 178.5 | -172.8 | 175.2 | 178.4 | -175.6 | 0 | 111.2 | W33 L218 | W33-K216 PolarHBondContact NE1-O 2.88Å; K216-L218 HydrophobicContact CD-CD2 3.77Å; K216-L218 HydrophobicContact CG-CD2 3.91Å | ||
| 217 | W | 97.6 | Very high | 89.9 | Confident | 53 Ų | 53 | 61 Ų | 61 | 20% | 0.201 | 34% | 0.341 | C | S | . | . | trans | -81.2 | 126.5 | 167.9 | -180 | -124.1 | 0 | 0 | 0 | 110.6 | I25 Y29 W33 F206 E207 A210 G219 P220 | I25-W217 HydrophobicContact CG2-CH2 3.76Å; I25-W217 HydrophobicContact CG2-CZ3 3.93Å; Y29-W217 AromaticContact CD2-CZ3 3.93Å; Y29-W217 HydrophobicContact CD2-CZ3 3.93Å; Y29-W217 HydrophobicContact CE1-CE3 4.06Å; Y29-W217 HydrophobicContact CE1-CZ3 4.23Å; Y29-W217 AromaticContact CE2-CE3 3.77Å; Y29-W217 HydrophobicContact CE2-CE3 3.77Å; Y29-W217 AromaticContact CE2-CH2 3.88Å; Y29-W217 HydrophobicContact CE2-CH2 3.88Å; Y29-W217 AromaticContact CE2-CZ3 3.13Å; Y29-W217 HydrophobicContact CE2-CZ3 3.13Å; Y29-W217 AromaticContact CZ-CE3 3.38Å; Y29-W217 AromaticContact CZ-CZ3 3.29Å; Y29-W217 VanDerWaalsContact OH-CZ3 3.29Å; Y29-W217 WeakPolarHBondContact OH-CZ3 3.4Å; W33-W217 HydrophobicContact CH2-CE3 4.11Å; W33-W217 HydrophobicContact CH2-CZ3 4.32Å; W33-W217 AromaticContact CZ2-CE3 3.83Å; W33-W217 HydrophobicContact CZ2-CE3 3.83Å; W33-W217 HydrophobicContact CZ2-CZ3 4.39Å; F206-W217 HydrophobicContact CB-CE3 3.93Å; F206-W217 HydrophobicContact CB-CH2 3.56Å; F206-W217 HydrophobicContact CB-CZ2 4.16Å; F206-W217 HydrophobicContact CB-CZ3 3.41Å; F206-W217 VanDerWaalsContact CB-CZ3 3.41Å; F206-W217 HydrophobicContact CG-CH2 4.19Å; F206-W217 HydrophobicContact CG-CZ3 4.16Å; E207-W217 HydrophobicContact CB-CB 4.35Å; E207-W217 HydrophobicContact CB-CD2 4.44Å; E207-W217 HydrophobicContact CB-CG 3.92Å; E207-W217 HydrophobicContact CG-CB 4.17Å; E207-W217 HydrophobicContact CG-CG 4.08Å; A210-W217 HydrophobicContact CB-CB 3.96Å; W217-G219 VanDerWaalsContact CE2-CA 3.41Å; W217-G219 VanDerWaalsContact CH2-C 3.45Å; W217-G219 VanDerWaalsContact CH2-O 3.31Å; W217-G219 WeakPolarHBondContact CH2-O 3Å; W217-P220 HydrophobicContact CH2-CB 4.49Å | ||
| 218 | L | 97.4 | Very high | 87.6 | Confident | 43 Ų | 43 | 65.3 Ų | 65.3 | 23% | 0.225 | 35% | 0.351 | C | S | . | . | trans | -112.9 | 20.4 | -179.8 | -58.9 | 177.1 | 0 | 0 | 0 | 111.7 | Y29 V32 K216 P222 S225 | Y29-L218 WeakPolarHBondContact OH-CA 3.35Å; Y29-L218 PolarHBondContact OH-N 3.16Å; V32-L218 HydrophobicContact CG1-CD1 4.12Å; K216-L218 HydrophobicContact CD-CD2 3.77Å; K216-L218 HydrophobicContact CG-CD2 3.91Å; L218-P222 HydrophobicContact CB-CB 4.08Å; L218-P222 HydrophobicContact CD1-CB 4.11Å; L218-S225 WeakPolarHBondContact O-CB 3.31Å; L218-S225 PolarHBondContact O-OG 2.92Å | ||
| 219 | G | 97 | Very high | 85 | Confident | 14 Ų | 14 | 69.3 Ų | 69.3 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | trans | 79.2 | 178 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y29 W217 N221 | Y29-G219 WeakPolarHBondContact CE2-O 3.46Å; Y29-G219 PolarHBondContact OH-N 3.1Å; Y29-G219 PolarHBondContact OH-O 2.98Å; W217-G219 VanDerWaalsContact CE2-CA 3.41Å; W217-G219 VanDerWaalsContact CH2-C 3.45Å; W217-G219 VanDerWaalsContact CH2-O 3.31Å; W217-G219 WeakPolarHBondContact CH2-O 3Å; G219-N221 PolarHBondContact O-N 2.89Å; G219-N221 VanDerWaalsContact O-N 3.1Å | ||
| 220 | P | 95.7 | Very high | 84.3 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 7% | 0.071 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -70.1 | -9.4 | -173 | 29.7 | -37.7 | 0 | 0 | 0 | 114.6 | I25 R28 Y76 F77 W217 | I25-P220 HydrophobicContact CD1-CB 4.25Å; I25-P220 HydrophobicContact CG1-CB 4.34Å; R28-P220 WeakPolarHBondContact CD-O 3.12Å; R28-P220 PolarHBondContact NH1-O 3.45Å; Y76-P220 HydrophobicContact CD1-CG 4.18Å; Y76-P220 HydrophobicContact CD2-CG 4.42Å; Y76-P220 HydrophobicContact CE1-CG 3.8Å; Y76-P220 HydrophobicContact CE2-CG 4.05Å; Y76-P220 HydrophobicContact CG-CG 4.47Å; F77-P220 HydrophobicContact CD1-CB 3.34Å; F77-P220 HydrophobicContact CD1-CG 3.8Å; F77-P220 HydrophobicContact CE1-CB 3.76Å; F77-P220 HydrophobicContact CE1-CG 4.24Å; F77-P220 HydrophobicContact CG-CB 4.14Å; W217-P220 HydrophobicContact CH2-CB 4.49Å |
| 221 | N | 93.9 | Very high | 83.6 | Confident | 29 Ų | 29 | 76.5 Ų | 76.5 | 16% | 0.155 | 41% | 0.411 | C | S | . | . | trans | -133.2 | 86.5 | 178 | -166.5 | -38.8 | 0 | 0 | 0 | 109.6 | G219 D223 R224 S225 | G219-N221 PolarHBondContact O-N 2.89Å; G219-N221 VanDerWaalsContact O-N 3.1Å; N221-D223 VanDerWaalsContact C-N 3.27Å; N221-D223 PolarHBondContact O-N 3.36Å; N221-R224 HydrophobicContact CB-CB 4.31Å; N221-R224 HydrophobicContact CB-CG 4.47Å; N221-R224 PolarHBondContact O-N 3.28Å; N221-R224 PolarHBondContact OD1-N 3.04Å; N221-S225 PolarHBondContact O-N 3.38Å; N221-S225 PolarHBondContact O-OG 3Å | ||
| 222 | P | 92.8 | Very high | 82.8 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 2% | 0.019 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.8 | -31.6 | -173.4 | 23.5 | -32.6 | 0 | 0 | 0 | 113.1 | R28 Y29 V32 L218 R224 S225 A226 | R28-P222 HydrophobicContact CB-CG 4.12Å; Y29-P222 HydrophobicContact CD2-CG 4.21Å; Y29-P222 HydrophobicContact CE1-CB 4.16Å; Y29-P222 HydrophobicContact CE1-CG 4.37Å; Y29-P222 HydrophobicContact CE2-CB 4.32Å; Y29-P222 HydrophobicContact CE2-CG 3.9Å; V32-P222 HydrophobicContact CG1-CB 4.39Å; V32-P222 HydrophobicContact CG2-CB 4.01Å; V32-P222 HydrophobicContact CG2-CG 3.94Å; L218-P222 HydrophobicContact CB-CB 4.08Å; L218-P222 HydrophobicContact CD1-CB 4.11Å; P222-R224 PolarHBondContact O-N 2.97Å; P222-S225 PolarHBondContact O-N 3.01Å; P222-A226 PolarHBondContact O-N 2.77Å |
| 223 | D | 84.1 | Confident | 82 | Confident | 113 Ų | 113 | 75.2 Ų | 75.2 | 60% | 0.604 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -66.6 | -37.5 | 179.5 | -58.2 | -31.6 | 0 | 0 | 0 | 112.4 | N221 S225 S227 | N221-D223 VanDerWaalsContact C-N 3.27Å; N221-D223 PolarHBondContact O-N 3.36Å; D223-S225 VanDerWaalsContact C-N 3.34Å; D223-S227 PolarHBondContact O-N 2.83Å; D223-S227 PolarHBondContact O-OG 2.85Å |
| 224 | R | 77.9 | Confident | 81.1 | Confident | 144 Ų | 144 | 79.8 Ų | 79.8 | 54% | 0.543 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -72.3 | -28.5 | 175.9 | -74.3 | -175.3 | -179.5 | 177.2 | 2.5 | 112.9 | S78 N221 P222 S227 | S78-R224 PolarHBondContact OG-NH1 3.41Å; N221-R224 HydrophobicContact CB-CB 4.31Å; N221-R224 HydrophobicContact CB-CG 4.47Å; N221-R224 PolarHBondContact O-N 3.28Å; N221-R224 PolarHBondContact OD1-N 3.04Å; P222-R224 PolarHBondContact O-N 2.97Å; R224-S227 PolarHBondContact O-OG 2.93Å |
| 225 | S | 62.9 | Low | 80.1 | Confident | 42 Ų | 42 | 80.5 Ų | 80.5 | 29% | 0.294 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -79.1 | -33.9 | 178.6 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | L218 N221 P222 D223 S227 R228 | L218-S225 WeakPolarHBondContact O-CB 3.31Å; L218-S225 PolarHBondContact O-OG 2.92Å; N221-S225 PolarHBondContact O-N 3.38Å; N221-S225 PolarHBondContact O-OG 3Å; P222-S225 PolarHBondContact O-N 3.01Å; D223-S225 VanDerWaalsContact C-N 3.34Å; S225-S227 VanDerWaalsContact C-N 3.28Å; S225-S227 PolarHBondContact O-N 3.46Å; S225-R228 PolarHBondContact O-N 3.42Å |
| 226 | A | 61 | Low | 78.9 | Confident | 63 Ų | 63 | 82.6 Ų | 82.6 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.3 | -28.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | P222 | P222-A226 PolarHBondContact O-N 2.77Å |
| 227 | S | 54.8 | Low | 77.5 | Confident | 94 Ų | 94 | 78.2 Ų | 78.2 | 66% | 0.657 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2.6 | 179.5 | 45.9 | 0 | 0 | 0 | 0 | 114.8 | D223 R224 S225 | D223-S227 PolarHBondContact O-N 2.83Å; D223-S227 PolarHBondContact O-OG 2.85Å; R224-S227 PolarHBondContact O-OG 2.93Å; S225-S227 VanDerWaalsContact C-N 3.28Å; S225-S227 PolarHBondContact O-N 3.46Å |
| 228 | R | 49.8 | Very low | 75.9 | Confident | 219 Ų | 219 | 80.3 Ų | 80.3 | 83% | 0.826 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 1.3 | 175.9 | -67 | -175 | -171.8 | -155.5 | 1.1 | 113.6 | S225 | S225-R228 PolarHBondContact O-N 3.42Š|
| 229 | L | 43.1 | Very low | 73.9 | Confident | 189 Ų | 189 | 83.7 Ų | 83.7 | 99% | 0.99 | 44% | 0.439 | S | S | * | . | trans | -107.6 | 0 | 175.1 | -70.8 | 168.8 | 0 | 0 | 0 | 109.2 |
Retrieved 229 of 229 residues in 280.4 ms
(Link to these results)