| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.1 | Very low | 40.8 | Very low | 237 Ų | 237 | 156.1 Ų | 156.1 | 100% | 1.167 | 78% | 0.776 | S | S | * | * | 0 | 130.6 | 0 | -88.7 | 166.1 | 162.6 | 0 | 0 | 108.1 | F3 | M1-F3 PolarHBondContact O-N 3.1Å; M1-F3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | K | 30.4 | Very low | 42.8 | Very low | 214 Ų | 214 | 155.3 Ų | 155.3 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | trans | -65.2 | 106.5 | -174.2 | -74.5 | 177 | 174 | 178.5 | 0 | 109.9 | S4 | K2-S4 PolarHBondContact O-N 2.77Š| ||
| 3 | F | 35.9 | Very low | 45.4 | Very low | 208 Ų | 208 | 145.9 Ų | 145.9 | 91% | 0.912 | 73% | 0.728 | S | S | * | * | trans | -63.2 | 103.6 | 162.1 | -87.9 | -89.2 | 0 | 0 | 0 | 107.3 | M1 Q5 | M1-F3 PolarHBondContact O-N 3.1Å; M1-F3 VanDerWaalsContact O-N 3.1Å; F3-Q5 PolarHBondContact O-N 2.79Å; F3-Q5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | S | 35.4 | Very low | 47.6 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | -61 | 113.1 | 162.6 | 51.7 | 0 | 0 | 0 | 0 | 107.1 | K2 A6 | K2-S4 PolarHBondContact O-N 2.77Å; S4-A6 VanDerWaalsContact C-N 3.33Å; S4-A6 PolarHBondContact O-N 3.24Å | ||
| 5 | Q | 29.7 | Very low | 50.1 | Low | 193 Ų | 193 | 135.5 Ų | 135.5 | 90% | 0.902 | 70% | 0.695 | S | S | * | * | trans | -54 | 100.6 | 166.2 | -78.2 | 171.7 | -27.8 | 0 | 0 | 107.6 | F3 K7 | F3-Q5 PolarHBondContact O-N 2.79Å; F3-Q5 VanDerWaalsContact O-N 3.14Å; Q5-K7 PolarHBondContact O-N 3.4Å | ||
| 6 | A | 38.6 | Very low | 52.3 | Low | 90 Ų | 90 | 127.1 Ų | 127.1 | 74% | 0.744 | 65% | 0.651 | S | S | * | * | trans | -60.8 | 123.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | S4 E8 | S4-A6 VanDerWaalsContact C-N 3.33Å; S4-A6 PolarHBondContact O-N 3.24Å; A6-E8 PolarHBondContact O-N 3.16Å; A6-E8 VanDerWaalsContact O-N 3.13Å | ||
| 7 | K | 36.9 | Very low | 54.4 | Low | 187 Ų | 187 | 122.4 Ų | 122.4 | 81% | 0.813 | 63% | 0.63 | S | S | * | * | trans | -42.8 | 123 | 170.6 | -78.5 | 178.1 | 170.4 | -178.4 | 0 | 108.3 | Q5 D9 | Q5-K7 PolarHBondContact O-N 3.4Å; K7-D9 PolarHBondContact O-N 3.45Å | ||
| 8 | E | 42.3 | Very low | 56.3 | Low | 176 Ų | 176 | 119.2 Ų | 119.2 | 82% | 0.822 | 61% | 0.612 | S | S | * | * | trans | -60.7 | 94 | 165.9 | -80.2 | -177.6 | 141.9 | 0 | 0 | 107.1 | A6 N10 | A6-E8 PolarHBondContact O-N 3.16Å; A6-E8 VanDerWaalsContact O-N 3.13Å; E8-N10 VanDerWaalsContact C-N 3.31Å; E8-N10 PolarHBondContact O-N 2.93Å | ||
| 9 | D | 52.6 | Low | 58.1 | Low | 79 Ų | 79 | 112.9 Ų | 112.9 | 42% | 0.422 | 58% | 0.58 | S | S | . | * | trans | -64 | 102.7 | 162 | -73.2 | -25.4 | 0 | 0 | 0 | 105.1 | K7 W11 K26 | K7-D9 PolarHBondContact O-N 3.45Å; D9-W11 VanDerWaalsContact C-N 3.3Å; D9-W11 HydrophobicContact CB-CD2 4.48Å; D9-W11 HydrophobicContact CB-CZ2 4.27Å; D9-W11 PolarHBondContact O-N 2.97Å; D9-W11 PolarHBondContact O-NE1 3.35Å; D9-K26 IonicContact OD2-NZ 3.07Å; D9-K26 PolarHBondContact OD2-NZ 3.35Å | ||
| 10 | N | 52 | Low | 59.8 | Low | 138 Ų | 138 | 107.4 Ų | 107.4 | 74% | 0.738 | 55% | 0.551 | S | S | * | * | trans | -75.1 | 88.6 | -179.3 | -152.8 | 15.7 | 0 | 0 | 0 | 108 | E8 N12 | E8-N10 VanDerWaalsContact C-N 3.31Å; E8-N10 PolarHBondContact O-N 2.93Å; N10-N12 PolarHBondContact O-N 3.04Å | ||
| 11 | W | 60 | Low | 61.4 | Low | 86 Ų | 86 | 107.7 Ų | 107.7 | 33% | 0.326 | 55% | 0.545 | S | S | . | . | trans | -77.2 | 86.1 | -176.6 | -63.2 | 101.4 | 0 | 0 | 0 | 111.5 | D9 F13 K26 | D9-W11 VanDerWaalsContact C-N 3.3Å; D9-W11 HydrophobicContact CB-CD2 4.48Å; D9-W11 HydrophobicContact CB-CZ2 4.27Å; D9-W11 PolarHBondContact O-N 2.97Å; D9-W11 PolarHBondContact O-NE1 3.35Å; W11-F13 HydrophobicContact CB-CD2 3.91Å; W11-F13 HydrophobicContact CB-CE2 3.41Å; W11-F13 VanDerWaalsContact CB-CE2 3.41Å; W11-F13 HydrophobicContact CB-CZ 3.76Å; W11-F13 HydrophobicContact CD2-CE1 4.37Å; W11-F13 HydrophobicContact CD2-CE2 4.2Å; W11-F13 AromaticContact CD2-CZ 3.67Å; W11-F13 HydrophobicContact CD2-CZ 3.67Å; W11-F13 AromaticContact CE3-CE1 3.57Å; W11-F13 HydrophobicContact CE3-CE1 3.57Å; W11-F13 HydrophobicContact CE3-CE2 4.2Å; W11-F13 AromaticContact CE3-CZ 3.3Å; W11-F13 HydrophobicContact CE3-CZ 3.3Å; W11-F13 AromaticContact CG-CE2 3.94Å; W11-F13 HydrophobicContact CG-CE2 3.94Å; W11-F13 AromaticContact CG-CZ 3.91Å; W11-F13 HydrophobicContact CG-CZ 3.91Å; W11-F13 HydrophobicContact CZ3-CE1 4.13Å; W11-F13 HydrophobicContact CZ3-CZ 4.03Å; W11-F13 PolarHBondContact O-N 3.14Å; W11-F13 VanDerWaalsContact O-N 3.16Å; W11-K26 HydrophobicContact CH2-CD 3.28Å; W11-K26 HydrophobicContact CZ2-CD 3.32Å; W11-K26 VanDerWaalsContact CZ2-CE 3.49Å | ||
| 12 | N | 65.2 | Low | 64.1 | Low | 146 Ų | 146 | 97.4 Ų | 97.4 | 78% | 0.781 | 50% | 0.5 | S | S | * | . | trans | -81.7 | 87.1 | 168 | -73.6 | -10.1 | 0 | 0 | 0 | 109.1 | N10 | N10-N12 PolarHBondContact O-N 3.04Š| ||
| 13 | F | 76.2 | Confident | 67.2 | Low | 34 Ų | 34 | 87.3 Ų | 87.3 | 15% | 0.149 | 46% | 0.456 | C | S | . | . | trans | -81 | 143.9 | 170.6 | -59.4 | -66.6 | 0 | 0 | 0 | 110.5 | W11 S15 E18 G19 L387 | W11-F13 HydrophobicContact CB-CD2 3.91Å; W11-F13 HydrophobicContact CB-CE2 3.41Å; W11-F13 VanDerWaalsContact CB-CE2 3.41Å; W11-F13 HydrophobicContact CB-CZ 3.76Å; W11-F13 HydrophobicContact CD2-CE1 4.37Å; W11-F13 HydrophobicContact CD2-CE2 4.2Å; W11-F13 AromaticContact CD2-CZ 3.67Å; W11-F13 HydrophobicContact CD2-CZ 3.67Å; W11-F13 AromaticContact CE3-CE1 3.57Å; W11-F13 HydrophobicContact CE3-CE1 3.57Å; W11-F13 HydrophobicContact CE3-CE2 4.2Å; W11-F13 AromaticContact CE3-CZ 3.3Å; W11-F13 HydrophobicContact CE3-CZ 3.3Å; W11-F13 AromaticContact CG-CE2 3.94Å; W11-F13 HydrophobicContact CG-CE2 3.94Å; W11-F13 AromaticContact CG-CZ 3.91Å; W11-F13 HydrophobicContact CG-CZ 3.91Å; W11-F13 HydrophobicContact CZ3-CE1 4.13Å; W11-F13 HydrophobicContact CZ3-CZ 4.03Å; W11-F13 PolarHBondContact O-N 3.14Å; W11-F13 VanDerWaalsContact O-N 3.16Å; F13-S15 VanDerWaalsContact C-N 3.35Å; F13-E18 HydrophobicContact CD1-CG 4.22Å; F13-G19 VanDerWaalsContact CD2-CA 3.41Å; F13-L387 HydrophobicContact CD2-CD2 4.06Å | ||
| 14 | S | 75.9 | Confident | 70 | Confident | 100 Ų | 100 | 77.4 Ų | 77.4 | 70% | 0.699 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -77.7 | -24 | 177.6 | 68.6 | 0 | 0 | 0 | 0 | 113 | E18 | S14-E18 VanDerWaalsContact CB-OE2 3.31Å; S14-E18 WeakPolarHBondContact CB-OE2 3.33Å; S14-E18 PolarHBondContact N-OE2 3.29Å; S14-E18 PolarHBondContact OG-OE2 2.99Å |
| 15 | S | 85 | Confident | 72.8 | Confident | 36 Ų | 36 | 76.2 Ų | 76.2 | 25% | 0.252 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -148.6 | 162.6 | 175.5 | 63.2 | 0 | 0 | 0 | 0 | 112.8 | F13 V17 E18 G19 E394 | F13-S15 VanDerWaalsContact C-N 3.35Å; S15-V17 VanDerWaalsContact C-N 3.28Å; S15-V17 PolarHBondContact O-N 2.92Å; S15-E18 PolarHBondContact O-N 3.31Å; S15-E18 PolarHBondContact OG-N 3.49Å; S15-G19 PolarHBondContact O-N 3.19Å; S15-E394 VanDerWaalsContact C-OE1 3.27Å; S15-E394 WeakPolarHBondContact CA-OE1 3.28Å |
| 16 | V | 86.5 | Confident | 75.8 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 174.8 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | G19 L20 A284 M390 I391 E394 | V16-G19 PolarHBondContact O-N 3.13Å; V16-L20 HydrophobicContact CG1-CD1 4.14Å; V16-L20 HydrophobicContact CG1-CG 4.35Å; V16-L20 WeakPolarHBondContact O-CG 3.48Å; V16-L20 PolarHBondContact O-N 2.96Å; V16-A284 HydrophobicContact CB-CB 4.42Å; V16-A284 HydrophobicContact CG1-CB 4.09Å; V16-M390 HydrophobicContact CG2-CB 3.69Å; V16-I391 HydrophobicContact CB-CG1 4.4Å; V16-I391 HydrophobicContact CG1-CD1 4.2Å; V16-I391 HydrophobicContact CG1-CG1 4.02Å; V16-I391 HydrophobicContact CG2-CG1 3.65Å; V16-E394 WeakPolarHBondContact CG2-OE1 3.38Å; V16-E394 WeakPolarHBondContact CG2-OE2 3.45Å; V16-E394 PolarHBondContact N-OE1 3.4Å |
| 17 | V | 86.7 | Confident | 78.5 | Confident | 47 Ų | 47 | 68 Ų | 68 | 29% | 0.285 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 178.8 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | S15 G19 L20 R21 F50 | S15-V17 VanDerWaalsContact C-N 3.28Å; S15-V17 PolarHBondContact O-N 2.92Å; V17-G19 VanDerWaalsContact C-N 3.31Å; V17-L20 PolarHBondContact O-N 3.38Å; V17-R21 PolarHBondContact O-N 3.18Å; V17-F50 HydrophobicContact CG1-CB 4.07Å; V17-F50 WeakPolarHBondContact CG1-O 3.31Å |
| 18 | E | 88.9 | Confident | 81.3 | Confident | 66 Ų | 66 | 59.1 Ų | 59.1 | 31% | 0.308 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 174.9 | -176.1 | -180 | -154.7 | 0 | 0 | 111.2 | F13 S14 S15 R21 G22 | F13-E18 HydrophobicContact CD1-CG 4.22Å; S14-E18 VanDerWaalsContact CB-OE2 3.31Å; S14-E18 WeakPolarHBondContact CB-OE2 3.33Å; S14-E18 PolarHBondContact N-OE2 3.29Å; S14-E18 PolarHBondContact OG-OE2 2.99Å; S15-E18 PolarHBondContact O-N 3.31Å; S15-E18 PolarHBondContact OG-N 3.49Å; E18-R21 PolarHBondContact O-N 3.04Å; E18-G22 PolarHBondContact O-N 3.3Å |
| 19 | G | 91.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -49.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | F13 S15 V16 V17 R21 G22 L23 | F13-G19 VanDerWaalsContact CD2-CA 3.41Å; S15-G19 PolarHBondContact O-N 3.19Å; V16-G19 PolarHBondContact O-N 3.13Å; V17-G19 VanDerWaalsContact C-N 3.31Å; G19-R21 VanDerWaalsContact C-N 3.31Å; G19-R21 PolarHBondContact O-N 2.97Å; G19-G22 PolarHBondContact O-N 3.23Å; G19-L23 WeakPolarHBondContact O-CB 3.47Å; G19-L23 VanDerWaalsContact O-CG 3.31Å; G19-L23 WeakPolarHBondContact O-CG 3.44Å; G19-L23 PolarHBondContact O-N 2.98Å |
| 20 | L | 92.6 | Very high | 86 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.8 | -42.3 | 177 | -71.8 | 173.9 | 0 | 0 | 0 | 111.9 | V16 V17 Y24 F50 K287 L288 M291 L387 | V16-L20 HydrophobicContact CG1-CD1 4.14Å; V16-L20 HydrophobicContact CG1-CG 4.35Å; V16-L20 WeakPolarHBondContact O-CG 3.48Å; V16-L20 PolarHBondContact O-N 2.96Å; V17-L20 PolarHBondContact O-N 3.38Å; L20-Y24 WeakPolarHBondContact O-CB 3.46Å; L20-Y24 PolarHBondContact O-N 2.93Å; L20-F50 HydrophobicContact CB-CD1 4.27Å; L20-F50 HydrophobicContact CB-CE1 4.31Å; L20-K287 HydrophobicContact CD1-CB 3.89Å; L20-L288 HydrophobicContact CD1-CB 4.25Å; L20-L288 HydrophobicContact CD2-CB 4.25Å; L20-L288 HydrophobicContact CD2-CG 4.32Å; L20-M291 HydrophobicContact CD2-CB 4.3Å; L20-M291 HydrophobicContact CD2-CG 4.35Å; L20-L387 HydrophobicContact CD2-CD1 3.88Å; L20-L387 HydrophobicContact CG-CD1 4.14Å |
| 21 | R | 92.3 | Very high | 88.2 | Confident | 114 Ų | 114 | 45.3 Ų | 45.3 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 176.1 | -175.7 | -176.9 | 66.2 | 178.3 | -1.1 | 111.7 | V17 E18 G19 Y24 E25 F50 | V17-R21 PolarHBondContact O-N 3.18Å; E18-R21 PolarHBondContact O-N 3.04Å; G19-R21 VanDerWaalsContact C-N 3.31Å; G19-R21 PolarHBondContact O-N 2.97Å; R21-Y24 PolarHBondContact O-N 3.38Å; R21-E25 PolarHBondContact O-N 3.21Å; R21-F50 HydrophobicContact CB-CB 4.32Å; R21-F50 HydrophobicContact CB-CD1 3.87Å; R21-F50 HydrophobicContact CB-CD2 4.22Å; R21-F50 HydrophobicContact CB-CE1 4.23Å; R21-F50 HydrophobicContact CB-CG 3.86Å; R21-F50 HydrophobicContact CG-CD2 4.04Å; R21-F50 HydrophobicContact CG-CE2 4.33Å; R21-F50 HydrophobicContact CG-CG 4.17Å |
| 22 | G | 92.7 | Very high | 90 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 21% | 0.206 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E18 G19 K26 | E18-G22 PolarHBondContact O-N 3.3Å; G19-G22 PolarHBondContact O-N 3.23Å; G22-K26 WeakPolarHBondContact O-CB 3.3Å; G22-K26 PolarHBondContact O-N 3.49Å; G22-K26 VanDerWaalsContact O-N 3.14Å |
| 23 | L | 94.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 175.4 | -68.6 | -174.7 | 0 | 0 | 0 | 111.9 | G19 K26 R27 M379 E383 I384 L387 | G19-L23 WeakPolarHBondContact O-CB 3.47Å; G19-L23 VanDerWaalsContact O-CG 3.31Å; G19-L23 WeakPolarHBondContact O-CG 3.44Å; G19-L23 PolarHBondContact O-N 2.98Å; L23-K26 PolarHBondContact O-N 3.5Å; L23-R27 HydrophobicContact CD2-CG 4.46Å; L23-R27 WeakPolarHBondContact O-CA 3.38Å; L23-R27 VanDerWaalsContact O-CB 3.25Å; L23-R27 WeakPolarHBondContact O-CB 3.28Å; L23-R27 PolarHBondContact O-N 3.13Å; L23-M379 HydrophobicContact CB-CG 4.19Å; L23-M379 HydrophobicContact CB-SD 4.1Å; L23-M379 HydrophobicContact CD1-CG 4.08Å; L23-M379 HydrophobicContact CD2-CG 4.47Å; L23-M379 HydrophobicContact CG-CG 4.49Å; L23-E383 HydrophobicContact CD1-CB 3.85Å; L23-E383 HydrophobicContact CD2-CB 3.85Å; L23-E383 HydrophobicContact CD2-CG 4.21Å; L23-E383 VanDerWaalsContact CD2-OE2 3.29Å; L23-E383 WeakPolarHBondContact CD2-OE2 3.34Å; L23-I384 HydrophobicContact CD1-CG1 4.36Å; L23-L387 HydrophobicContact CD1-CD1 3.49Å; L23-L387 VanDerWaalsContact CD1-CD1 3.49Å; L23-L387 HydrophobicContact CD1-CG 4.35Å; L23-L387 HydrophobicContact CG-CD1 4.41Å |
| 24 | Y | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -56.6 | -55.3 | 176.7 | 176.1 | -108.9 | 0 | 0 | 0 | 111.8 | L20 R21 K26 L28 K29 E32 T44 L45 F50 M291 | L20-Y24 WeakPolarHBondContact O-CB 3.46Å; L20-Y24 PolarHBondContact O-N 2.93Å; R21-Y24 PolarHBondContact O-N 3.38Å; Y24-K26 VanDerWaalsContact C-N 3.32Å; Y24-K26 PolarHBondContact O-N 2.91Å; Y24-L28 HydrophobicContact CD2-CB 3.93Å; Y24-L28 HydrophobicContact CD2-CD2 3.94Å; Y24-L28 HydrophobicContact CD2-CG 4.09Å; Y24-L28 HydrophobicContact CE2-CB 4.35Å; Y24-L28 HydrophobicContact CE2-CD2 4.17Å; Y24-L28 HydrophobicContact CE2-CG 4.15Å; Y24-L28 PolarHBondContact O-N 3.38Å; Y24-L28 VanDerWaalsContact O-N 3.09Å; Y24-K29 HydrophobicContact CD1-CB 4.38Å; Y24-K29 HydrophobicContact CE1-CB 3.96Å; Y24-K29 HydrophobicContact CE1-CD 4.01Å; Y24-K29 HydrophobicContact CE1-CG 4.18Å; Y24-K29 HydrophobicContact CE2-CB 4.32Å; Y24-K29 WeakPolarHBondContact O-CB 3.37Å; Y24-K29 PolarHBondContact O-N 3.5Å; Y24-E32 PolarHBondContact OH-OE2 3.07Å; Y24-T44 VanDerWaalsContact OH-CA 3.28Å; Y24-T44 WeakPolarHBondContact OH-CA 3.33Å; Y24-T44 WeakPolarHBondContact OH-CB 3.48Å; Y24-L45 HydrophobicContact CD1-CB 4.21Å; Y24-L45 HydrophobicContact CD1-CD1 4.42Å; Y24-L45 HydrophobicContact CD2-CD1 3.7Å; Y24-L45 HydrophobicContact CD2-CG 4.28Å; Y24-L45 HydrophobicContact CE1-CB 3.7Å; Y24-L45 HydrophobicContact CE1-CD1 4.38Å; Y24-L45 HydrophobicContact CE1-CG 4.12Å; Y24-L45 HydrophobicContact CE2-CB 4.3Å; Y24-L45 HydrophobicContact CE2-CD1 3.69Å; Y24-L45 HydrophobicContact CE2-CG 3.77Å; Y24-L45 HydrophobicContact CG-CD1 4.11Å; Y24-L45 PolarHBondContact OH-N 3.25Å; Y24-F50 AromaticContact CD1-CE2 3.99Å; Y24-F50 HydrophobicContact CD1-CE2 3.99Å; Y24-F50 AromaticContact CD1-CZ 3.71Å; Y24-F50 HydrophobicContact CD1-CZ 3.71Å; Y24-F50 HydrophobicContact CD2-CZ 4.48Å; Y24-F50 HydrophobicContact CG-CE2 4.39Å; Y24-F50 AromaticContact CG-CZ 3.65Å; Y24-F50 HydrophobicContact CG-CZ 3.65Å; Y24-M291 HydrophobicContact CD2-CE 4.23Å; Y24-M291 HydrophobicContact CD2-SD 4.07Å; Y24-M291 HydrophobicContact CG-CE 4.3Å |
| 25 | E | 93.8 | Very high | 93.5 | Very high | 84 Ų | 84 | 33.6 Ų | 33.6 | 39% | 0.393 | 17% | 0.174 | S | C | . | . | I | π-helix | trans | -61.4 | -39 | -176.1 | -75.4 | -67.4 | 153.6 | 0 | 0 | 112.3 | R21 K29 P30 | R21-E25 PolarHBondContact O-N 3.21Å; E25-K29 IonicContact OE1-NZ 3.9Å; E25-K29 PolarHBondContact OE1-NZ 3.05Å; E25-K29 WeakPolarHBondContact OE2-CD 3.35Å; E25-K29 IonicContact OE2-NZ 3.88Å; E25-K29 PolarHBondContact OE2-NZ 3.46Å; E25-P30 WeakPolarHBondContact O-CD 3.4Å |
| 26 | K | 93.9 | Very high | 94 | Very high | 77 Ų | 77 | 34 Ų | 34 | 34% | 0.335 | 17% | 0.173 | S | C | . | . | I | π-helix | trans | -89.3 | -33.6 | -175.1 | -174 | 167.8 | 166.9 | 174.2 | 0 | 114.6 | D9 W11 G22 L23 Y24 | D9-K26 IonicContact OD2-NZ 3.07Å; D9-K26 PolarHBondContact OD2-NZ 3.35Å; W11-K26 HydrophobicContact CH2-CD 3.28Å; W11-K26 HydrophobicContact CZ2-CD 3.32Å; W11-K26 VanDerWaalsContact CZ2-CE 3.49Å; G22-K26 WeakPolarHBondContact O-CB 3.3Å; G22-K26 PolarHBondContact O-N 3.49Å; G22-K26 VanDerWaalsContact O-N 3.14Å; L23-K26 PolarHBondContact O-N 3.5Å; Y24-K26 VanDerWaalsContact C-N 3.32Å; Y24-K26 PolarHBondContact O-N 2.91Å |
| 27 | R | 94.9 | Very high | 94.4 | Very high | 35 Ų | 35 | 34 Ų | 34 | 13% | 0.132 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -107.2 | -49 | -171.4 | -55.5 | -67.6 | -167.3 | -168.7 | -0.7 | 112.2 | L23 V376 M379 E383 | L23-R27 HydrophobicContact CD2-CG 4.46Å; L23-R27 WeakPolarHBondContact O-CA 3.38Å; L23-R27 VanDerWaalsContact O-CB 3.25Å; L23-R27 WeakPolarHBondContact O-CB 3.28Å; L23-R27 PolarHBondContact O-N 3.13Å; R27-V376 WeakPolarHBondContact O-CG2 3.46Å; R27-M379 HydrophobicContact CB-CB 4.07Å; R27-M379 HydrophobicContact CB-CG 4.21Å; R27-M379 HydrophobicContact CB-SD 3.76Å; R27-M379 HydrophobicContact CG-CB 4.09Å; R27-M379 HydrophobicContact CG-CG 4.27Å; R27-M379 HydrophobicContact CG-SD 4.37Å; R27-E383 IonicContact CZ-OE1 3.24Å; R27-E383 IonicContact CZ-OE2 2.97Å; R27-E383 IonicContact NE-OE1 3.58Å; R27-E383 PolarHBondContact NE-OE1 3.4Å; R27-E383 IonicContact NE-OE2 2.9Å; R27-E383 PolarHBondContact NE-OE2 2.93Å; R27-E383 IonicContact NH2-OE1 3.64Å; R27-E383 PolarHBondContact NH2-OE1 2.97Å; R27-E383 IonicContact NH2-OE2 3.1Å |
| 28 | L | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -91 | -46.7 | -169.2 | -175.7 | 54.6 | 0 | 0 | 0 | 113.3 | Y24 P30 L31 E32 M291 R294 A295 A298 V376 M379 | Y24-L28 HydrophobicContact CD2-CB 3.93Å; Y24-L28 HydrophobicContact CD2-CD2 3.94Å; Y24-L28 HydrophobicContact CD2-CG 4.09Å; Y24-L28 HydrophobicContact CE2-CB 4.35Å; Y24-L28 HydrophobicContact CE2-CD2 4.17Å; Y24-L28 HydrophobicContact CE2-CG 4.15Å; Y24-L28 PolarHBondContact O-N 3.38Å; Y24-L28 VanDerWaalsContact O-N 3.09Å; L28-P30 VanDerWaalsContact C-CD 3.49Å; L28-L31 WeakPolarHBondContact O-CA 3.47Å; L28-L31 VanDerWaalsContact O-CB 3.3Å; L28-L31 WeakPolarHBondContact O-CB 3.33Å; L28-L31 PolarHBondContact O-N 2.68Å; L28-E32 HydrophobicContact CD1-CG 4.37Å; L28-E32 HydrophobicContact CG-CG 4.32Å; L28-E32 WeakPolarHBondContact CG-OE1 3.39Å; L28-E32 PolarHBondContact O-N 3.1Å; L28-M291 HydrophobicContact CD2-SD 3.72Å; L28-R294 HydrophobicContact CD2-CG 4.2Å; L28-A295 HydrophobicContact CD1-CB 4.19Å; L28-A295 HydrophobicContact CD2-CB 4.05Å; L28-A298 HydrophobicContact CD1-CB 3.69Å; L28-V376 HydrophobicContact CD1-CG1 4.46Å; L28-V376 HydrophobicContact CD1-CG2 4.24Å; L28-M379 HydrophobicContact CB-SD 4.42Å |
| 29 | K | 96.3 | Very high | 94.8 | Very high | 58 Ų | 58 | 36 Ų | 36 | 25% | 0.252 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -56.2 | -40.8 | -179 | -172.9 | -178.7 | -173.4 | 173.1 | 0 | 113.7 | Y24 E25 L31 E32 V33 | Y24-K29 HydrophobicContact CD1-CB 4.38Å; Y24-K29 HydrophobicContact CE1-CB 3.96Å; Y24-K29 HydrophobicContact CE1-CD 4.01Å; Y24-K29 HydrophobicContact CE1-CG 4.18Å; Y24-K29 HydrophobicContact CE2-CB 4.32Å; Y24-K29 WeakPolarHBondContact O-CB 3.37Å; Y24-K29 PolarHBondContact O-N 3.5Å; E25-K29 IonicContact OE1-NZ 3.9Å; E25-K29 PolarHBondContact OE1-NZ 3.05Å; E25-K29 WeakPolarHBondContact OE2-CD 3.35Å; E25-K29 IonicContact OE2-NZ 3.88Å; E25-K29 PolarHBondContact OE2-NZ 3.46Å; K29-L31 VanDerWaalsContact C-N 3.26Å; K29-L31 PolarHBondContact O-N 2.8Å; K29-E32 PolarHBondContact O-N 3.2Å; K29-V33 HydrophobicContact CG-CG2 4.27Å; K29-V33 WeakPolarHBondContact O-CG2 3.25Å; K29-V33 PolarHBondContact O-N 2.96Å |
| 30 | P | 97.2 | Very high | 94.8 | Very high | 43 Ų | 43 | 36.3 Ų | 36.3 | 28% | 0.279 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.2 | -34.1 | 175.3 | -24.7 | 36.3 | 0 | 0 | 0 | 113.3 | E25 L28 S34 L372 | E25-P30 WeakPolarHBondContact O-CD 3.4Å; L28-P30 VanDerWaalsContact C-CD 3.49Å; P30-S34 WeakPolarHBondContact O-CB 3.3Å; P30-S34 PolarHBondContact O-N 3.03Å; P30-S34 VanDerWaalsContact O-N 3.08Å; P30-S34 PolarHBondContact O-OG 2.94Å; P30-L372 HydrophobicContact CB-CD2 4.2Å |
| 31 | L | 97.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.3 | -49.9 | 173.9 | -170.5 | 78.4 | 0 | 0 | 0 | 110.2 | L28 K29 V33 S34 Y35 A298 K299 A302 L372 I373 V376 | L28-L31 WeakPolarHBondContact O-CA 3.47Å; L28-L31 VanDerWaalsContact O-CB 3.3Å; L28-L31 WeakPolarHBondContact O-CB 3.33Å; L28-L31 PolarHBondContact O-N 2.68Å; K29-L31 VanDerWaalsContact C-N 3.26Å; K29-L31 PolarHBondContact O-N 2.8Å; L31-V33 PolarHBondContact O-N 3.24Å; L31-S34 PolarHBondContact O-N 3.38Å; L31-Y35 HydrophobicContact CD1-CD2 3.85Å; L31-Y35 HydrophobicContact CD1-CE2 3.56Å; L31-Y35 HydrophobicContact CG-CD2 4.19Å; L31-Y35 HydrophobicContact CG-CE2 4.39Å; L31-Y35 WeakPolarHBondContact O-CD2 3.28Å; L31-Y35 PolarHBondContact O-N 2.95Å; L31-Y35 VanDerWaalsContact O-N 3.11Å; L31-A298 HydrophobicContact CD2-CB 4.07Å; L31-K299 HydrophobicContact CD2-CG 4.29Å; L31-A302 HydrophobicContact CD1-CB 3.96Å; L31-A302 HydrophobicContact CD2-CB 4.37Å; L31-A302 HydrophobicContact CG-CB 4.24Å; L31-L372 HydrophobicContact CD1-CB 3.63Å; L31-I373 HydrophobicContact CD1-CG1 4.13Å; L31-V376 HydrophobicContact CB-CG2 4.3Å; L31-V376 HydrophobicContact CD2-CG2 3.86Å |
| 32 | E | 97.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.2 | -49 | 179.8 | -71.4 | -178.1 | -176.2 | 0 | 0 | 112.5 | Y24 L28 K29 L36 F37 R294 A298 | Y24-E32 PolarHBondContact OH-OE2 3.07Å; L28-E32 HydrophobicContact CD1-CG 4.37Å; L28-E32 HydrophobicContact CG-CG 4.32Å; L28-E32 WeakPolarHBondContact CG-OE1 3.39Å; L28-E32 PolarHBondContact O-N 3.1Å; K29-E32 PolarHBondContact O-N 3.2Å; E32-L36 PolarHBondContact O-N 2.85Å; E32-F37 HydrophobicContact CB-CB 3.82Å; E32-F37 HydrophobicContact CB-CD1 4.37Å; E32-F37 HydrophobicContact CB-CG 4.25Å; E32-F37 HydrophobicContact CG-CB 4.09Å; E32-F37 HydrophobicContact CG-CD1 3.99Å; E32-F37 HydrophobicContact CG-CG 3.98Å; E32-F37 VanDerWaalsContact O-CB 3.26Å; E32-F37 WeakPolarHBondContact O-CB 3.46Å; E32-F37 PolarHBondContact O-N 3.27Å; E32-R294 VanDerWaalsContact CD-NH2 3.32Å; E32-R294 IonicContact OE1-CZ 3.21Å; E32-R294 IonicContact OE1-NE 3.37Å; E32-R294 PolarHBondContact OE1-NE 3.48Å; E32-R294 IonicContact OE1-NH2 2.61Å; E32-R294 PolarHBondContact OE1-NH2 3.05Å; E32-R294 IonicContact OE2-CZ 3.82Å; E32-R294 IonicContact OE2-NE 3.01Å; E32-R294 IonicContact OE2-NH2 3.56Å; E32-R294 PolarHBondContact OE2-NH2 3.39Å; E32-A298 HydrophobicContact CG-CB 4.21Å |
| 33 | V | 96.5 | Very high | 94.1 | Very high | 84 Ų | 84 | 36.6 Ų | 36.6 | 51% | 0.509 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.1 | -43.3 | 179.3 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | K29 L31 Y35 L36 T44 | K29-V33 HydrophobicContact CG-CG2 4.27Å; K29-V33 WeakPolarHBondContact O-CG2 3.25Å; K29-V33 PolarHBondContact O-N 2.96Å; L31-V33 PolarHBondContact O-N 3.24Å; V33-Y35 VanDerWaalsContact C-N 3.29Å; V33-Y35 PolarHBondContact O-N 3.16Å; V33-L36 PolarHBondContact O-N 3.13Å; V33-T44 HydrophobicContact CG2-CG2 4.29Å |
| 34 | S | 96.9 | Very high | 94 | Very high | 33 Ų | 33 | 38.5 Ų | 38.5 | 23% | 0.231 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.2 | -37.3 | -177.9 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | P30 L31 P366 L372 | P30-S34 WeakPolarHBondContact O-CB 3.3Å; P30-S34 PolarHBondContact O-N 3.03Å; P30-S34 VanDerWaalsContact O-N 3.08Å; P30-S34 PolarHBondContact O-OG 2.94Å; L31-S34 PolarHBondContact O-N 3.38Å; S34-P366 WeakPolarHBondContact O-CG 3.47Å; S34-L372 WeakPolarHBondContact OG-CD1 3.45Å |
| 35 | Y | 97.1 | Very high | 93.6 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | 23.1 | -177.9 | -62.1 | -82.3 | 0 | 0 | 0 | 113.4 | L31 V33 F37 H301 A302 I305 P366 L368 K369 L372 | L31-Y35 HydrophobicContact CD1-CD2 3.85Å; L31-Y35 HydrophobicContact CD1-CE2 3.56Å; L31-Y35 HydrophobicContact CG-CD2 4.19Å; L31-Y35 HydrophobicContact CG-CE2 4.39Å; L31-Y35 WeakPolarHBondContact O-CD2 3.28Å; L31-Y35 PolarHBondContact O-N 2.95Å; L31-Y35 VanDerWaalsContact O-N 3.11Å; V33-Y35 VanDerWaalsContact C-N 3.29Å; V33-Y35 PolarHBondContact O-N 3.16Å; Y35-F37 PolarHBondContact O-N 2.85Å; Y35-F37 VanDerWaalsContact O-N 3.12Å; Y35-H301 PolarHBondContact O-CD2 3.22Å; Y35-H301 PolarHBondContact O-NE2 3.13Å; Y35-A302 HydrophobicContact CD1-CB 4.23Å; Y35-A302 HydrophobicContact CD2-CB 3.46Å; Y35-A302 VanDerWaalsContact CD2-CB 3.46Å; Y35-A302 HydrophobicContact CE1-CB 4.36Å; Y35-A302 HydrophobicContact CE2-CB 3.63Å; Y35-A302 HydrophobicContact CG-CB 3.77Å; Y35-I305 HydrophobicContact CD1-CB 4.09Å; Y35-I305 HydrophobicContact CD1-CG2 3.99Å; Y35-P366 HydrophobicContact CD1-CG 4.02Å; Y35-P366 HydrophobicContact CE1-CG 4.36Å; Y35-L368 HydrophobicContact CE1-CD1 4.31Å; Y35-L368 WeakPolarHBondContact OH-CA 3.48Å; Y35-K369 PolarHBondContact OH-N 2.83Å; Y35-L372 HydrophobicContact CE2-CD1 4.4Å |
| 36 | L | 95.8 | Very high | 93.1 | Very high | 44 Ų | 44 | 37.9 Ų | 37.9 | 23% | 0.23 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 29 | 174.1 | -50.1 | 176.4 | 0 | 0 | 0 | 113.5 | E32 V33 P38 Q39 F40 F365 | E32-L36 PolarHBondContact O-N 2.85Å; V33-L36 PolarHBondContact O-N 3.13Å; L36-P38 VanDerWaalsContact C-N 3.3Å; L36-P38 VanDerWaalsContact O-N 3.16Å; L36-Q39 HydrophobicContact CB-CG 4.3Å; L36-Q39 WeakPolarHBondContact O-CB 3.28Å; L36-Q39 PolarHBondContact O-N 3.36Å; L36-F40 HydrophobicContact CB-CE2 4.3Å; L36-F40 WeakPolarHBondContact O-CD2 3.45Å; L36-F365 HydrophobicContact CD1-CD1 4.38Å |
| 37 | F | 95.6 | Very high | 92.4 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -50.1 | -41.1 | -176.3 | -176.9 | -87 | 0 | 0 | 0 | 114 | E32 Y35 Q39 F40 H41 S42 L297 A298 H301 | E32-F37 HydrophobicContact CB-CB 3.82Å; E32-F37 HydrophobicContact CB-CD1 4.37Å; E32-F37 HydrophobicContact CB-CG 4.25Å; E32-F37 HydrophobicContact CG-CB 4.09Å; E32-F37 HydrophobicContact CG-CD1 3.99Å; E32-F37 HydrophobicContact CG-CG 3.98Å; E32-F37 VanDerWaalsContact O-CB 3.26Å; E32-F37 WeakPolarHBondContact O-CB 3.46Å; E32-F37 PolarHBondContact O-N 3.27Å; Y35-F37 PolarHBondContact O-N 2.85Å; Y35-F37 VanDerWaalsContact O-N 3.12Å; F37-Q39 PolarHBondContact O-N 2.95Å; F37-Q39 VanDerWaalsContact O-N 3.15Å; F37-F40 PolarHBondContact O-N 3.36Å; F37-F40 VanDerWaalsContact O-N 3.12Å; F37-H41 HydrophobicContact CD1-CB 4.33Å; F37-H41 AromaticContact CD2-CD2 3.5Å; F37-H41 HydrophobicContact CE1-CB 3.85Å; F37-H41 HydrophobicContact CE2-CB 4.09Å; F37-H41 AromaticContact CE2-CD2 3.44Å; F37-H41 VanDerWaalsContact CE2-CD2 3.44Å; F37-H41 WeakPolarHBondContact CE2-CD2 3.23Å; F37-H41 AromaticContact CE2-CG 3.93Å; F37-H41 HydrophobicContact CZ-CB 3.71Å; F37-H41 AromaticContact CZ-CD2 4Å; F37-H41 PolarHBondContact O-N 2.96Å; F37-S42 WeakPolarHBondContact CE1-OG 3.43Å; F37-L297 HydrophobicContact CE2-CD2 4.28Å; F37-L297 HydrophobicContact CE2-CG 3.98Å; F37-L297 HydrophobicContact CZ-CD2 4.06Å; F37-L297 HydrophobicContact CZ-CG 4.24Å; F37-A298 HydrophobicContact CD2-CB 4.04Å; F37-A298 HydrophobicContact CE2-CB 3.92Å; F37-H301 HydrophobicContact CD2-CB 4.11Å; F37-H301 HydrophobicContact CE2-CB 4.47Å |
| 38 | P | 92.5 | Very high | 91.7 | Very high | 54 Ų | 54 | 34.5 Ų | 34.5 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -58.8 | -23.6 | 175.7 | -28.5 | 39 | 0 | 0 | 0 | 115.9 | L36 F40 S42 T44 | L36-P38 VanDerWaalsContact C-N 3.3Å; L36-P38 VanDerWaalsContact O-N 3.16Å; P38-F40 VanDerWaalsContact C-N 3.33Å; P38-S42 WeakPolarHBondContact CA-O 3.4Å; P38-T44 HydrophobicContact CG-CG2 3.94Å |
| 39 | Q | 91.3 | Very high | 91.1 | Very high | 102 Ų | 102 | 35.9 Ų | 35.9 | 48% | 0.477 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -80.7 | -15.9 | -179.7 | -59.2 | -179.3 | 3.7 | 0 | 0 | 112.9 | L36 F37 | L36-Q39 HydrophobicContact CB-CG 4.3Å; L36-Q39 WeakPolarHBondContact O-CB 3.28Å; L36-Q39 PolarHBondContact O-N 3.36Å; F37-Q39 PolarHBondContact O-N 2.95Å; F37-Q39 VanDerWaalsContact O-N 3.15Å |
| 40 | F | 92 | Very high | 90.6 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 2% | 0.022 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | -38.7 | -175 | -70 | -95 | 0 | 0 | 0 | 113.2 | L36 F37 P38 H301 I305 H352 M353 I356 L357 Q360 F365 | L36-F40 HydrophobicContact CB-CE2 4.3Å; L36-F40 WeakPolarHBondContact O-CD2 3.45Å; F37-F40 PolarHBondContact O-N 3.36Å; F37-F40 VanDerWaalsContact O-N 3.12Å; P38-F40 VanDerWaalsContact C-N 3.33Å; F40-H301 AromaticContact CD1-CE1 3.97Å; F40-H301 AromaticContact CD2-CE1 3.37Å; F40-H301 WeakPolarHBondContact CD2-CE1 3.46Å; F40-H301 AromaticContact CD2-NE2 3.68Å; F40-H301 AromaticContact CE2-CE1 3.9Å; F40-H301 AromaticContact CG-CE1 3.4Å; F40-H301 VanDerWaalsContact CG-CE1 3.4Å; F40-H301 WeakPolarHBondContact CG-CE1 3.39Å; F40-I305 HydrophobicContact CE1-CD1 4.45Å; F40-I305 HydrophobicContact CE2-CD1 4.22Å; F40-I305 HydrophobicContact CZ-CD1 3.92Å; F40-H352 PolarHBondContact O-NE2 2.79Å; F40-H352 VanDerWaalsContact O-NE2 3.14Å; F40-M353 HydrophobicContact CB-SD 4.43Å; F40-M353 HydrophobicContact CD1-CE 3.68Å; F40-M353 HydrophobicContact CD1-SD 3.98Å; F40-M353 HydrophobicContact CE1-CE 4.13Å; F40-I356 HydrophobicContact CD1-CB 4.14Å; F40-I356 HydrophobicContact CD1-CG2 3.45Å; F40-I356 VanDerWaalsContact CD1-CG2 3.45Å; F40-I356 HydrophobicContact CE1-CB 4.43Å; F40-I356 HydrophobicContact CE1-CG2 3.65Å; F40-I356 HydrophobicContact CG-CG2 4.15Å; F40-I356 HydrophobicContact CZ-CG2 4.47Å; F40-I356 WeakPolarHBondContact O-CD1 2.97Å; F40-L357 HydrophobicContact CE1-CD2 3.6Å; F40-L357 HydrophobicContact CE1-CG 4.04Å; F40-L357 HydrophobicContact CZ-CD2 4.07Å; F40-Q360 HydrophobicContact CE1-CG 4.13Å; F40-Q360 HydrophobicContact CZ-CG 3.74Å; F40-F365 HydrophobicContact CZ-CE1 4.26Å; F40-F365 HydrophobicContact CZ-CZ 4.04Å |
| 41 | H | 89.8 | Confident | 90 | Very high | 48 Ų | 48 | 35 Ų | 35 | 22% | 0.222 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -118.5 | -84.3 | -168.2 | -54.8 | -67 | 0 | 0 | 0 | 110.9 | F37 L297 H301 | F37-H41 HydrophobicContact CD1-CB 4.33Å; F37-H41 AromaticContact CD2-CD2 3.5Å; F37-H41 HydrophobicContact CE1-CB 3.85Å; F37-H41 HydrophobicContact CE2-CB 4.09Å; F37-H41 AromaticContact CE2-CD2 3.44Å; F37-H41 VanDerWaalsContact CE2-CD2 3.44Å; F37-H41 WeakPolarHBondContact CE2-CD2 3.23Å; F37-H41 AromaticContact CE2-CG 3.93Å; F37-H41 HydrophobicContact CZ-CB 3.71Å; F37-H41 AromaticContact CZ-CD2 4Å; F37-H41 PolarHBondContact O-N 2.96Å; H41-L297 HydrophobicContact CB-CD2 4.48Å; H41-H301 AromaticContact CD2-CG 3.88Å; H41-H301 AromaticContact CD2-ND1 3.72Å; H41-H301 AromaticContact NE2-CE1 3.69Å; H41-H301 AromaticContact NE2-CG 3.43Å; H41-H301 AromaticContact NE2-ND1 2.96Å; H41-H301 PolarHBondContact NE2-ND1 3.42Å |
| 42 | S | 85.7 | Confident | 89.5 | Confident | 35 Ų | 35 | 36.3 Ų | 36.3 | 25% | 0.245 | 22% | 0.216 | C | C | . | . | trans | -147.4 | 150.7 | -171.6 | 61.9 | 0 | 0 | 0 | 0 | 110.5 | F37 P38 R294 | F37-S42 WeakPolarHBondContact CE1-OG 3.43Å; P38-S42 WeakPolarHBondContact CA-O 3.4Å; S42-R294 PolarHBondContact OG-NH1 3.46Å | ||
| 43 | P | 87.6 | Confident | 89.3 | Confident | 59 Ų | 59 | 39.9 Ų | 39.9 | 38% | 0.383 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -58.8 | 163.5 | 179.8 | 26 | -34.6 | 0 | 0 | 0 | 112.3 | P118 R294 | P43-P118 HydrophobicContact CG-CB 3.99Å; P43-P118 HydrophobicContact CG-CG 3.98Å; P43-R294 PolarHBondContact O-NH2 3.44Å |
| 44 | T | 90.2 | Very high | 89.1 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 26% | 0.258 | 21% | 0.21 | S | C | . | . | P | Polyproline II helix | trans | -63.1 | 144.5 | 170.6 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | Y24 V33 P38 | Y24-T44 VanDerWaalsContact OH-CA 3.28Å; Y24-T44 WeakPolarHBondContact OH-CA 3.33Å; Y24-T44 WeakPolarHBondContact OH-CB 3.48Å; V33-T44 HydrophobicContact CG2-CG2 4.29Å; P38-T44 HydrophobicContact CG-CG2 3.94Å |
| 45 | L | 87.3 | Confident | 89.1 | Confident | 22 Ų | 22 | 34.9 Ų | 34.9 | 12% | 0.115 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 131.3 | -178 | -47.2 | 176.7 | 0 | 0 | 0 | 110.1 | Y24 E49 F50 M291 | Y24-L45 HydrophobicContact CD1-CB 4.21Å; Y24-L45 HydrophobicContact CD1-CD1 4.42Å; Y24-L45 HydrophobicContact CD2-CD1 3.7Å; Y24-L45 HydrophobicContact CD2-CG 4.28Å; Y24-L45 HydrophobicContact CE1-CB 3.7Å; Y24-L45 HydrophobicContact CE1-CD1 4.38Å; Y24-L45 HydrophobicContact CE1-CG 4.12Å; Y24-L45 HydrophobicContact CE2-CB 4.3Å; Y24-L45 HydrophobicContact CE2-CD1 3.69Å; Y24-L45 HydrophobicContact CE2-CG 3.77Å; Y24-L45 HydrophobicContact CG-CD1 4.11Å; Y24-L45 PolarHBondContact OH-N 3.25Å; L45-E49 WeakPolarHBondContact CB-OE2 3.4Å; L45-E49 WeakPolarHBondContact CD2-OE2 3.38Å; L45-F50 HydrophobicContact CB-CE2 3.82Å; L45-F50 HydrophobicContact CB-CZ 4.1Å; L45-F50 HydrophobicContact CD1-CE1 4.46Å; L45-F50 HydrophobicContact CD1-CE2 4.3Å; L45-F50 HydrophobicContact CD1-CZ 3.73Å; L45-M291 HydrophobicContact CD1-CE 4.05Å |
| 46 | D | 82.6 | Confident | 89.1 | Confident | 49 Ų | 49 | 34.9 Ų | 34.9 | 26% | 0.262 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -89 | 163.2 | 172.5 | -87.2 | -30.8 | 0 | 0 | 0 | 111.7 | G48 E49 F50 R117 | D46-G48 PolarHBondContact O-N 3Å; D46-E49 WeakPolarHBondContact O-CB 3.48Å; D46-E49 PolarHBondContact O-N 3.39Å; D46-F50 WeakPolarHBondContact O-CD2 3.48Å; D46-R117 IonicContact OD1-NH1 2.88Å; D46-R117 WeakPolarHBondContact OD2-CD 3.44Å; D46-R117 IonicContact OD2-CZ 2.67Å; D46-R117 IonicContact OD2-NE 2.77Å; D46-R117 IonicContact OD2-NH1 2.67Å; D46-R117 PolarHBondContact OD2-NH1 3.38Å |
| 47 | A | 79.8 | Confident | 89.2 | Confident | 41 Ų | 41 | 32.8 Ų | 32.8 | 34% | 0.339 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -54.7 | -37.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | E49 F50 S51 | A47-E49 PolarHBondContact O-N 3.44Å; A47-F50 PolarHBondContact O-N 3.12Å; A47-S51 PolarHBondContact O-N 3.45Å; A47-S51 PolarHBondContact O-OG 3.07Å |
| 48 | G | 80.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.9 | -23.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D46 S51 S52 A112 Q113 | D46-G48 PolarHBondContact O-N 3Å; G48-S51 WeakPolarHBondContact CA-OG 3.39Å; G48-S52 WeakPolarHBondContact O-CB 3.34Å; G48-S52 PolarHBondContact O-N 3.44Å; G48-A112 PolarHBondContact N-O 3.3Å; G48-Q113 WeakPolarHBondContact CA-O 3.48Å |
| 49 | E | 84.2 | Confident | 89.5 | Confident | 29 Ų | 29 | 30.1 Ų | 30.1 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -75.1 | -30.1 | 177.8 | -62.8 | -175 | -165.5 | 0 | 0 | 112.2 | L45 D46 A47 S52 P115 K287 | L45-E49 WeakPolarHBondContact CB-OE2 3.4Å; L45-E49 WeakPolarHBondContact CD2-OE2 3.38Å; D46-E49 WeakPolarHBondContact O-CB 3.48Å; D46-E49 PolarHBondContact O-N 3.39Å; A47-E49 PolarHBondContact O-N 3.44Å; E49-S52 PolarHBondContact O-OG 3.36Å; E49-P115 HydrophobicContact CG-CB 3.99Å; E49-K287 PolarHBondContact O-NZ 2.67Å |
| 50 | F | 85.6 | Confident | 89.7 | Confident | 13 Ų | 13 | 25.3 Ų | 25.3 | 6% | 0.057 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -76.8 | -41.2 | 175.1 | -64.3 | -84.2 | 0 | 0 | 0 | 111.5 | V17 L20 R21 Y24 L45 D46 A47 K287 M291 | V17-F50 HydrophobicContact CG1-CB 4.07Å; V17-F50 WeakPolarHBondContact CG1-O 3.31Å; L20-F50 HydrophobicContact CB-CD1 4.27Å; L20-F50 HydrophobicContact CB-CE1 4.31Å; R21-F50 HydrophobicContact CB-CB 4.32Å; R21-F50 HydrophobicContact CB-CD1 3.87Å; R21-F50 HydrophobicContact CB-CD2 4.22Å; R21-F50 HydrophobicContact CB-CE1 4.23Å; R21-F50 HydrophobicContact CB-CG 3.86Å; R21-F50 HydrophobicContact CG-CD2 4.04Å; R21-F50 HydrophobicContact CG-CE2 4.33Å; R21-F50 HydrophobicContact CG-CG 4.17Å; Y24-F50 AromaticContact CD1-CE2 3.99Å; Y24-F50 HydrophobicContact CD1-CE2 3.99Å; Y24-F50 AromaticContact CD1-CZ 3.71Å; Y24-F50 HydrophobicContact CD1-CZ 3.71Å; Y24-F50 HydrophobicContact CD2-CZ 4.48Å; Y24-F50 HydrophobicContact CG-CE2 4.39Å; Y24-F50 AromaticContact CG-CZ 3.65Å; Y24-F50 HydrophobicContact CG-CZ 3.65Å; L45-F50 HydrophobicContact CB-CE2 3.82Å; L45-F50 HydrophobicContact CB-CZ 4.1Å; L45-F50 HydrophobicContact CD1-CE1 4.46Å; L45-F50 HydrophobicContact CD1-CE2 4.3Å; L45-F50 HydrophobicContact CD1-CZ 3.73Å; D46-F50 WeakPolarHBondContact O-CD2 3.48Å; A47-F50 PolarHBondContact O-N 3.12Å; F50-K287 PolarHBondContact O-NZ 3.27Å; F50-M291 HydrophobicContact CE1-CE 3.42Å; F50-M291 VanDerWaalsContact CE1-CE 3.42Å; F50-M291 HydrophobicContact CZ-CE 3.84Å |
| 51 | S | 84 | Confident | 89.6 | Confident | 71 Ų | 71 | 25.7 Ų | 25.7 | 50% | 0.497 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -84.9 | -7 | -178.4 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | A47 G48 K53 | A47-S51 PolarHBondContact O-N 3.45Å; A47-S51 PolarHBondContact O-OG 3.07Å; G48-S51 WeakPolarHBondContact CA-OG 3.39Å; S51-K53 PolarHBondContact O-N 3.44Å |
| 52 | S | 87.3 | Confident | 89.5 | Confident | 28 Ų | 28 | 26.5 Ų | 26.5 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 135 | 179.6 | 61.8 | 0 | 0 | 0 | 0 | 112.1 | G48 E49 K287 | G48-S52 WeakPolarHBondContact O-CB 3.34Å; G48-S52 PolarHBondContact O-N 3.44Å; E49-S52 PolarHBondContact O-OG 3.36Å; S52-K287 VanDerWaalsContact O-CE 3.32Å; S52-K287 WeakPolarHBondContact O-CE 3.39Å; S52-K287 PolarHBondContact O-NZ 2.91Å; S52-K287 PolarHBondContact OG-NZ 3Å |
| 53 | K | 91.7 | Very high | 89.6 | Confident | 75 Ų | 75 | 27 Ų | 27 | 33% | 0.326 | 16% | 0.157 | S | C | . | . | P | Polyproline II helix | trans | -71.7 | 159.3 | 169.2 | -58.4 | -178.3 | -168.7 | -177 | 0 | 109.9 | S51 M55 L140 D141 V144 | S51-K53 PolarHBondContact O-N 3.44Å; K53-M55 PolarHBondContact O-N 3.29Å; K53-L140 PolarHBondContact NZ-O 2.96Å; K53-D141 WeakPolarHBondContact CD-O 3.36Å; K53-D141 VanDerWaalsContact CE-O 3.26Å; K53-D141 WeakPolarHBondContact CE-O 3.34Å; K53-D141 VanDerWaalsContact NZ-CA 3.26Å; K53-D141 PolarHBondContact NZ-O 3.26Å; K53-V144 HydrophobicContact CB-CG2 4.26Å |
| 54 | P | 93.7 | Very high | 89.8 | Confident | 7 Ų | 7 | 24.5 Ų | 24.5 | 5% | 0.045 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -54.5 | 133.8 | 174.6 | -25.3 | 33.7 | 0 | 0 | 0 | 112.2 | I143 V144 D177 L279 A283 | P54-I143 HydrophobicContact CB-CG2 4.24Å; P54-I143 CarbonylContact O-C 3.52Å; P54-I143 WeakPolarHBondContact O-CA 3.36Å; P54-V144 PolarHBondContact O-N 3.03Å; P54-D177 WeakPolarHBondContact CA-OD2 3.42Å; P54-D177 HydrophobicContact CB-CB 4.14Å; P54-L279 HydrophobicContact CB-CB 3.96Å; P54-L279 HydrophobicContact CG-CB 4.36Å; P54-A283 HydrophobicContact CG-CB 3.76Å |
| 55 | M | 96.1 | Very high | 90 | Very high | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.03 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.4 | -179.7 | -69.9 | -179.6 | -68.5 | 0 | 0 | 111.1 | K53 P115 F116 V144 I146 H175 V176 D177 R178 | K53-M55 PolarHBondContact O-N 3.29Å; M55-P115 HydrophobicContact SD-CG 4.47Å; M55-F116 HydrophobicContact SD-CE1 3.97Å; M55-F116 HydrophobicContact SD-CZ 4.15Å; M55-V144 CarbonylContact C-O 3.55Å; M55-V144 VanDerWaalsContact CA-O 3.28Å; M55-V144 WeakPolarHBondContact CA-O 3.06Å; M55-V144 HydrophobicContact CG-CB 3.9Å; M55-V144 HydrophobicContact CG-CG1 4.04Å; M55-I146 HydrophobicContact CB-CD1 4.09Å; M55-I146 HydrophobicContact CG-CD1 4.39Å; M55-I146 HydrophobicContact SD-CD1 4.12Å; M55-H175 HydrophobicContact CE-CB 4.11Å; M55-H175 VanDerWaalsContact CE-O 3.23Å; M55-H175 WeakPolarHBondContact CE-O 3.3Å; M55-V176 HydrophobicContact CB-CB 4.06Å; M55-V176 HydrophobicContact CB-CG1 3.69Å; M55-D177 PolarHBondContact N-OD2 2.88Å; M55-D177 PolarHBondContact O-N 3.02Å; M55-R178 PolarHBondContact O-N 3.4Å |
| 56 | V | 97.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 116.2 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | L58 I143 V144 I146 R178 I180 L276 L279 | V56-L58 HydrophobicContact CG1-CD2 4.27Å; V56-I143 HydrophobicContact CG2-CD1 4.3Å; V56-V144 PolarHBondContact N-O 2.65Å; V56-I146 PolarHBondContact O-N 3.1Å; V56-R178 WeakPolarHBondContact CA-O 3.06Å; V56-R178 HydrophobicContact CG1-CB 4.37Å; V56-R178 HydrophobicContact CG2-CB 4.28Å; V56-I180 HydrophobicContact CG1-CD1 3.73Å; V56-I180 HydrophobicContact CG1-CG1 3.88Å; V56-L276 HydrophobicContact CG1-CD2 4.35Å; V56-L276 HydrophobicContact CG2-CD2 4.22Å; V56-L279 HydrophobicContact CG2-CD1 3.49Å; V56-L279 VanDerWaalsContact CG2-CD1 3.49Å |
| 57 | L | 98.2 | Very high | 91 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.9 | 177.1 | -177.5 | 68.2 | 0 | 0 | 0 | 110.4 | L59 I146 T148 V169 F172 V176 R178 I179 I180 | L57-L59 HydrophobicContact CD2-CD1 3.85Å; L57-L59 HydrophobicContact CD2-CD2 4.21Å; L57-L59 HydrophobicContact CD2-CG 3.93Å; L57-L59 HydrophobicContact CG-CD1 4.45Å; L57-L59 HydrophobicContact CG-CD2 4.34Å; L57-L59 HydrophobicContact CG-CG 4.02Å; L57-I146 HydrophobicContact CD1-CB 3.88Å; L57-I146 HydrophobicContact CD1-CD1 4.5Å; L57-I146 HydrophobicContact CD1-CG2 3.59Å; L57-T148 HydrophobicContact CD1-CG2 3.52Å; L57-T148 HydrophobicContact CG-CG2 4.44Å; L57-V169 HydrophobicContact CD2-CG1 4.39Å; L57-F172 HydrophobicContact CD1-CB 3.96Å; L57-F172 HydrophobicContact CD1-CD2 4.47Å; L57-F172 HydrophobicContact CD1-CG 4.16Å; L57-F172 HydrophobicContact CD2-CB 3.79Å; L57-F172 HydrophobicContact CG-CB 4.44Å; L57-V176 HydrophobicContact CB-CB 4.37Å; L57-V176 HydrophobicContact CB-CG1 3.98Å; L57-V176 HydrophobicContact CB-CG2 3.99Å; L57-R178 PolarHBondContact N-O 2.9Å; L57-I179 HydrophobicContact CB-CG1 4.44Å; L57-I179 HydrophobicContact CD2-CG1 4.43Å; L57-I179 HydrophobicContact CD2-CG2 4.31Å; L57-I179 CarbonylContact O-C 3.47Å; L57-I179 WeakPolarHBondContact O-CA 3.37Å; L57-I180 PolarHBondContact O-N 3.44Å |
| 58 | L | 97.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 126.5 | 170.2 | -57.2 | -168.8 | 0 | 0 | 0 | 110.4 | V56 K66 F69 I70 I145 I146 T148 I180 L182 | V56-L58 HydrophobicContact CG1-CD2 4.27Å; L58-K66 HydrophobicContact CB-CB 4.4Å; L58-K66 HydrophobicContact CB-CD 4.34Å; L58-K66 HydrophobicContact CB-CG 4.4Å; L58-K66 HydrophobicContact CD1-CB 4.3Å; L58-F69 HydrophobicContact CD1-CD1 3.88Å; L58-F69 HydrophobicContact CD2-CD1 4.09Å; L58-F69 HydrophobicContact CD2-CE1 4.12Å; L58-I70 HydrophobicContact CD1-CD1 3.74Å; L58-I70 HydrophobicContact CD1-CG1 3.31Å; L58-I70 HydrophobicContact CG-CG1 4.45Å; L58-I145 HydrophobicContact CD1-CG2 4.45Å; L58-I145 HydrophobicContact CG-CG2 4.32Å; L58-I146 PolarHBondContact N-O 3.44Å; L58-T148 WeakPolarHBondContact O-CB 3.46Å; L58-T148 WeakPolarHBondContact O-CG2 3.26Å; L58-T148 PolarHBondContact O-OG1 3.06Å; L58-I180 HydrophobicContact CD2-CB 3.62Å; L58-I180 HydrophobicContact CD2-CD1 3.71Å; L58-I180 HydrophobicContact CD2-CG1 3.94Å; L58-I180 HydrophobicContact CD2-CG2 4.27Å; L58-L182 HydrophobicContact CB-CD1 4.25Å; L58-L182 HydrophobicContact CD2-CD1 4.15Å |
| 59 | L | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 149.5 | 176.4 | -70.2 | 174 | 0 | 0 | 0 | 109.8 | L57 T148 V169 I179 I180 L181 L182 V197 L201 | L57-L59 HydrophobicContact CD2-CD1 3.85Å; L57-L59 HydrophobicContact CD2-CD2 4.21Å; L57-L59 HydrophobicContact CD2-CG 3.93Å; L57-L59 HydrophobicContact CG-CD1 4.45Å; L57-L59 HydrophobicContact CG-CD2 4.34Å; L57-L59 HydrophobicContact CG-CG 4.02Å; L59-T148 HydrophobicContact CD2-CG2 3.92Å; L59-V169 HydrophobicContact CD1-CG1 3.61Å; L59-V169 HydrophobicContact CD2-CB 4.5Å; L59-V169 HydrophobicContact CD2-CG1 3.84Å; L59-V169 HydrophobicContact CD2-CG2 3.77Å; L59-V169 HydrophobicContact CG-CG1 4.37Å; L59-I179 HydrophobicContact CD1-CG2 3.71Å; L59-I179 HydrophobicContact CG-CG2 4.37Å; L59-I180 PolarHBondContact N-O 2.85Å; L59-L181 HydrophobicContact CB-CD2 3.66Å; L59-L181 HydrophobicContact CD1-CD2 3.98Å; L59-L181 HydrophobicContact CG-CD2 4.48Å; L59-L181 WeakPolarHBondContact O-CA 3.36Å; L59-L182 PolarHBondContact O-N 3.46Å; L59-V197 HydrophobicContact CD1-CG1 4.29Å; L59-L201 HydrophobicContact CD1-CD1 3.92Å; L59-L201 HydrophobicContact CD1-CD2 4.35Å |
| 60 | G | 94.2 | Very high | 93 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.1 | 159.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | K66 I151 | G60-K66 PolarHBondContact O-NZ 2.87Å; G60-I151 PolarHBondContact O-N 3.07Å; G60-I151 VanDerWaalsContact O-N 3.11Å |
| 61 | Q | 91.7 | Very high | 93.5 | Very high | 14 Ų | 14 | 22 Ų | 22 | 7% | 0.065 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -61.1 | 174 | 177.8 | -58.7 | -145.6 | 83.6 | 0 | 0 | 112.5 | T64 K66 I151 S153 D189 S191 F194 | Q61-T64 HydrophobicContact CB-CG2 3.95Å; Q61-T64 WeakPolarHBondContact O-CG2 3.45Å; Q61-T64 PolarHBondContact O-OG1 3.35Å; Q61-T64 VanDerWaalsContact O-OG1 3.1Å; Q61-K66 PolarHBondContact O-NZ 3.46Å; Q61-I151 WeakPolarHBondContact CA-O 3.34Å; Q61-S153 PolarHBondContact OE1-OG 3.37Å; Q61-D189 PolarHBondContact NE2-O 2.77Å; Q61-D189 PolarHBondContact NE2-OD2 3.08Å; Q61-S191 VanDerWaalsContact OE1-CB 3.24Å; Q61-S191 PolarHBondContact OE1-OG 3.13Å; Q61-F194 HydrophobicContact CG-CB 4.19Å; Q61-F194 HydrophobicContact CG-CD1 3.37Å; Q61-F194 HydrophobicContact CG-CE1 3.9Å; Q61-F194 HydrophobicContact CG-CG 3.99Å |
| 62 | Y | 86.8 | Confident | 94.1 | Very high | 64 Ų | 64 | 21.1 Ų | 21.1 | 25% | 0.251 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 142.9 | 175.2 | -174 | -109.7 | 0 | 0 | 0 | 112.4 | T64 G84 P85 E86 P87 I151 | Y62-T64 PolarHBondContact O-N 3.3Å; Y62-G84 PolarHBondContact OH-O 3.38Å; Y62-P85 WeakPolarHBondContact CE1-O 3.36Å; Y62-P85 PolarHBondContact OH-O 3.27Å; Y62-E86 VanDerWaalsContact OH-CA 3.26Å; Y62-E86 WeakPolarHBondContact OH-CA 3.44Å; Y62-E86 PolarHBondContact OH-N 2.98Å; Y62-E86 PolarHBondContact OH-O 2.95Å; Y62-P87 HydrophobicContact CD1-CG 4.24Å; Y62-P87 HydrophobicContact CD2-CB 4.26Å; Y62-P87 HydrophobicContact CD2-CG 4.2Å; Y62-P87 HydrophobicContact CE1-CG 4.07Å; Y62-P87 HydrophobicContact CE2-CB 4.14Å; Y62-P87 HydrophobicContact CE2-CG 4.18Å; Y62-P87 HydrophobicContact CG-CG 4.34Å; Y62-I151 PolarHBondContact N-O 2.86Å; Y62-I151 VanDerWaalsContact N-O 3.15Å |
| 63 | S | 87.6 | Confident | 94.4 | Very high | 46 Ų | 46 | 19.9 Ų | 19.9 | 32% | 0.322 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 11.8 | -177.1 | -60.1 | 0 | 0 | 0 | 0 | 118 | G65 K214 | S63-G65 PolarHBondContact O-N 3.49Å; S63-G65 VanDerWaalsContact O-N 3.14Å; S63-K214 WeakPolarHBondContact O-CE 3.44Å; S63-K214 PolarHBondContact O-NZ 3.03Å |
| 64 | T | 92.8 | Very high | 94.6 | Very high | 6 Ų | 6 | 16.5 Ų | 16.5 | 4% | 0.037 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -67.8 | -12.2 | 177.2 | 59.3 | 0 | 0 | 0 | 0 | 114.3 | Q61 Y62 D184 N213 | Q61-T64 HydrophobicContact CB-CG2 3.95Å; Q61-T64 WeakPolarHBondContact O-CG2 3.45Å; Q61-T64 PolarHBondContact O-OG1 3.35Å; Q61-T64 VanDerWaalsContact O-OG1 3.1Å; Y62-T64 PolarHBondContact O-N 3.3Å; T64-D184 HydrophobicContact CG2-CB 4.32Å; T64-N213 PolarHBondContact O-ND2 3.22Å |
| 65 | G | 93.5 | Very high | 94.6 | Very high | 11 Ų | 11 | 18.8 Ų | 18.8 | 11% | 0.113 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 99.8 | 21.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S63 T68 F69 | S63-G65 PolarHBondContact O-N 3.49Å; S63-G65 VanDerWaalsContact O-N 3.14Å; G65-T68 PolarHBondContact O-N 2.9Å; G65-F69 VanDerWaalsContact O-CB 3.3Å; G65-F69 WeakPolarHBondContact O-CB 3.44Å; G65-F69 PolarHBondContact O-N 2.74Å |
| 66 | K | 95.2 | Very high | 94.5 | Very high | 12 Ų | 12 | 20.4 Ų | 20.4 | 5% | 0.052 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -52.1 | -58.2 | 178.5 | -60.8 | -175 | -66.2 | -66.2 | 0 | 113.4 | L58 G60 Q61 T68 F69 I70 D147 T148 L182 | L58-K66 HydrophobicContact CB-CB 4.4Å; L58-K66 HydrophobicContact CB-CD 4.34Å; L58-K66 HydrophobicContact CB-CG 4.4Å; L58-K66 HydrophobicContact CD1-CB 4.3Å; G60-K66 PolarHBondContact O-NZ 2.87Å; Q61-K66 PolarHBondContact O-NZ 3.46Å; K66-T68 VanDerWaalsContact C-N 3.28Å; K66-T68 PolarHBondContact O-N 3.4Å; K66-F69 VanDerWaalsContact O-CB 3.31Å; K66-F69 WeakPolarHBondContact O-CB 3.35Å; K66-F69 PolarHBondContact O-N 3.41Å; K66-F69 VanDerWaalsContact O-N 3.09Å; K66-I70 WeakPolarHBondContact O-CG1 3.3Å; K66-I70 PolarHBondContact O-N 3.49Å; K66-D147 WeakPolarHBondContact CB-OD1 3.33Å; K66-T148 WeakPolarHBondContact CE-O 3.44Å; K66-L182 HydrophobicContact CG-CD1 4.25Å; K66-L182 HydrophobicContact CG-CD2 4.24Å |
| 67 | T | 95.2 | Very high | 94.3 | Very high | 12 Ų | 12 | 23.1 Ų | 23.1 | 7% | 0.074 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62 | -36.3 | 179.6 | -48.2 | 0 | 0 | 0 | 0 | 112.3 | I70 K71 F78 M81 I83 T89 D147 | T67-I70 PolarHBondContact O-N 2.91Å; T67-K71 PolarHBondContact O-N 2.9Å; T67-F78 HydrophobicContact CG2-CE1 4.39Å; T67-F78 HydrophobicContact CG2-CZ 4.01Å; T67-M81 HydrophobicContact CG2-CB 4.04Å; T67-I83 HydrophobicContact CG2-CD1 4.4Å; T67-I83 HydrophobicContact CG2-CG1 3.78Å; T67-T89 PolarHBondContact OG1-OG1 3.23Å; T67-D147 WeakPolarHBondContact CA-OD2 3.36Å; T67-D147 WeakPolarHBondContact CB-OD2 3.46Å; T67-D147 PolarHBondContact OG1-OD2 3.09Å |
| 68 | T | 95.4 | Very high | 94.1 | Very high | 33 Ų | 33 | 23.5 Ų | 23.5 | 20% | 0.202 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.8 | -40.9 | 174.2 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | G65 K66 I70 K71 Y72 W252 | G65-T68 PolarHBondContact O-N 2.9Å; K66-T68 VanDerWaalsContact C-N 3.28Å; K66-T68 PolarHBondContact O-N 3.4Å; T68-I70 VanDerWaalsContact C-N 3.34Å; T68-I70 PolarHBondContact O-N 3.34Å; T68-K71 WeakPolarHBondContact O-CB 3.39Å; T68-K71 PolarHBondContact O-N 2.91Å; T68-Y72 WeakPolarHBondContact O-CB 3.39Å; T68-Y72 PolarHBondContact O-N 3.31Å; T68-W252 HydrophobicContact CG2-CB 3.9Å |
| 69 | F | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 176.1 | -178.4 | -89.6 | 0 | 0 | 0 | 111 | L58 G65 K66 Y72 L73 I180 L182 F251 L272 | L58-F69 HydrophobicContact CD1-CD1 3.88Å; L58-F69 HydrophobicContact CD2-CD1 4.09Å; L58-F69 HydrophobicContact CD2-CE1 4.12Å; G65-F69 VanDerWaalsContact O-CB 3.3Å; G65-F69 WeakPolarHBondContact O-CB 3.44Å; G65-F69 PolarHBondContact O-N 2.74Å; K66-F69 VanDerWaalsContact O-CB 3.31Å; K66-F69 WeakPolarHBondContact O-CB 3.35Å; K66-F69 PolarHBondContact O-N 3.41Å; K66-F69 VanDerWaalsContact O-N 3.09Å; F69-Y72 WeakPolarHBondContact O-CB 3.41Å; F69-Y72 PolarHBondContact O-N 3.5Å; F69-L73 HydrophobicContact CD1-CD1 3.9Å; F69-L73 HydrophobicContact CD1-CG 4.17Å; F69-L73 HydrophobicContact CE1-CD1 3.39Å; F69-L73 HydrophobicContact CE1-CD2 4.36Å; F69-L73 HydrophobicContact CE1-CG 3.86Å; F69-L73 HydrophobicContact CZ-CD1 4.09Å; F69-L73 HydrophobicContact CZ-CD2 4.27Å; F69-L73 HydrophobicContact CZ-CG 4.24Å; F69-L73 WeakPolarHBondContact O-CG 3.38Å; F69-L73 PolarHBondContact O-N 3.02Å; F69-I180 HydrophobicContact CE1-CD1 3.79Å; F69-I180 HydrophobicContact CZ-CD1 4.05Å; F69-L182 HydrophobicContact CB-CD2 4.04Å; F69-L182 HydrophobicContact CD2-CD2 4.44Å; F69-L182 HydrophobicContact CG-CD2 4.25Å; F69-F251 HydrophobicContact CD2-CB 3.37Å; F69-F251 HydrophobicContact CD2-CD1 4.09Å; F69-F251 HydrophobicContact CD2-CD2 4.08Å; F69-F251 AromaticContact CD2-CG 3.58Å; F69-F251 HydrophobicContact CD2-CG 3.58Å; F69-F251 HydrophobicContact CE2-CB 3.82Å; F69-F251 AromaticContact CE2-CD1 3.58Å; F69-F251 HydrophobicContact CE2-CD1 3.58Å; F69-F251 AromaticContact CE2-CD2 3.99Å; F69-F251 HydrophobicContact CE2-CD2 3.99Å; F69-F251 HydrophobicContact CE2-CE1 4.13Å; F69-F251 AromaticContact CE2-CG 3.5Å; F69-F251 HydrophobicContact CE2-CG 3.5Å; F69-F251 HydrophobicContact CG-CB 4.43Å; F69-L272 HydrophobicContact CE2-CD2 3.98Å; F69-L272 HydrophobicContact CZ-CD2 3.84Å |
| 70 | I | 96.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62 | -49.9 | 173.8 | -58.2 | 177.9 | 0 | 0 | 0 | 110.7 | L58 K66 T67 T68 Y72 L73 L74 F78 I145 D147 | L58-I70 HydrophobicContact CD1-CD1 3.74Å; L58-I70 HydrophobicContact CD1-CG1 3.31Å; L58-I70 HydrophobicContact CG-CG1 4.45Å; K66-I70 WeakPolarHBondContact O-CG1 3.3Å; K66-I70 PolarHBondContact O-N 3.49Å; T67-I70 PolarHBondContact O-N 2.91Å; T68-I70 VanDerWaalsContact C-N 3.34Å; T68-I70 PolarHBondContact O-N 3.34Å; I70-Y72 PolarHBondContact O-N 2.98Å; I70-L73 PolarHBondContact O-N 2.99Å; I70-L73 VanDerWaalsContact O-N 3.16Å; I70-L74 HydrophobicContact CG2-CD1 3.81Å; I70-L74 HydrophobicContact CG2-CG 4.11Å; I70-L74 VanDerWaalsContact O-CG 3.31Å; I70-L74 WeakPolarHBondContact O-CG 3.06Å; I70-L74 PolarHBondContact O-N 3.47Å; I70-F78 HydrophobicContact CB-CE1 3.82Å; I70-F78 HydrophobicContact CD1-CE1 4.39Å; I70-F78 HydrophobicContact CD1-CZ 4.37Å; I70-F78 HydrophobicContact CG2-CD1 3.79Å; I70-F78 HydrophobicContact CG2-CE1 3.42Å; I70-F78 VanDerWaalsContact CG2-CE1 3.42Å; I70-F78 HydrophobicContact CG2-CZ 4.31Å; I70-I145 HydrophobicContact CD1-CG2 3.81Å; I70-I145 HydrophobicContact CG1-CG2 3.83Å; I70-I145 HydrophobicContact CG2-CD1 4.35Å; I70-I145 HydrophobicContact CG2-CG2 4.42Å; I70-D147 HydrophobicContact CD1-CB 3.41Å; I70-D147 VanDerWaalsContact CD1-CB 3.41Å |
| 71 | K | 95.9 | Very high | 93.3 | Very high | 76 Ų | 76 | 29 Ų | 29 | 33% | 0.33 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -54.8 | -44.1 | 177.7 | -177 | -172.9 | 172.2 | -172.6 | 0 | 111.1 | T67 T68 L74 G75 S76 M81 I83 | T67-K71 PolarHBondContact O-N 2.9Å; T68-K71 WeakPolarHBondContact O-CB 3.39Å; T68-K71 PolarHBondContact O-N 2.91Å; K71-L74 PolarHBondContact O-N 3.26Å; K71-G75 PolarHBondContact O-N 3.22Å; K71-S76 WeakPolarHBondContact CG-O 3.05Å; K71-S76 PolarHBondContact O-N 3.49Å; K71-M81 HydrophobicContact CB-CE 4.05Å; K71-M81 HydrophobicContact CD-SD 4.47Å; K71-M81 HydrophobicContact CG-CE 4.32Å; K71-I83 HydrophobicContact CD-CD1 4.19Å |
| 72 | Y | 95.3 | Very high | 93 | Very high | 52 Ų | 52 | 33.9 Ų | 33.9 | 20% | 0.204 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 177 | 177.4 | -91.3 | 0 | 0 | 0 | 111.6 | T68 F69 I70 L74 G75 F251 W252 D253 F273 A410 | T68-Y72 WeakPolarHBondContact O-CB 3.39Å; T68-Y72 PolarHBondContact O-N 3.31Å; F69-Y72 WeakPolarHBondContact O-CB 3.41Å; F69-Y72 PolarHBondContact O-N 3.5Å; I70-Y72 PolarHBondContact O-N 2.98Å; Y72-L74 VanDerWaalsContact C-N 3.32Å; Y72-L74 PolarHBondContact O-N 3.19Å; Y72-G75 PolarHBondContact O-N 3.4Å; Y72-F251 HydrophobicContact CD1-CB 4.17Å; Y72-F251 HydrophobicContact CE1-CD1 4.3Å; Y72-F251 HydrophobicContact CG-CB 4.48Å; Y72-W252 VanDerWaalsContact CD2-C 3.45Å; Y72-D253 VanDerWaalsContact CD2-OD1 3.24Å; Y72-D253 WeakPolarHBondContact CD2-OD1 3.12Å; Y72-F273 HydrophobicContact CD1-CZ 4.4Å; Y72-F273 HydrophobicContact CE1-CE1 4.38Å; Y72-F273 HydrophobicContact CE1-CE2 4.12Å; Y72-F273 AromaticContact CE1-CZ 3.51Å; Y72-F273 HydrophobicContact CE1-CZ 3.51Å; Y72-A410 HydrophobicContact CD1-CB 4.23Å; Y72-A410 HydrophobicContact CE1-CB 3.77Å |
| 73 | L | 95.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.6 | -43 | 176.8 | -72.7 | -175.1 | 0 | 0 | 0 | 112.7 | F69 I70 G75 I145 F273 L276 G409 A410 F411 | F69-L73 HydrophobicContact CD1-CD1 3.9Å; F69-L73 HydrophobicContact CD1-CG 4.17Å; F69-L73 HydrophobicContact CE1-CD1 3.39Å; F69-L73 HydrophobicContact CE1-CD2 4.36Å; F69-L73 HydrophobicContact CE1-CG 3.86Å; F69-L73 HydrophobicContact CZ-CD1 4.09Å; F69-L73 HydrophobicContact CZ-CD2 4.27Å; F69-L73 HydrophobicContact CZ-CG 4.24Å; F69-L73 WeakPolarHBondContact O-CG 3.38Å; F69-L73 PolarHBondContact O-N 3.02Å; I70-L73 PolarHBondContact O-N 2.99Å; I70-L73 VanDerWaalsContact O-N 3.16Å; L73-G75 VanDerWaalsContact C-N 3.33Å; L73-I145 HydrophobicContact CD1-CD1 4.24Å; L73-F273 HydrophobicContact CD2-CD1 3.99Å; L73-F273 HydrophobicContact CD2-CE1 3.62Å; L73-F273 HydrophobicContact CD2-CZ 4.42Å; L73-L276 HydrophobicContact CD1-CD1 4.33Å; L73-G409 WeakPolarHBondContact O-CA 3.4Å; L73-A410 PolarHBondContact O-N 3.39Å; L73-A410 VanDerWaalsContact O-N 3.07Å; L73-F411 HydrophobicContact CB-CE2 4.4Å; L73-F411 HydrophobicContact CD2-CE2 4.16Å; L73-F411 HydrophobicContact CD2-CZ 3.92Å |
| 74 | L | 95 | Very high | 92.4 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -75.4 | -22.1 | -178.8 | -63.4 | -175.4 | 0 | 0 | 0 | 113.1 | I70 K71 Y72 S76 F78 V95 N137 V139 L140 I145 | I70-L74 HydrophobicContact CG2-CD1 3.81Å; I70-L74 HydrophobicContact CG2-CG 4.11Å; I70-L74 VanDerWaalsContact O-CG 3.31Å; I70-L74 WeakPolarHBondContact O-CG 3.06Å; I70-L74 PolarHBondContact O-N 3.47Å; K71-L74 PolarHBondContact O-N 3.26Å; Y72-L74 VanDerWaalsContact C-N 3.32Å; Y72-L74 PolarHBondContact O-N 3.19Å; L74-S76 PolarHBondContact O-N 2.58Å; L74-F78 HydrophobicContact CD1-CB 4.37Å; L74-F78 HydrophobicContact CD1-CD1 4Å; L74-V95 HydrophobicContact CD1-CG1 4.11Å; L74-N137 PolarHBondContact O-ND2 3.08Å; L74-V139 HydrophobicContact CD2-CB 3.82Å; L74-V139 HydrophobicContact CD2-CG1 3.84Å; L74-V139 HydrophobicContact CD2-CG2 4.49Å; L74-L140 HydrophobicContact CD1-CD1 4.4Å; L74-L140 HydrophobicContact CD2-CD1 4.3Å; L74-L140 HydrophobicContact CD2-CD2 3.78Å; L74-L140 HydrophobicContact CD2-CG 3.77Å; L74-I145 HydrophobicContact CD2-CD1 4.22Å |
| 75 | G | 93.7 | Very high | 91.2 | Very high | 55 Ų | 55 | 38.8 Ų | 38.8 | 57% | 0.567 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 8.8 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | K71 Y72 L73 | K71-G75 PolarHBondContact O-N 3.22Å; Y72-G75 PolarHBondContact O-N 3.4Å; L73-G75 VanDerWaalsContact C-N 3.33Å |
| 76 | S | 93.1 | Very high | 90.1 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 29% | 0.287 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -150.5 | 161 | -174.6 | 74.2 | 0 | 0 | 0 | 0 | 112 | K71 L74 N137 | K71-S76 WeakPolarHBondContact CG-O 3.05Å; K71-S76 PolarHBondContact O-N 3.49Å; L74-S76 PolarHBondContact O-N 2.58Å; S76-N137 PolarHBondContact OG-ND2 2.76Å |
| 77 | A | 94 | Very high | 88.9 | Confident | 58 Ų | 58 | 49 Ų | 49 | 48% | 0.479 | 30% | 0.299 | S | S | . | . | trans | -68.4 | 163.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M81 | A77-M81 HydrophobicContact CB-CE 4.1Å; A77-M81 HydrophobicContact CB-SD 3.54Å; A77-M81 VanDerWaalsContact CB-SD 3.54Å | ||
| 78 | F | 94.5 | Very high | 87.6 | Confident | 8 Ų | 8 | 49.8 Ų | 49.8 | 4% | 0.035 | 31% | 0.305 | C | S | . | . | trans | -135 | 151.7 | 173.6 | 64 | -98.9 | 0 | 0 | 0 | 109.7 | T67 I70 L74 G80 M81 V95 C133 V135 | T67-F78 HydrophobicContact CG2-CE1 4.39Å; T67-F78 HydrophobicContact CG2-CZ 4.01Å; I70-F78 HydrophobicContact CB-CE1 3.82Å; I70-F78 HydrophobicContact CD1-CE1 4.39Å; I70-F78 HydrophobicContact CD1-CZ 4.37Å; I70-F78 HydrophobicContact CG2-CD1 3.79Å; I70-F78 HydrophobicContact CG2-CE1 3.42Å; I70-F78 VanDerWaalsContact CG2-CE1 3.42Å; I70-F78 HydrophobicContact CG2-CZ 4.31Å; L74-F78 HydrophobicContact CD1-CB 4.37Å; L74-F78 HydrophobicContact CD1-CD1 4Å; F78-G80 PolarHBondContact O-N 2.93Å; F78-M81 HydrophobicContact CB-CE 4.33Å; F78-M81 HydrophobicContact CD1-CB 4.41Å; F78-M81 HydrophobicContact CD1-CE 3.05Å; F78-M81 HydrophobicContact CD2-CB 4.03Å; F78-M81 HydrophobicContact CD2-CE 4.33Å; F78-M81 HydrophobicContact CE1-CB 4.09Å; F78-M81 HydrophobicContact CE1-CE 3.2Å; F78-M81 HydrophobicContact CE2-CB 3.71Å; F78-M81 HydrophobicContact CE2-CE 4.46Å; F78-M81 HydrophobicContact CG-CB 4.35Å; F78-M81 HydrophobicContact CG-CE 3.66Å; F78-M81 HydrophobicContact CZ-CB 3.74Å; F78-M81 HydrophobicContact CZ-CE 3.95Å; F78-M81 WeakPolarHBondContact O-CB 3.22Å; F78-M81 VanDerWaalsContact O-CG 3.3Å; F78-M81 WeakPolarHBondContact O-CG 3.42Å; F78-M81 PolarHBondContact O-N 3.29Å; F78-V95 HydrophobicContact CB-CG1 4.12Å; F78-V95 HydrophobicContact CD1-CG1 4.37Å; F78-V95 HydrophobicContact CD1-CG2 4.4Å; F78-V95 HydrophobicContact CD2-CG1 4.36Å; F78-V95 HydrophobicContact CD2-CG2 3.85Å; F78-V95 HydrophobicContact CE1-CG2 4.34Å; F78-V95 HydrophobicContact CE2-CG2 3.75Å; F78-V95 HydrophobicContact CG-CG1 4.05Å; F78-V95 HydrophobicContact CG-CG2 4.21Å; F78-V95 HydrophobicContact CZ-CG2 4.01Å; F78-C133 HydrophobicContact CD2-CB 4.11Å; F78-V135 HydrophobicContact CB-CG1 4.04Å | ||
| 79 | P | 93 | Very high | 86.3 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 14% | 0.143 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 138.2 | -177.3 | -29 | 37.2 | 0 | 0 | 0 | 113.3 | M81 E100 I102 C133 Q134 | P79-M81 PolarHBondContact O-N 2.89Å; P79-E100 HydrophobicContact CG-CG 3.8Å; P79-I102 HydrophobicContact CB-CD1 4.15Å; P79-I102 HydrophobicContact CB-CG1 3.77Å; P79-C133 WeakPolarHBondContact O-CB 3.29Å; P79-C133 PolarHBondContact O-SG 3.24Å; P79-Q134 WeakPolarHBondContact CG-O 3.48Å |
| 80 | G | 87.9 | Confident | 85.7 | Confident | 49 Ų | 49 | 52.6 Ų | 52.6 | 51% | 0.505 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | 3.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | F78 | F78-G80 PolarHBondContact O-N 2.93Š|
| 81 | M | 90.3 | Very high | 85.4 | Confident | 45 Ų | 45 | 57 Ų | 57 | 22% | 0.222 | 34% | 0.336 | C | S | . | . | trans | -67.1 | 139.2 | 172.2 | 76.2 | 167.1 | 33.7 | 0 | 0 | 111.4 | T67 K71 A77 F78 P79 | T67-M81 HydrophobicContact CG2-CB 4.04Å; K71-M81 HydrophobicContact CB-CE 4.05Å; K71-M81 HydrophobicContact CD-SD 4.47Å; K71-M81 HydrophobicContact CG-CE 4.32Å; A77-M81 HydrophobicContact CB-CE 4.1Å; A77-M81 HydrophobicContact CB-SD 3.54Å; A77-M81 VanDerWaalsContact CB-SD 3.54Å; F78-M81 HydrophobicContact CB-CE 4.33Å; F78-M81 HydrophobicContact CD1-CB 4.41Å; F78-M81 HydrophobicContact CD1-CE 3.05Å; F78-M81 HydrophobicContact CD2-CB 4.03Å; F78-M81 HydrophobicContact CD2-CE 4.33Å; F78-M81 HydrophobicContact CE1-CB 4.09Å; F78-M81 HydrophobicContact CE1-CE 3.2Å; F78-M81 HydrophobicContact CE2-CB 3.71Å; F78-M81 HydrophobicContact CE2-CE 4.46Å; F78-M81 HydrophobicContact CG-CB 4.35Å; F78-M81 HydrophobicContact CG-CE 3.66Å; F78-M81 HydrophobicContact CZ-CB 3.74Å; F78-M81 HydrophobicContact CZ-CE 3.95Å; F78-M81 WeakPolarHBondContact O-CB 3.22Å; F78-M81 VanDerWaalsContact O-CG 3.3Å; F78-M81 WeakPolarHBondContact O-CG 3.42Å; F78-M81 PolarHBondContact O-N 3.29Å; P79-M81 PolarHBondContact O-N 2.89Å | ||
| 82 | H | 85.5 | Confident | 85.4 | Confident | 116 Ų | 116 | 53.3 Ų | 53.3 | 54% | 0.537 | 32% | 0.32 | S | S | . | . | trans | -139.2 | 114.6 | 169 | -169.1 | 50.3 | 0 | 0 | 0 | 109.9 | T88 | H82-T88 WeakPolarHBondContact CD2-CB 3.29Å; H82-T88 WeakPolarHBondContact CD2-CG2 3.35Å; H82-T88 WeakPolarHBondContact O-CB 3.38Å; H82-T88 PolarHBondContact O-OG1 3.42Å | ||
| 83 | I | 83.5 | Confident | 85.5 | Confident | 79 Ų | 79 | 51 Ų | 51 | 41% | 0.405 | 31% | 0.312 | S | S | . | . | trans | -105.9 | 116.8 | 179.3 | -60.3 | 173.4 | 0 | 0 | 0 | 107.7 | T67 K71 | T67-I83 HydrophobicContact CG2-CD1 4.4Å; T67-I83 HydrophobicContact CG2-CG1 3.78Å; K71-I83 HydrophobicContact CD-CD1 4.19Å | ||
| 84 | G | 77.5 | Confident | 85.6 | Confident | 25 Ų | 25 | 51 Ų | 51 | 26% | 0.258 | 31% | 0.311 | S | S | . | . | trans | -153.1 | 168.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y62 | Y62-G84 PolarHBondContact OH-O 3.38Š| ||
| 85 | P | 68.9 | Low | 85.7 | Confident | 114 Ų | 114 | 50.8 Ų | 50.8 | 74% | 0.74 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -80.5 | -14.3 | 176.2 | 33.3 | -35 | 0 | 0 | 0 | 113 | Y62 | Y62-P85 WeakPolarHBondContact CE1-O 3.36Å; Y62-P85 PolarHBondContact OH-O 3.27Å |
| 86 | E | 71.1 | Confident | 85.8 | Confident | 150 Ų | 150 | 49.9 Ų | 49.9 | 70% | 0.701 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -98 | 153.5 | 173.6 | -63.1 | 177.3 | -176.9 | 0 | 0 | 112.1 | Y62 T88 | Y62-E86 VanDerWaalsContact OH-CA 3.26Å; Y62-E86 WeakPolarHBondContact OH-CA 3.44Å; Y62-E86 PolarHBondContact OH-N 2.98Å; Y62-E86 PolarHBondContact OH-O 2.95Å; E86-T88 VanDerWaalsContact C-N 3.3Å; E86-T88 WeakPolarHBondContact O-CG2 3.32Å; E86-T88 PolarHBondContact O-N 3.47Å |
| 87 | P | 69.1 | Low | 85.9 | Confident | 87 Ų | 87 | 49.2 Ų | 49.2 | 57% | 0.565 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -45.3 | 82.2 | 179.1 | -30.8 | 37.8 | 0 | 0 | 0 | 115.8 | Y62 | Y62-P87 HydrophobicContact CD1-CG 4.24Å; Y62-P87 HydrophobicContact CD2-CB 4.26Å; Y62-P87 HydrophobicContact CD2-CG 4.2Å; Y62-P87 HydrophobicContact CE1-CG 4.07Å; Y62-P87 HydrophobicContact CE2-CB 4.14Å; Y62-P87 HydrophobicContact CE2-CG 4.18Å; Y62-P87 HydrophobicContact CG-CG 4.34Å |
| 88 | T | 66.8 | Low | 85.9 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 18% | 0.184 | 27% | 0.273 | C | S | . | . | trans | -88.1 | -44.6 | -170.1 | 53.5 | 0 | 0 | 0 | 0 | 112.3 | H82 E86 D90 | H82-T88 WeakPolarHBondContact CD2-CB 3.29Å; H82-T88 WeakPolarHBondContact CD2-CG2 3.35Å; H82-T88 WeakPolarHBondContact O-CB 3.38Å; H82-T88 PolarHBondContact O-OG1 3.42Å; E86-T88 VanDerWaalsContact C-N 3.3Å; E86-T88 WeakPolarHBondContact O-CG2 3.32Å; E86-T88 PolarHBondContact O-N 3.47Å; T88-D90 PolarHBondContact O-N 3.2Å | ||
| 89 | T | 69.5 | Low | 85.8 | Confident | 28 Ų | 28 | 52 Ų | 52 | 17% | 0.172 | 30% | 0.299 | C | S | . | . | trans | -89.7 | 99.3 | -178.6 | -50.2 | 0 | 0 | 0 | 0 | 109.4 | T67 P149 | T67-T89 PolarHBondContact OG1-OG1 3.23Å; T89-P149 WeakPolarHBondContact O-CA 3.42Å | ||
| 90 | D | 83.1 | Confident | 85.8 | Confident | 64 Ų | 64 | 58.7 Ų | 58.7 | 34% | 0.342 | 33% | 0.328 | S | S | . | . | trans | -102.9 | 5.9 | 178.1 | 78.4 | -45.7 | 0 | 0 | 0 | 113.4 | T88 R129 | T88-D90 PolarHBondContact O-N 3.2Å; D90-R129 IonicContact OD2-NH1 3.3Å; D90-R129 PolarHBondContact OD2-NH1 3.41Å | ||
| 91 | R | 91.4 | Very high | 86.1 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 34% | 0.343 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -128.2 | 147.5 | -173.5 | -53.2 | 176.3 | -176.5 | -102.1 | -14.8 | 112.5 | S93 N128 R129 | R91-S93 PolarHBondContact O-N 2.91Å; R91-N128 PolarHBondContact NH1-O 2.69Å; R91-R129 CarbonylContact C-O 3.16Å; R91-R129 WeakPolarHBondContact CA-O 3.36Å; R91-R129 WeakPolarHBondContact CB-O 3.23Å; R91-R129 HydrophobicContact CG-CB 4.43Å |
| 92 | F | 95.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 120.2 | 160.7 | -75 | -99.5 | 0 | 0 | 0 | 108.6 | F126 R129 F130 Q131 D147 T148 P149 Y163 F165 V168 V169 F172 | F92-F126 HydrophobicContact CB-CE2 4.39Å; F92-F126 HydrophobicContact CD2-CD2 4.37Å; F92-F126 AromaticContact CD2-CE2 3.67Å; F92-F126 HydrophobicContact CD2-CE2 3.67Å; F92-F126 HydrophobicContact CE2-CE2 4.08Å; F92-F126 HydrophobicContact CG-CE2 4.04Å; F92-R129 PolarHBondContact N-O 3.45Å; F92-F130 HydrophobicContact CB-CD2 3.7Å; F92-F130 HydrophobicContact CB-CE2 4.36Å; F92-F130 WeakPolarHBondContact O-CA 3.45Å; F92-Q131 PolarHBondContact O-N 2.7Å; F92-D147 WeakPolarHBondContact CA-O 3.36Å; F92-T148 HydrophobicContact CD1-CG2 3.77Å; F92-T148 HydrophobicContact CE1-CG2 3.61Å; F92-P149 HydrophobicContact CD2-CG 3.86Å; F92-P149 HydrophobicContact CE2-CG 3.91Å; F92-Y163 AromaticContact CE2-CE2 3.84Å; F92-Y163 HydrophobicContact CE2-CE2 3.84Å; F92-Y163 WeakPolarHBondContact CE2-OH 3.42Å; F92-F165 HydrophobicContact CE1-CE2 4.37Å; F92-F165 AromaticContact CE2-CD2 3.78Å; F92-F165 HydrophobicContact CE2-CD2 3.78Å; F92-F165 AromaticContact CE2-CE2 3.76Å; F92-F165 HydrophobicContact CE2-CE2 3.76Å; F92-F165 AromaticContact CZ-CD2 3.62Å; F92-F165 HydrophobicContact CZ-CD2 3.62Å; F92-F165 AromaticContact CZ-CE2 3.38Å; F92-F165 HydrophobicContact CZ-CE2 3.38Å; F92-F165 HydrophobicContact CZ-CZ 4.18Å; F92-V168 HydrophobicContact CD1-CG1 4.28Å; F92-V168 HydrophobicContact CE1-CG1 3.76Å; F92-V168 HydrophobicContact CE2-CG1 4.08Å; F92-V168 HydrophobicContact CZ-CB 4.31Å; F92-V168 HydrophobicContact CZ-CG1 3.63Å; F92-V169 HydrophobicContact CE1-CG2 4.4Å; F92-V169 HydrophobicContact CZ-CG2 4.34Å; F92-F172 HydrophobicContact CD1-CD2 4.21Å; F92-F172 AromaticContact CD1-CE2 3.64Å; F92-F172 HydrophobicContact CD1-CE2 3.64Å; F92-F172 HydrophobicContact CD1-CZ 4.45Å; F92-F172 HydrophobicContact CE1-CD2 4.15Å; F92-F172 AromaticContact CE1-CE2 3.98Å; F92-F172 HydrophobicContact CE1-CE2 3.98Å; F92-F172 HydrophobicContact CG-CE2 4.44Å |
| 93 | S | 96.4 | Very high | 86.9 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.028 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 113 | -177.6 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | R91 V95 Q131 I146 D147 | R91-S93 PolarHBondContact O-N 2.91Å; S93-V95 PolarHBondContact O-N 2.89Å; S93-Q131 WeakPolarHBondContact CA-O 3.41Å; S93-Q131 PolarHBondContact OG-NE2 2.86Å; S93-I146 WeakPolarHBondContact O-CA 3.4Å; S93-D147 PolarHBondContact N-O 3.14Å; S93-D147 PolarHBondContact O-N 3.03Å |
| 94 | V | 97.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 107.4 | 171.4 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | F116 F130 Q131 C132 C133 V144 I146 | V94-F116 HydrophobicContact CB-CZ 4.34Å; V94-F116 HydrophobicContact CG1-CE1 4.43Å; V94-F116 HydrophobicContact CG1-CE2 3.83Å; V94-F116 HydrophobicContact CG1-CZ 3.53Å; V94-F116 HydrophobicContact CG2-CE1 4.1Å; V94-F116 HydrophobicContact CG2-CE2 4.29Å; V94-F116 HydrophobicContact CG2-CZ 3.93Å; V94-F130 HydrophobicContact CG2-CE2 3.52Å; V94-F130 HydrophobicContact CG2-CZ 3.84Å; V94-Q131 PolarHBondContact N-O 3.08Å; V94-C132 HydrophobicContact CB-CB 4.22Å; V94-C132 CarbonylContact O-C 3.6Å; V94-C132 VanDerWaalsContact O-CA 3.28Å; V94-C132 WeakPolarHBondContact O-CA 3.34Å; V94-C133 PolarHBondContact O-N 3.44Å; V94-V144 HydrophobicContact CG1-CG1 3.49Å; V94-V144 VanDerWaalsContact CG1-CG1 3.49Å; V94-I146 HydrophobicContact CG2-CG1 4.45Å |
| 95 | V | 97.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 114.8 | 176.6 | -169.3 | 0 | 0 | 0 | 0 | 108.7 | L74 F78 S93 C133 L140 I145 | L74-V95 HydrophobicContact CD1-CG1 4.11Å; F78-V95 HydrophobicContact CB-CG1 4.12Å; F78-V95 HydrophobicContact CD1-CG1 4.37Å; F78-V95 HydrophobicContact CD1-CG2 4.4Å; F78-V95 HydrophobicContact CD2-CG1 4.36Å; F78-V95 HydrophobicContact CD2-CG2 3.85Å; F78-V95 HydrophobicContact CE1-CG2 4.34Å; F78-V95 HydrophobicContact CE2-CG2 3.75Å; F78-V95 HydrophobicContact CG-CG1 4.05Å; F78-V95 HydrophobicContact CG-CG2 4.21Å; F78-V95 HydrophobicContact CZ-CG2 4.01Å; S93-V95 PolarHBondContact O-N 2.89Å; V95-C133 WeakPolarHBondContact CA-O 3.35Å; V95-C133 HydrophobicContact CG2-CB 4.46Å; V95-L140 HydrophobicContact CG1-CD1 3.75Å; V95-L140 HydrophobicContact CG1-CD2 4.08Å; V95-I145 HydrophobicContact CB-CB 4.49Å; V95-I145 PolarHBondContact N-O 3.17Å; V95-I145 PolarHBondContact O-N 3.28Å |
| 96 | M | 96.2 | Very high | 89.7 | Confident | 36 Ų | 36 | 52.2 Ų | 52.2 | 18% | 0.177 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 162.6 | -176.4 | 68.2 | 179.6 | -65.3 | 0 | 0 | 112.6 | K114 C132 C133 Q134 V135 V144 | M96-K114 HydrophobicContact CE-CD 4.48Å; M96-K114 HydrophobicContact SD-CD 4.07Å; M96-C132 VanDerWaalsContact CG-SG 3.5Å; M96-C132 PolarHBondContact SD-SG 3.28Å; M96-C133 PolarHBondContact N-O 3.31Å; M96-Q134 HydrophobicContact CG-CG 4.11Å; M96-Q134 WeakPolarHBondContact O-CA 3.37Å; M96-V135 PolarHBondContact O-N 3.3Å; M96-V144 HydrophobicContact CB-CG1 4.26Å; M96-V144 HydrophobicContact CB-CG2 3.82Å |
| 97 | S | 95.3 | Very high | 90.9 | Very high | 28 Ų | 28 | 47.4 Ų | 47.4 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -68.7 | 140.8 | 175.9 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | V135 L140 D141 | S97-V135 WeakPolarHBondContact CA-O 3.29Å; S97-L140 VanDerWaalsContact CB-O 3.25Å; S97-L140 WeakPolarHBondContact CB-O 3.2Å; S97-D141 VanDerWaalsContact CB-OD1 3.29Å; S97-D141 WeakPolarHBondContact CB-OD1 3.27Å; S97-D141 PolarHBondContact OG-OD1 3.47Å |
| 98 | G | 93.6 | Very high | 92.1 | Very high | 18 Ų | 18 | 43.3 Ų | 43.3 | 19% | 0.186 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 166 | 179.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V135 R136 | G98-V135 CarbonylContact O-C 3.4Å; G98-R136 WeakPolarHBondContact O-CG 3.45Å; G98-R136 PolarHBondContact O-N 3.29Å |
| 99 | D | 92.4 | Very high | 93.4 | Very high | 106 Ų | 106 | 42.6 Ų | 42.6 | 57% | 0.567 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -66 | 140 | 171.7 | -65.7 | -34.5 | 0 | 0 | 0 | 110.1 | G101 Q134 R136 | D99-G101 PolarHBondContact O-N 3.07Å; D99-G101 VanDerWaalsContact O-N 3.17Å; D99-Q134 WeakPolarHBondContact O-CB 3.25Å; D99-R136 IonicContact OD1-CZ 3.43Å; D99-R136 IonicContact OD1-NE 2.86Å; D99-R136 PolarHBondContact OD1-NE 2.92Å; D99-R136 IonicContact OD1-NH2 2.7Å; D99-R136 PolarHBondContact OD1-NH2 2.9Å |
| 100 | E | 91.8 | Very high | 94.4 | Very high | 162 Ų | 162 | 46.1 Ų | 46.1 | 76% | 0.757 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -58.6 | 120.9 | -170.4 | -169.1 | 174.9 | 174.7 | 0 | 0 | 111.4 | P79 Q134 | P79-E100 HydrophobicContact CG-CG 3.8Å; E100-Q134 WeakPolarHBondContact CA-O 3.47Å |
| 101 | G | 94.5 | Very high | 94.7 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 26% | 0.258 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.5 | 176 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D99 Q134 | D99-G101 PolarHBondContact O-N 3.07Å; D99-G101 VanDerWaalsContact O-N 3.17Å; G101-Q134 PolarHBondContact N-O 3.39Å; G101-Q134 VanDerWaalsContact N-O 3.11Å; G101-Q134 PolarHBondContact O-N 3.27Å |
| 102 | I | 96.4 | Very high | 94.5 | Very high | 80 Ų | 80 | 42.3 Ų | 42.3 | 41% | 0.41 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.1 | 176.7 | -58.6 | 175.6 | 0 | 0 | 0 | 108.7 | P79 Q131 C132 | P79-I102 HydrophobicContact CB-CD1 4.15Å; P79-I102 HydrophobicContact CB-CG1 3.77Å; I102-Q131 HydrophobicContact CG2-CB 4.06Å; I102-C132 CarbonylContact C-O 3.55Å; I102-C132 WeakPolarHBondContact CA-O 3.31Å |
| 103 | I | 96.2 | Very high | 94.1 | Very high | 38 Ų | 38 | 48.6 Ų | 48.6 | 20% | 0.195 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 116.9 | 171.7 | -56.8 | 175.1 | 0 | 0 | 0 | 108.2 | A107 L108 Q131 C132 Q134 | I103-A107 HydrophobicContact CG2-CB 3.88Å; I103-L108 HydrophobicContact CG2-CB 4.19Å; I103-Q131 WeakPolarHBondContact O-CA 3.42Å; I103-C132 HydrophobicContact CB-CB 4.22Å; I103-C132 PolarHBondContact N-O 3.07Å; I103-C132 PolarHBondContact O-N 3.33Å; I103-Q134 VanDerWaalsContact CD1-OE1 3.25Å |
| 104 | P | 96.4 | Very high | 93.8 | Very high | 80 Ų | 80 | 49.6 Ų | 49.6 | 52% | 0.519 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 151 | 175.5 | -20.2 | 31.2 | 0 | 0 | 0 | 112.5 | N106 A107 L108 | P104-N106 VanDerWaalsContact C-N 3.31Å; P104-N106 PolarHBondContact O-N 3.47Å; P104-A107 PolarHBondContact O-N 2.83Å; P104-L108 PolarHBondContact O-N 3.38Å |
| 105 | G | 96.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.9 | -40.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A107 L108 V109 L127 F130 | G105-A107 VanDerWaalsContact C-N 3.3Å; G105-A107 PolarHBondContact O-N 3.39Å; G105-L108 WeakPolarHBondContact O-CB 3.43Å; G105-L108 PolarHBondContact O-N 3.25Å; G105-L108 VanDerWaalsContact O-N 3.1Å; G105-V109 WeakPolarHBondContact O-CG1 3.47Å; G105-V109 WeakPolarHBondContact O-CG2 3.25Å; G105-V109 PolarHBondContact O-N 2.89Å; G105-L127 WeakPolarHBondContact CA-O 3.3Å; G105-F130 WeakPolarHBondContact CA-O 3.47Å; G105-F130 PolarHBondContact N-O 3.01Å |
| 106 | N | 95.7 | Very high | 93.2 | Very high | 69 Ų | 69 | 50.3 Ų | 50.3 | 37% | 0.369 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.4 | -37.1 | 176.5 | -69.7 | -51.4 | 0 | 0 | 0 | 112.9 | P104 L127 N128 | P104-N106 VanDerWaalsContact C-N 3.31Å; P104-N106 PolarHBondContact O-N 3.47Å; N106-L127 VanDerWaalsContact OD1-CB 3.29Å; N106-L127 WeakPolarHBondContact OD1-CB 3.34Å; N106-L127 VanDerWaalsContact OD1-CD1 3.28Å; N106-L127 WeakPolarHBondContact OD1-CD1 3.39Å; N106-N128 PolarHBondContact ND2-OD1 3.49Å |
| 107 | A | 96.2 | Very high | 93 | Very high | 49 Ų | 49 | 52.3 Ų | 52.3 | 41% | 0.405 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -78.5 | -31.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | I103 P104 G105 V110 | I103-A107 HydrophobicContact CG2-CB 3.88Å; P104-A107 PolarHBondContact O-N 2.83Å; G105-A107 VanDerWaalsContact C-N 3.3Å; G105-A107 PolarHBondContact O-N 3.39Å; A107-V110 WeakPolarHBondContact O-CG2 3.41Å; A107-V110 PolarHBondContact O-N 3.12Å |
| 108 | L | 94.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.8 | -38.4 | -179.3 | -173.1 | 57.3 | 0 | 0 | 0 | 112.7 | I103 P104 G105 V110 D111 K114 F116 F130 C132 | I103-L108 HydrophobicContact CG2-CB 4.19Å; P104-L108 PolarHBondContact O-N 3.38Å; G105-L108 WeakPolarHBondContact O-CB 3.43Å; G105-L108 PolarHBondContact O-N 3.25Å; G105-L108 VanDerWaalsContact O-N 3.1Å; L108-V110 VanDerWaalsContact C-N 3.26Å; L108-V110 PolarHBondContact O-N 3.24Å; L108-D111 PolarHBondContact O-N 3.28Å; L108-K114 HydrophobicContact CD1-CD 3.45Å; L108-K114 VanDerWaalsContact CD1-CD 3.45Å; L108-F116 HydrophobicContact CD1-CD2 3.81Å; L108-F116 HydrophobicContact CD1-CE2 4.49Å; L108-F116 HydrophobicContact CD2-CD2 4.02Å; L108-F116 HydrophobicContact CD2-CG 4.39Å; L108-F116 HydrophobicContact CG-CB 4.13Å; L108-F116 HydrophobicContact CG-CD2 3.89Å; L108-F116 HydrophobicContact CG-CG 4.33Å; L108-F130 HydrophobicContact CB-CE1 4.49Å; L108-F130 HydrophobicContact CD2-CD1 4.1Å; L108-F130 HydrophobicContact CD2-CE1 3.42Å; L108-F130 VanDerWaalsContact CD2-CE1 3.42Å; L108-F130 HydrophobicContact CD2-CE2 4.24Å; L108-F130 HydrophobicContact CD2-CZ 3.5Å; L108-F130 VanDerWaalsContact CD2-CZ 3.5Å; L108-F130 HydrophobicContact CG-CE1 4.08Å; L108-F130 HydrophobicContact CG-CZ 4.46Å; L108-C132 HydrophobicContact CD1-CB 3.78Å; L108-C132 HydrophobicContact CD2-CB 3.54Å; L108-C132 HydrophobicContact CG-CB 4.28Å |
| 109 | V | 93.6 | Very high | 92.8 | Very high | 15 Ų | 15 | 50.9 Ų | 50.9 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -1.9 | -177.5 | -59.6 | 0 | 0 | 0 | 0 | 114.6 | G105 F116 R117 L119 L127 F130 | G105-V109 WeakPolarHBondContact O-CG1 3.47Å; G105-V109 WeakPolarHBondContact O-CG2 3.25Å; G105-V109 PolarHBondContact O-N 2.89Å; V109-F116 WeakPolarHBondContact CG1-O 3.16Å; V109-R117 WeakPolarHBondContact O-CA 3.32Å; V109-R117 WeakPolarHBondContact O-CB 3.49Å; V109-R117 VanDerWaalsContact O-CG 3.29Å; V109-R117 WeakPolarHBondContact O-CG 3.37Å; V109-L119 HydrophobicContact CG1-CB 4.16Å; V109-L127 HydrophobicContact CB-CD2 4.43Å; V109-L127 HydrophobicContact CG1-CD2 3.5Å; V109-L127 VanDerWaalsContact CG1-CD2 3.5Å; V109-L127 HydrophobicContact CG2-CD1 4.14Å; V109-L127 HydrophobicContact CG2-CD2 4.12Å; V109-F130 HydrophobicContact CG1-CD1 4.46Å; V109-F130 HydrophobicContact CG1-CE1 4.28Å |
| 110 | V | 92.3 | Very high | 92.8 | Very high | 101 Ų | 101 | 48.9 Ų | 48.9 | 61% | 0.612 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -15 | 172.7 | -63.7 | 0 | 0 | 0 | 0 | 112.8 | A107 L108 A112 R117 | A107-V110 WeakPolarHBondContact O-CG2 3.41Å; A107-V110 PolarHBondContact O-N 3.12Å; L108-V110 VanDerWaalsContact C-N 3.26Å; L108-V110 PolarHBondContact O-N 3.24Å; V110-A112 PolarHBondContact O-N 2.71Å; V110-R117 PolarHBondContact O-NE 2.96Å; V110-R117 PolarHBondContact O-NH2 2.73Å |
| 111 | D | 89.7 | Confident | 92.7 | Very high | 46 Ų | 46 | 47.6 Ų | 47.6 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | trans | -74.2 | 116.2 | -178.6 | -172.5 | -9.4 | 0 | 0 | 0 | 112 | L108 Q113 K114 R117 | L108-D111 PolarHBondContact O-N 3.28Å; D111-Q113 VanDerWaalsContact C-N 3.26Å; D111-Q113 PolarHBondContact O-N 3.13Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.13Å; D111-Q113 PolarHBondContact OD1-N 2.87Å; D111-K114 PolarHBondContact O-N 2.96Å; D111-K114 IonicContact OD2-NZ 2.75Å; D111-K114 PolarHBondContact OD2-NZ 2.77Å; D111-R117 WeakPolarHBondContact O-CG 3.4Å; D111-R117 PolarHBondContact O-NE 2.81Å | ||
| 112 | A | 86 | Confident | 92.7 | Very high | 30 Ų | 30 | 48.3 Ų | 48.3 | 25% | 0.248 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | G48 V110 R117 | G48-A112 PolarHBondContact N-O 3.3Å; V110-A112 PolarHBondContact O-N 2.71Å; A112-R117 VanDerWaalsContact CA-NE 3.32Å; A112-R117 VanDerWaalsContact CB-NH2 3.26Å |
| 113 | Q | 86.9 | Confident | 92.5 | Very high | 131 Ų | 131 | 45.8 Ų | 45.8 | 61% | 0.612 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7 | -176.5 | -57.8 | -57.9 | -33.7 | 0 | 0 | 111.7 | G48 D111 | G48-Q113 WeakPolarHBondContact CA-O 3.48Å; D111-Q113 VanDerWaalsContact C-N 3.26Å; D111-Q113 PolarHBondContact O-N 3.13Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.13Å; D111-Q113 PolarHBondContact OD1-N 2.87Å |
| 114 | K | 89.7 | Confident | 92.3 | Very high | 25 Ų | 25 | 49 Ų | 49 | 11% | 0.109 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -117.4 | 145 | 179.5 | -62.3 | -169.7 | -175.9 | 88.9 | 0 | 111.1 | M96 L108 D111 F116 | M96-K114 HydrophobicContact CE-CD 4.48Å; M96-K114 HydrophobicContact SD-CD 4.07Å; L108-K114 HydrophobicContact CD1-CD 3.45Å; L108-K114 VanDerWaalsContact CD1-CD 3.45Å; D111-K114 PolarHBondContact O-N 2.96Å; D111-K114 IonicContact OD2-NZ 2.75Å; D111-K114 PolarHBondContact OD2-NZ 2.77Å; K114-F116 HydrophobicContact CB-CD2 3.8Å; K114-F116 HydrophobicContact CB-CE2 4.23Å; K114-F116 HydrophobicContact CD-CD2 4.37Å; K114-F116 HydrophobicContact CD-CE2 4.46Å; K114-F116 PolarHBondContact O-N 2.68Å |
| 115 | P | 90.7 | Very high | 92.2 | Very high | 12 Ų | 12 | 49.7 Ų | 49.7 | 8% | 0.078 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 16.9 | -173.9 | 34.6 | -39.2 | 0 | 0 | 0 | 113.9 | E49 M55 W171 | E49-P115 HydrophobicContact CG-CB 3.99Å; M55-P115 HydrophobicContact SD-CG 4.47Å; P115-W171 WeakPolarHBondContact O-CH2 3.47Å |
| 116 | F | 93.5 | Very high | 92.1 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -4.4 | -167.6 | -56.4 | -56.8 | 0 | 0 | 0 | 114.1 | M55 V94 L108 V109 K114 P118 L119 F130 W171 F172 | M55-F116 HydrophobicContact SD-CE1 3.97Å; M55-F116 HydrophobicContact SD-CZ 4.15Å; V94-F116 HydrophobicContact CB-CZ 4.34Å; V94-F116 HydrophobicContact CG1-CE1 4.43Å; V94-F116 HydrophobicContact CG1-CE2 3.83Å; V94-F116 HydrophobicContact CG1-CZ 3.53Å; V94-F116 HydrophobicContact CG2-CE1 4.1Å; V94-F116 HydrophobicContact CG2-CE2 4.29Å; V94-F116 HydrophobicContact CG2-CZ 3.93Å; L108-F116 HydrophobicContact CD1-CD2 3.81Å; L108-F116 HydrophobicContact CD1-CE2 4.49Å; L108-F116 HydrophobicContact CD2-CD2 4.02Å; L108-F116 HydrophobicContact CD2-CG 4.39Å; L108-F116 HydrophobicContact CG-CB 4.13Å; L108-F116 HydrophobicContact CG-CD2 3.89Å; L108-F116 HydrophobicContact CG-CG 4.33Å; V109-F116 WeakPolarHBondContact CG1-O 3.16Å; K114-F116 HydrophobicContact CB-CD2 3.8Å; K114-F116 HydrophobicContact CB-CE2 4.23Å; K114-F116 HydrophobicContact CD-CD2 4.37Å; K114-F116 HydrophobicContact CD-CE2 4.46Å; K114-F116 PolarHBondContact O-N 2.68Å; F116-P118 VanDerWaalsContact C-N 3.31Å; F116-L119 HydrophobicContact CB-CD1 4.15Å; F116-L119 HydrophobicContact CD1-CD1 4.05Å; F116-L119 VanDerWaalsContact O-CB 3.23Å; F116-L119 WeakPolarHBondContact O-CB 3.32Å; F116-L119 PolarHBondContact O-N 3.31Å; F116-F130 HydrophobicContact CB-CE1 4.15Å; F116-F130 HydrophobicContact CB-CZ 4.18Å; F116-F130 HydrophobicContact CD1-CZ 4.1Å; F116-F130 HydrophobicContact CG-CZ 4.08Å; F116-W171 HydrophobicContact CD1-CH2 4.3Å; F116-W171 HydrophobicContact CD1-CZ3 4.5Å; F116-F172 HydrophobicContact CE1-CE1 4.43Å |
| 117 | R | 91.5 | Very high | 92.1 | Very high | 77 Ų | 77 | 46.8 Ų | 46.8 | 29% | 0.291 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -53.3 | -39.9 | 178.3 | -58.1 | 178.7 | 138.4 | -175.8 | -1.7 | 114.1 | D46 V109 V110 D111 A112 L119 S120 | D46-R117 IonicContact OD1-NH1 2.88Å; D46-R117 WeakPolarHBondContact OD2-CD 3.44Å; D46-R117 IonicContact OD2-CZ 2.67Å; D46-R117 IonicContact OD2-NE 2.77Å; D46-R117 IonicContact OD2-NH1 2.67Å; D46-R117 PolarHBondContact OD2-NH1 3.38Å; V109-R117 WeakPolarHBondContact O-CA 3.32Å; V109-R117 WeakPolarHBondContact O-CB 3.49Å; V109-R117 VanDerWaalsContact O-CG 3.29Å; V109-R117 WeakPolarHBondContact O-CG 3.37Å; V110-R117 PolarHBondContact O-NE 2.96Å; V110-R117 PolarHBondContact O-NH2 2.73Å; D111-R117 WeakPolarHBondContact O-CG 3.4Å; D111-R117 PolarHBondContact O-NE 2.81Å; A112-R117 VanDerWaalsContact CA-NE 3.32Å; A112-R117 VanDerWaalsContact CB-NH2 3.26Å; R117-L119 PolarHBondContact O-N 3.03Å; R117-S120 WeakPolarHBondContact O-CB 3.37Å; R117-S120 PolarHBondContact O-N 3.17Å; R117-S120 PolarHBondContact O-OG 3.01Å |
| 118 | P | 90.5 | Very high | 92 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -59.9 | -19.3 | 177.1 | -26.9 | 37.7 | 0 | 0 | 0 | 114.6 | P43 F116 S120 K121 W171 | P43-P118 HydrophobicContact CG-CB 3.99Å; P43-P118 HydrophobicContact CG-CG 3.98Å; F116-P118 VanDerWaalsContact C-N 3.31Å; P118-S120 PolarHBondContact O-N 3.37Å; P118-K121 WeakPolarHBondContact O-CD 3.41Å; P118-K121 VanDerWaalsContact O-CG 3.26Å; P118-K121 WeakPolarHBondContact O-CG 2.94Å; P118-K121 PolarHBondContact O-N 2.91Å; P118-W171 HydrophobicContact CB-CZ2 3.91Å; P118-W171 HydrophobicContact CG-CZ2 4.2Å |
| 119 | L | 93.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -70.5 | -13.3 | 177 | -68.5 | 173.7 | 0 | 0 | 0 | 113.5 | V109 F116 R117 K121 F122 F126 F130 W171 F172 | V109-L119 HydrophobicContact CG1-CB 4.16Å; F116-L119 HydrophobicContact CB-CD1 4.15Å; F116-L119 HydrophobicContact CD1-CD1 4.05Å; F116-L119 VanDerWaalsContact O-CB 3.23Å; F116-L119 WeakPolarHBondContact O-CB 3.32Å; F116-L119 PolarHBondContact O-N 3.31Å; R117-L119 PolarHBondContact O-N 3.03Å; L119-K121 PolarHBondContact O-N 2.87Å; L119-K121 VanDerWaalsContact O-N 3.13Å; L119-F122 HydrophobicContact CB-CD2 4.47Å; L119-F122 HydrophobicContact CD2-CD2 3.76Å; L119-F122 HydrophobicContact CD2-CE2 3.61Å; L119-F122 PolarHBondContact O-N 2.86Å; L119-F122 VanDerWaalsContact O-N 3.11Å; L119-F126 HydrophobicContact CB-CE1 3.94Å; L119-F126 HydrophobicContact CD1-CE1 4.33Å; L119-F126 HydrophobicContact CD1-CZ 4.37Å; L119-F126 HydrophobicContact CD2-CE1 4.28Å; L119-F126 HydrophobicContact CD2-CZ 4.39Å; L119-F126 HydrophobicContact CG-CE1 4.44Å; L119-F130 HydrophobicContact CB-CE1 4.45Å; L119-F130 HydrophobicContact CD1-CD1 4.29Å; L119-F130 HydrophobicContact CD1-CE1 3.43Å; L119-F130 VanDerWaalsContact CD1-CE1 3.43Å; L119-F130 HydrophobicContact CD1-CE2 4.01Å; L119-F130 HydrophobicContact CD1-CZ 3.28Å; L119-W171 HydrophobicContact CD1-CE3 4.23Å; L119-W171 HydrophobicContact CD1-CH2 4.12Å; L119-W171 HydrophobicContact CD1-CZ3 3.76Å; L119-W171 HydrophobicContact CD2-CD2 3.5Å; L119-W171 VanDerWaalsContact CD2-CD2 3.5Å; L119-W171 HydrophobicContact CD2-CE3 3.3Å; L119-W171 HydrophobicContact CD2-CG 4.11Å; L119-W171 HydrophobicContact CD2-CH2 4.22Å; L119-W171 HydrophobicContact CD2-CZ2 4.39Å; L119-W171 HydrophobicContact CD2-CZ3 3.69Å; L119-W171 HydrophobicContact CG-CD2 4.17Å; L119-W171 HydrophobicContact CG-CE3 3.88Å; L119-W171 HydrophobicContact CG-CH2 3.86Å; L119-W171 HydrophobicContact CG-CZ2 4.16Å; L119-W171 HydrophobicContact CG-CZ3 3.71Å; L119-F172 HydrophobicContact CD1-CE1 4.29Å; L119-F172 HydrophobicContact CD1-CZ 3.82Å |
| 120 | S | 92.5 | Very high | 92.1 | Very high | 64 Ų | 64 | 51.1 Ų | 51.1 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -55 | -27.9 | 173 | 56.2 | 0 | 0 | 0 | 0 | 113 | R117 P118 F122 G123 | R117-S120 WeakPolarHBondContact O-CB 3.37Å; R117-S120 PolarHBondContact O-N 3.17Å; R117-S120 PolarHBondContact O-OG 3.01Å; P118-S120 PolarHBondContact O-N 3.37Å; S120-F122 PolarHBondContact O-N 3.43Å; S120-F122 VanDerWaalsContact O-N 3.15Å; S120-G123 PolarHBondContact O-N 3.47Å |
| 121 | K | 91.3 | Very high | 92.2 | Very high | 135 Ų | 135 | 47.3 Ų | 47.3 | 59% | 0.587 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -59.9 | -22.5 | 177.5 | 76.8 | -173.8 | 179.9 | 172.8 | 0 | 114.4 | P118 L119 G123 | P118-K121 WeakPolarHBondContact O-CD 3.41Å; P118-K121 VanDerWaalsContact O-CG 3.26Å; P118-K121 WeakPolarHBondContact O-CG 2.94Å; P118-K121 PolarHBondContact O-N 2.91Å; L119-K121 PolarHBondContact O-N 2.87Å; L119-K121 VanDerWaalsContact O-N 3.13Å; K121-G123 VanDerWaalsContact C-N 3.28Å |
| 122 | F | 92.9 | Very high | 92.6 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 17% | 0.171 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -81.9 | -6.7 | 178.9 | -65.7 | -69.1 | 0 | 0 | 0 | 113.3 | L119 S120 F126 A167 V168 W171 | L119-F122 HydrophobicContact CB-CD2 4.47Å; L119-F122 HydrophobicContact CD2-CD2 3.76Å; L119-F122 HydrophobicContact CD2-CE2 3.61Å; L119-F122 PolarHBondContact O-N 2.86Å; L119-F122 VanDerWaalsContact O-N 3.11Å; S120-F122 PolarHBondContact O-N 3.43Å; S120-F122 VanDerWaalsContact O-N 3.15Å; F122-F126 HydrophobicContact CB-CB 3.69Å; F122-F126 HydrophobicContact CB-CD1 3.65Å; F122-F126 HydrophobicContact CB-CG 3.75Å; F122-F126 HydrophobicContact CD2-CD1 4.38Å; F122-F126 HydrophobicContact CG-CD1 4.39Å; F122-A167 HydrophobicContact CE1-CB 3.77Å; F122-A167 HydrophobicContact CZ-CB 4.37Å; F122-A167 WeakPolarHBondContact CZ-O 3.24Å; F122-V168 HydrophobicContact CB-CG2 4.39Å; F122-V168 HydrophobicContact CD1-CG2 3.61Å; F122-V168 HydrophobicContact CD2-CG2 3.83Å; F122-V168 HydrophobicContact CE1-CG2 3.7Å; F122-V168 HydrophobicContact CE2-CB 4.47Å; F122-V168 HydrophobicContact CE2-CG2 3.91Å; F122-V168 HydrophobicContact CG-CG2 3.68Å; F122-V168 HydrophobicContact CZ-CB 4.34Å; F122-V168 HydrophobicContact CZ-CG2 3.84Å; F122-W171 HydrophobicContact CE2-CB 4.16Å; F122-W171 HydrophobicContact CE2-CG 4.33Å; F122-W171 HydrophobicContact CZ-CB 4.14Å |
| 123 | G | 92.4 | Very high | 93.1 | Very high | 28 Ų | 28 | 43.7 Ų | 43.7 | 29% | 0.289 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | 72.7 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S120 K121 N125 F126 L127 | S120-G123 PolarHBondContact O-N 3.47Å; K121-G123 VanDerWaalsContact C-N 3.28Å; G123-N125 VanDerWaalsContact C-N 3.32Å; G123-N125 PolarHBondContact O-N 2.99Å; G123-F126 PolarHBondContact O-N 3.47Å; G123-F126 VanDerWaalsContact O-N 3.15Å; G123-L127 WeakPolarHBondContact O-CG 3.48Å; G123-L127 PolarHBondContact O-N 3.36Å |
| 124 | N | 93.4 | Very high | 93.6 | Very high | 105 Ų | 105 | 39.1 Ų | 39.1 | 56% | 0.561 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -61.3 | -32.9 | -167.2 | -71.2 | -23.3 | 0 | 0 | 0 | 114.6 | F126 L127 N128 | N124-F126 VanDerWaalsContact C-N 3.3Å; N124-F126 PolarHBondContact O-N 3.35Å; N124-L127 PolarHBondContact O-N 3.12Å; N124-N128 VanDerWaalsContact O-CB 3.31Å; N124-N128 WeakPolarHBondContact O-CB 3.37Å; N124-N128 PolarHBondContact O-N 3.32Å; N124-N128 PolarHBondContact O-ND2 3.11Å |
| 125 | N | 93 | Very high | 93.9 | Very high | 94 Ų | 94 | 38.7 Ų | 38.7 | 50% | 0.503 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.3 | -40.7 | 178.5 | -69.5 | -17.7 | 0 | 0 | 0 | 111.8 | G123 G162 | G123-N125 VanDerWaalsContact C-N 3.32Å; G123-N125 PolarHBondContact O-N 2.99Å; N125-G162 WeakPolarHBondContact CB-O 3.5Å; N125-G162 PolarHBondContact ND2-O 2.87Å |
| 126 | F | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.5 | -48 | 172.7 | 168.9 | -103.2 | 0 | 0 | 0 | 111.4 | F92 L119 F122 G123 N124 N128 R129 F130 Y163 V168 | F92-F126 HydrophobicContact CB-CE2 4.39Å; F92-F126 HydrophobicContact CD2-CD2 4.37Å; F92-F126 AromaticContact CD2-CE2 3.67Å; F92-F126 HydrophobicContact CD2-CE2 3.67Å; F92-F126 HydrophobicContact CE2-CE2 4.08Å; F92-F126 HydrophobicContact CG-CE2 4.04Å; L119-F126 HydrophobicContact CB-CE1 3.94Å; L119-F126 HydrophobicContact CD1-CE1 4.33Å; L119-F126 HydrophobicContact CD1-CZ 4.37Å; L119-F126 HydrophobicContact CD2-CE1 4.28Å; L119-F126 HydrophobicContact CD2-CZ 4.39Å; L119-F126 HydrophobicContact CG-CE1 4.44Å; F122-F126 HydrophobicContact CB-CB 3.69Å; F122-F126 HydrophobicContact CB-CD1 3.65Å; F122-F126 HydrophobicContact CB-CG 3.75Å; F122-F126 HydrophobicContact CD2-CD1 4.38Å; F122-F126 HydrophobicContact CG-CD1 4.39Å; G123-F126 PolarHBondContact O-N 3.47Å; G123-F126 VanDerWaalsContact O-N 3.15Å; N124-F126 VanDerWaalsContact C-N 3.3Å; N124-F126 PolarHBondContact O-N 3.35Å; F126-N128 PolarHBondContact O-N 3Å; F126-R129 CarbonylContact O-C 3.55Å; F126-R129 WeakPolarHBondContact O-CA 3.18Å; F126-R129 PolarHBondContact O-N 3.31Å; F126-F130 HydrophobicContact CD1-CB 4.41Å; F126-F130 HydrophobicContact CE1-CB 3.84Å; F126-F130 AromaticContact CE1-CD1 3.84Å; F126-F130 HydrophobicContact CE1-CD1 3.84Å; F126-F130 HydrophobicContact CE1-CD2 4.41Å; F126-F130 HydrophobicContact CE1-CE1 4.49Å; F126-F130 AromaticContact CE1-CG 3.79Å; F126-F130 HydrophobicContact CE1-CG 3.79Å; F126-F130 HydrophobicContact CE2-CB 4.24Å; F126-F130 HydrophobicContact CZ-CB 3.76Å; F126-F130 HydrophobicContact CZ-CD1 4.11Å; F126-F130 AromaticContact CZ-CD2 3.85Å; F126-F130 HydrophobicContact CZ-CD2 3.85Å; F126-F130 HydrophobicContact CZ-CE2 4.45Å; F126-F130 AromaticContact CZ-CG 3.65Å; F126-F130 HydrophobicContact CZ-CG 3.65Å; F126-F130 PolarHBondContact O-N 3.24Å; F126-F130 VanDerWaalsContact O-N 3.1Å; F126-Y163 HydrophobicContact CB-CD1 4.21Å; F126-Y163 HydrophobicContact CB-CD2 4.21Å; F126-Y163 HydrophobicContact CB-CG 3.82Å; F126-Y163 AromaticContact CD2-CD2 3.88Å; F126-Y163 HydrophobicContact CD2-CD2 3.88Å; F126-Y163 AromaticContact CD2-CE2 3.92Å; F126-Y163 HydrophobicContact CD2-CE2 3.92Å; F126-Y163 HydrophobicContact CD2-CG 4.28Å; F126-Y163 HydrophobicContact CG-CD2 4.48Å; F126-V168 HydrophobicContact CD2-CG1 4.23Å; F126-V168 HydrophobicContact CD2-CG2 3.81Å; F126-V168 HydrophobicContact CE2-CB 4.39Å; F126-V168 HydrophobicContact CE2-CG1 3.52Å; F126-V168 HydrophobicContact CE2-CG2 3.94Å; F126-V168 HydrophobicContact CG-CG2 4.31Å; F126-V168 HydrophobicContact CZ-CG1 3.94Å |
| 127 | L | 95.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.1 | -30.6 | -175.2 | -62.5 | 176.3 | 0 | 0 | 0 | 113.1 | G105 N106 V109 G123 N124 R129 F130 | G105-L127 WeakPolarHBondContact CA-O 3.3Å; N106-L127 VanDerWaalsContact OD1-CB 3.29Å; N106-L127 WeakPolarHBondContact OD1-CB 3.34Å; N106-L127 VanDerWaalsContact OD1-CD1 3.28Å; N106-L127 WeakPolarHBondContact OD1-CD1 3.39Å; V109-L127 HydrophobicContact CB-CD2 4.43Å; V109-L127 HydrophobicContact CG1-CD2 3.5Å; V109-L127 VanDerWaalsContact CG1-CD2 3.5Å; V109-L127 HydrophobicContact CG2-CD1 4.14Å; V109-L127 HydrophobicContact CG2-CD2 4.12Å; G123-L127 WeakPolarHBondContact O-CG 3.48Å; G123-L127 PolarHBondContact O-N 3.36Å; N124-L127 PolarHBondContact O-N 3.12Å; L127-R129 PolarHBondContact O-N 3.48Å; L127-F130 HydrophobicContact CD2-CD1 4.37Å; L127-F130 PolarHBondContact O-N 3.33Å |
| 128 | N | 93.6 | Very high | 94.3 | Very high | 88 Ų | 88 | 46.9 Ų | 46.9 | 47% | 0.471 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -17.5 | 172.8 | -72.2 | -18.5 | 0 | 0 | 0 | 113.2 | R91 N106 N124 F126 | R91-N128 PolarHBondContact NH1-O 2.69Å; N106-N128 PolarHBondContact ND2-OD1 3.49Å; N124-N128 VanDerWaalsContact O-CB 3.31Å; N124-N128 WeakPolarHBondContact O-CB 3.37Å; N124-N128 PolarHBondContact O-N 3.32Å; N124-N128 PolarHBondContact O-ND2 3.11Å; F126-N128 PolarHBondContact O-N 3Å |
| 129 | R | 93.5 | Very high | 94.5 | Very high | 67 Ų | 67 | 46.1 Ų | 46.1 | 25% | 0.253 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 25 | 175.2 | -64.5 | 177 | -173.6 | -95.8 | 13.6 | 111.7 | D90 R91 F92 F126 L127 Y163 | D90-R129 IonicContact OD2-NH1 3.3Å; D90-R129 PolarHBondContact OD2-NH1 3.41Å; R91-R129 CarbonylContact C-O 3.16Å; R91-R129 WeakPolarHBondContact CA-O 3.36Å; R91-R129 WeakPolarHBondContact CB-O 3.23Å; R91-R129 HydrophobicContact CG-CB 4.43Å; F92-R129 PolarHBondContact N-O 3.45Å; F126-R129 CarbonylContact O-C 3.55Å; F126-R129 WeakPolarHBondContact O-CA 3.18Å; F126-R129 PolarHBondContact O-N 3.31Å; L127-R129 PolarHBondContact O-N 3.48Å; R129-Y163 HydrophobicContact CB-CE1 4.49Å |
| 130 | F | 96.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.009 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 137.5 | 175 | -177.9 | -135.3 | 0 | 0 | 0 | 108.8 | F92 V94 G105 L108 V109 F116 L119 F126 L127 F172 | F92-F130 HydrophobicContact CB-CD2 3.7Å; F92-F130 HydrophobicContact CB-CE2 4.36Å; F92-F130 WeakPolarHBondContact O-CA 3.45Å; V94-F130 HydrophobicContact CG2-CE2 3.52Å; V94-F130 HydrophobicContact CG2-CZ 3.84Å; G105-F130 WeakPolarHBondContact CA-O 3.47Å; G105-F130 PolarHBondContact N-O 3.01Å; L108-F130 HydrophobicContact CB-CE1 4.49Å; L108-F130 HydrophobicContact CD2-CD1 4.1Å; L108-F130 HydrophobicContact CD2-CE1 3.42Å; L108-F130 VanDerWaalsContact CD2-CE1 3.42Å; L108-F130 HydrophobicContact CD2-CE2 4.24Å; L108-F130 HydrophobicContact CD2-CZ 3.5Å; L108-F130 VanDerWaalsContact CD2-CZ 3.5Å; L108-F130 HydrophobicContact CG-CE1 4.08Å; L108-F130 HydrophobicContact CG-CZ 4.46Å; V109-F130 HydrophobicContact CG1-CD1 4.46Å; V109-F130 HydrophobicContact CG1-CE1 4.28Å; F116-F130 HydrophobicContact CB-CE1 4.15Å; F116-F130 HydrophobicContact CB-CZ 4.18Å; F116-F130 HydrophobicContact CD1-CZ 4.1Å; F116-F130 HydrophobicContact CG-CZ 4.08Å; L119-F130 HydrophobicContact CB-CE1 4.45Å; L119-F130 HydrophobicContact CD1-CD1 4.29Å; L119-F130 HydrophobicContact CD1-CE1 3.43Å; L119-F130 VanDerWaalsContact CD1-CE1 3.43Å; L119-F130 HydrophobicContact CD1-CE2 4.01Å; L119-F130 HydrophobicContact CD1-CZ 3.28Å; F126-F130 HydrophobicContact CD1-CB 4.41Å; F126-F130 HydrophobicContact CE1-CB 3.84Å; F126-F130 AromaticContact CE1-CD1 3.84Å; F126-F130 HydrophobicContact CE1-CD1 3.84Å; F126-F130 HydrophobicContact CE1-CD2 4.41Å; F126-F130 HydrophobicContact CE1-CE1 4.49Å; F126-F130 AromaticContact CE1-CG 3.79Å; F126-F130 HydrophobicContact CE1-CG 3.79Å; F126-F130 HydrophobicContact CE2-CB 4.24Å; F126-F130 HydrophobicContact CZ-CB 3.76Å; F126-F130 HydrophobicContact CZ-CD1 4.11Å; F126-F130 AromaticContact CZ-CD2 3.85Å; F126-F130 HydrophobicContact CZ-CD2 3.85Å; F126-F130 HydrophobicContact CZ-CE2 4.45Å; F126-F130 AromaticContact CZ-CG 3.65Å; F126-F130 HydrophobicContact CZ-CG 3.65Å; F126-F130 PolarHBondContact O-N 3.24Å; F126-F130 VanDerWaalsContact O-N 3.1Å; L127-F130 HydrophobicContact CD2-CD1 4.37Å; L127-F130 PolarHBondContact O-N 3.33Å; F130-F172 AromaticContact CE2-CZ 3.97Å; F130-F172 HydrophobicContact CE2-CZ 3.97Å; F130-F172 HydrophobicContact CZ-CZ 4.42Å |
| 131 | Q | 96.1 | Very high | 94.7 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 9% | 0.093 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 159.4 | 180 | 66 | -175.1 | 16.5 | 0 | 0 | 111.5 | F92 S93 V94 I102 I103 | F92-Q131 PolarHBondContact O-N 2.7Å; S93-Q131 WeakPolarHBondContact CA-O 3.41Å; S93-Q131 PolarHBondContact OG-NE2 2.86Å; V94-Q131 PolarHBondContact N-O 3.08Å; I102-Q131 HydrophobicContact CG2-CB 4.06Å; I103-Q131 WeakPolarHBondContact O-CA 3.42Å |
| 132 | C | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120.6 | 168.6 | 166.4 | 0 | 0 | 0 | 0 | 109.4 | V94 M96 I102 I103 L108 | V94-C132 HydrophobicContact CB-CB 4.22Å; V94-C132 CarbonylContact O-C 3.6Å; V94-C132 VanDerWaalsContact O-CA 3.28Å; V94-C132 WeakPolarHBondContact O-CA 3.34Å; M96-C132 VanDerWaalsContact CG-SG 3.5Å; M96-C132 PolarHBondContact SD-SG 3.28Å; I102-C132 CarbonylContact C-O 3.55Å; I102-C132 WeakPolarHBondContact CA-O 3.31Å; I103-C132 HydrophobicContact CB-CB 4.22Å; I103-C132 PolarHBondContact N-O 3.07Å; I103-C132 PolarHBondContact O-N 3.33Å; L108-C132 HydrophobicContact CD1-CB 3.78Å; L108-C132 HydrophobicContact CD2-CB 3.54Å; L108-C132 HydrophobicContact CG-CB 4.28Å |
| 133 | C | 97.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 110.6 | 178 | -55.4 | 0 | 0 | 0 | 0 | 108.1 | F78 P79 V94 V95 M96 | F78-C133 HydrophobicContact CD2-CB 4.11Å; P79-C133 WeakPolarHBondContact O-CB 3.29Å; P79-C133 PolarHBondContact O-SG 3.24Å; V94-C133 PolarHBondContact O-N 3.44Å; V95-C133 WeakPolarHBondContact CA-O 3.35Å; V95-C133 HydrophobicContact CG2-CB 4.46Å; M96-C133 PolarHBondContact N-O 3.31Å |
| 134 | Q | 96.7 | Very high | 95 | Very high | 35 Ų | 35 | 39.1 Ų | 39.1 | 16% | 0.164 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 131.5 | -179.2 | -63.5 | -170.6 | -71 | 0 | 0 | 110 | P79 M96 D99 E100 G101 I103 | P79-Q134 WeakPolarHBondContact CG-O 3.48Å; M96-Q134 HydrophobicContact CG-CG 4.11Å; M96-Q134 WeakPolarHBondContact O-CA 3.37Å; D99-Q134 WeakPolarHBondContact O-CB 3.25Å; E100-Q134 WeakPolarHBondContact CA-O 3.47Å; G101-Q134 PolarHBondContact N-O 3.39Å; G101-Q134 VanDerWaalsContact N-O 3.11Å; G101-Q134 PolarHBondContact O-N 3.27Å; I103-Q134 VanDerWaalsContact CD1-OE1 3.25Å |
| 135 | V | 96.3 | Very high | 95.2 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 10% | 0.097 | 17% | 0.168 | C | C | . | . | trans | -152.1 | 142.1 | 174.8 | 62.8 | 0 | 0 | 0 | 0 | 109.6 | F78 M96 S97 G98 N137 L140 | F78-V135 HydrophobicContact CB-CG1 4.04Å; M96-V135 PolarHBondContact O-N 3.3Å; S97-V135 WeakPolarHBondContact CA-O 3.29Å; G98-V135 CarbonylContact O-C 3.4Å; V135-N137 PolarHBondContact O-N 3.05Å; V135-L140 HydrophobicContact CG1-CD1 3.43Å; V135-L140 VanDerWaalsContact CG1-CD1 3.43Å | ||
| 136 | R | 96.1 | Very high | 95.5 | Very high | 188 Ų | 188 | 29.7 Ų | 29.7 | 71% | 0.709 | 14% | 0.144 | S | C | * | . | trans | -74.2 | 108.3 | 174.3 | -63.1 | -176.7 | -177.2 | 165.3 | -1.3 | 108.9 | G98 D99 | G98-R136 WeakPolarHBondContact O-CG 3.45Å; G98-R136 PolarHBondContact O-N 3.29Å; D99-R136 IonicContact OD1-CZ 3.43Å; D99-R136 IonicContact OD1-NE 2.86Å; D99-R136 PolarHBondContact OD1-NE 2.92Å; D99-R136 IonicContact OD1-NH2 2.7Å; D99-R136 PolarHBondContact OD1-NH2 2.9Å | ||
| 137 | N | 94.7 | Very high | 95.5 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 5% | 0.053 | 15% | 0.145 | C | C | . | . | trans | -148 | 131.7 | 177 | -174.3 | -64.2 | 0 | 0 | 0 | 109.6 | L74 S76 V135 V139 L140 D141 | L74-N137 PolarHBondContact O-ND2 3.08Å; S76-N137 PolarHBondContact OG-ND2 2.76Å; V135-N137 PolarHBondContact O-N 3.05Å; N137-V139 PolarHBondContact O-N 3.17Å; N137-V139 VanDerWaalsContact O-N 3.12Å; N137-V139 VanDerWaalsContact OD1-CB 3.28Å; N137-V139 WeakPolarHBondContact OD1-CB 3.37Å; N137-V139 WeakPolarHBondContact OD1-CG2 3.42Å; N137-V139 PolarHBondContact OD1-N 2.74Å; N137-L140 HydrophobicContact CB-CB 4.43Å; N137-L140 HydrophobicContact CB-CD1 3.99Å; N137-L140 HydrophobicContact CB-CG 4.09Å; N137-L140 PolarHBondContact O-N 2.63Å; N137-D141 PolarHBondContact O-N 2.92Å | ||
| 138 | P | 93.5 | Very high | 95.5 | Very high | 68 Ų | 68 | 29.4 Ų | 29.4 | 44% | 0.442 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -56.1 | -29.7 | -178.5 | -26.8 | 35.1 | 0 | 0 | 0 | 114.7 | L140 D141 K407 | P138-L140 VanDerWaalsContact C-N 3.34Å; P138-D141 WeakPolarHBondContact O-CB 3.49Å; P138-D141 PolarHBondContact O-N 2.97Å; P138-K407 CarbonylContact C-O 3.51Å; P138-K407 WeakPolarHBondContact CB-O 3.32Å |
| 139 | V | 94.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.3 | -42.7 | 176.1 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | L74 N137 D141 S142 I143 I406 K407 G408 F411 | L74-V139 HydrophobicContact CD2-CB 3.82Å; L74-V139 HydrophobicContact CD2-CG1 3.84Å; L74-V139 HydrophobicContact CD2-CG2 4.49Å; N137-V139 PolarHBondContact O-N 3.17Å; N137-V139 VanDerWaalsContact O-N 3.12Å; N137-V139 VanDerWaalsContact OD1-CB 3.28Å; N137-V139 WeakPolarHBondContact OD1-CB 3.37Å; N137-V139 WeakPolarHBondContact OD1-CG2 3.42Å; N137-V139 PolarHBondContact OD1-N 2.74Å; V139-D141 PolarHBondContact O-N 3.49Å; V139-S142 PolarHBondContact O-N 3.06Å; V139-S142 VanDerWaalsContact O-N 3.13Å; V139-I143 HydrophobicContact CG1-CD1 4.05Å; V139-I143 HydrophobicContact CG1-CG1 4.05Å; V139-I143 WeakPolarHBondContact O-CG1 3.44Å; V139-I143 PolarHBondContact O-N 3.46Å; V139-I143 VanDerWaalsContact O-N 3.15Å; V139-I406 HydrophobicContact CB-CG2 4.16Å; V139-I406 HydrophobicContact CG1-CG2 3.82Å; V139-I406 HydrophobicContact CG2-CG2 4.19Å; V139-K407 WeakPolarHBondContact CA-O 3.31Å; V139-K407 WeakPolarHBondContact CG2-O 3.49Å; V139-K407 PolarHBondContact N-O 3.14Å; V139-K407 VanDerWaalsContact N-O 3.13Å; V139-G408 WeakPolarHBondContact CG2-O 3.42Å; V139-F411 HydrophobicContact CG1-CD2 4.25Å; V139-F411 HydrophobicContact CG1-CE2 3.75Å; V139-F411 HydrophobicContact CG2-CD2 3.84Å; V139-F411 HydrophobicContact CG2-CE2 4.13Å |
| 140 | L | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -76.1 | -11.6 | -178.5 | -57.9 | 177 | 0 | 0 | 0 | 113 | K53 L74 V95 S97 V135 N137 P138 S142 I143 I145 | K53-L140 PolarHBondContact NZ-O 2.96Å; L74-L140 HydrophobicContact CD1-CD1 4.4Å; L74-L140 HydrophobicContact CD2-CD1 4.3Å; L74-L140 HydrophobicContact CD2-CD2 3.78Å; L74-L140 HydrophobicContact CD2-CG 3.77Å; V95-L140 HydrophobicContact CG1-CD1 3.75Å; V95-L140 HydrophobicContact CG1-CD2 4.08Å; S97-L140 VanDerWaalsContact CB-O 3.25Å; S97-L140 WeakPolarHBondContact CB-O 3.2Å; V135-L140 HydrophobicContact CG1-CD1 3.43Å; V135-L140 VanDerWaalsContact CG1-CD1 3.43Å; N137-L140 HydrophobicContact CB-CB 4.43Å; N137-L140 HydrophobicContact CB-CD1 3.99Å; N137-L140 HydrophobicContact CB-CG 4.09Å; N137-L140 PolarHBondContact O-N 2.63Å; P138-L140 VanDerWaalsContact C-N 3.34Å; L140-S142 PolarHBondContact O-N 3.31Å; L140-I143 CarbonylContact C-O 3.57Å; L140-I143 VanDerWaalsContact CA-O 3.27Å; L140-I143 WeakPolarHBondContact CA-O 3.36Å; L140-I143 VanDerWaalsContact O-O 3.11Å; L140-I145 HydrophobicContact CD2-CD1 4.35Å; L140-I145 HydrophobicContact CD2-CG1 4.39Å |
| 141 | D | 92.6 | Very high | 94.7 | Very high | 88 Ų | 88 | 22.6 Ų | 22.6 | 47% | 0.471 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -69.1 | -24.8 | 169.4 | -67 | -25.3 | 0 | 0 | 0 | 111.4 | K53 S97 N137 P138 V139 | K53-D141 WeakPolarHBondContact CD-O 3.36Å; K53-D141 VanDerWaalsContact CE-O 3.26Å; K53-D141 WeakPolarHBondContact CE-O 3.34Å; K53-D141 VanDerWaalsContact NZ-CA 3.26Å; K53-D141 PolarHBondContact NZ-O 3.26Å; S97-D141 VanDerWaalsContact CB-OD1 3.29Å; S97-D141 WeakPolarHBondContact CB-OD1 3.27Å; S97-D141 PolarHBondContact OG-OD1 3.47Å; N137-D141 PolarHBondContact O-N 2.92Å; P138-D141 WeakPolarHBondContact O-CB 3.49Å; P138-D141 PolarHBondContact O-N 2.97Å; V139-D141 PolarHBondContact O-N 3.49Å |
| 142 | S | 91.8 | Very high | 93.8 | Very high | 20 Ų | 20 | 23.1 Ų | 23.1 | 14% | 0.14 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -103.9 | -31.2 | -179.7 | -57.7 | 0 | 0 | 0 | 0 | 114.1 | V139 L140 | V139-S142 PolarHBondContact O-N 3.06Å; V139-S142 VanDerWaalsContact O-N 3.13Å; L140-S142 PolarHBondContact O-N 3.31Å |
| 143 | I | 95.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | trans | -138.8 | 168.7 | -175.8 | 59.6 | 161.3 | 0 | 0 | 0 | 112.7 | P54 V56 V139 L140 I145 L279 P280 I406 | P54-I143 HydrophobicContact CB-CG2 4.24Å; P54-I143 CarbonylContact O-C 3.52Å; P54-I143 WeakPolarHBondContact O-CA 3.36Å; V56-I143 HydrophobicContact CG2-CD1 4.3Å; V139-I143 HydrophobicContact CG1-CD1 4.05Å; V139-I143 HydrophobicContact CG1-CG1 4.05Å; V139-I143 WeakPolarHBondContact O-CG1 3.44Å; V139-I143 PolarHBondContact O-N 3.46Å; V139-I143 VanDerWaalsContact O-N 3.15Å; L140-I143 CarbonylContact C-O 3.57Å; L140-I143 VanDerWaalsContact CA-O 3.27Å; L140-I143 WeakPolarHBondContact CA-O 3.36Å; L140-I143 VanDerWaalsContact O-O 3.11Å; I143-I145 HydrophobicContact CD1-CD1 4.09Å; I143-I145 HydrophobicContact CD1-CG1 3.89Å; I143-I145 HydrophobicContact CG1-CG1 4.49Å; I143-L279 HydrophobicContact CG2-CB 4.4Å; I143-P280 HydrophobicContact CG2-CG 4.24Å; I143-I406 HydrophobicContact CB-CD1 4.49Å; I143-I406 HydrophobicContact CD1-CD1 3.74Å; I143-I406 HydrophobicContact CG1-CD1 4.03Å; I143-I406 HydrophobicContact CG2-CD1 3.65Å; I143-I406 HydrophobicContact CG2-CG1 4Å | ||
| 144 | V | 96.9 | Very high | 90.8 | Very high | 11 Ų | 11 | 28.6 Ų | 28.6 | 7% | 0.067 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 137.1 | 169.8 | 170.1 | 0 | 0 | 0 | 0 | 108.1 | K53 P54 M55 V56 V94 M96 | K53-V144 HydrophobicContact CB-CG2 4.26Å; P54-V144 PolarHBondContact O-N 3.03Å; M55-V144 CarbonylContact C-O 3.55Å; M55-V144 VanDerWaalsContact CA-O 3.28Å; M55-V144 WeakPolarHBondContact CA-O 3.06Å; M55-V144 HydrophobicContact CG-CB 3.9Å; M55-V144 HydrophobicContact CG-CG1 4.04Å; V56-V144 PolarHBondContact N-O 2.65Å; V94-V144 HydrophobicContact CG1-CG1 3.49Å; V94-V144 VanDerWaalsContact CG1-CG1 3.49Å; M96-V144 HydrophobicContact CB-CG1 4.26Å; M96-V144 HydrophobicContact CB-CG2 3.82Å |
| 145 | I | 98 | Very high | 89.2 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.4 | -179.1 | -54.6 | 173.3 | 0 | 0 | 0 | 108.8 | L58 I70 L73 L74 V95 L140 I143 | L58-I145 HydrophobicContact CD1-CG2 4.45Å; L58-I145 HydrophobicContact CG-CG2 4.32Å; I70-I145 HydrophobicContact CD1-CG2 3.81Å; I70-I145 HydrophobicContact CG1-CG2 3.83Å; I70-I145 HydrophobicContact CG2-CD1 4.35Å; I70-I145 HydrophobicContact CG2-CG2 4.42Å; L73-I145 HydrophobicContact CD1-CD1 4.24Å; L74-I145 HydrophobicContact CD2-CD1 4.22Å; V95-I145 HydrophobicContact CB-CB 4.49Å; V95-I145 PolarHBondContact N-O 3.17Å; V95-I145 PolarHBondContact O-N 3.28Å; L140-I145 HydrophobicContact CD2-CD1 4.35Å; L140-I145 HydrophobicContact CD2-CG1 4.39Å; I143-I145 HydrophobicContact CD1-CD1 4.09Å; I143-I145 HydrophobicContact CD1-CG1 3.89Å; I143-I145 HydrophobicContact CG1-CG1 4.49Å |
| 146 | I | 97.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 109 | 179.8 | -59.5 | 154.2 | 0 | 0 | 0 | 108.2 | M55 V56 L57 L58 S93 V94 T148 F172 V176 | M55-I146 HydrophobicContact CB-CD1 4.09Å; M55-I146 HydrophobicContact CG-CD1 4.39Å; M55-I146 HydrophobicContact SD-CD1 4.12Å; V56-I146 PolarHBondContact O-N 3.1Å; L57-I146 HydrophobicContact CD1-CB 3.88Å; L57-I146 HydrophobicContact CD1-CD1 4.5Å; L57-I146 HydrophobicContact CD1-CG2 3.59Å; L58-I146 PolarHBondContact N-O 3.44Å; S93-I146 WeakPolarHBondContact O-CA 3.4Å; V94-I146 HydrophobicContact CG2-CG1 4.45Å; I146-T148 HydrophobicContact CG2-CG2 4.35Å; I146-F172 HydrophobicContact CD1-CD1 3.55Å; I146-F172 HydrophobicContact CD1-CE1 3.69Å; I146-F172 HydrophobicContact CD1-CG 4.49Å; I146-F172 HydrophobicContact CG1-CE1 4.34Å; I146-F172 HydrophobicContact CG2-CD1 4.49Å; I146-F172 HydrophobicContact CG2-CE1 4.21Å; I146-F172 HydrophobicContact CG2-CZ 4.28Å; I146-V176 HydrophobicContact CD1-CG1 3.67Å |
| 147 | D | 96.3 | Very high | 85.8 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.011 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 135 | 168.6 | -154.6 | -2.5 | 0 | 0 | 0 | 109.3 | K66 T67 I70 F92 S93 | K66-D147 WeakPolarHBondContact CB-OD1 3.33Å; T67-D147 WeakPolarHBondContact CA-OD2 3.36Å; T67-D147 WeakPolarHBondContact CB-OD2 3.46Å; T67-D147 PolarHBondContact OG1-OD2 3.09Å; I70-D147 HydrophobicContact CD1-CB 3.41Å; I70-D147 VanDerWaalsContact CD1-CB 3.41Å; F92-D147 WeakPolarHBondContact CA-O 3.36Å; S93-D147 PolarHBondContact N-O 3.14Å; S93-D147 PolarHBondContact O-N 3.03Å |
| 148 | T | 95 | Very high | 84.4 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -113.6 | 153.2 | 179.6 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | L57 L58 L59 K66 F92 I146 | L57-T148 HydrophobicContact CD1-CG2 3.52Å; L57-T148 HydrophobicContact CG-CG2 4.44Å; L58-T148 WeakPolarHBondContact O-CB 3.46Å; L58-T148 WeakPolarHBondContact O-CG2 3.26Å; L58-T148 PolarHBondContact O-OG1 3.06Å; L59-T148 HydrophobicContact CD2-CG2 3.92Å; K66-T148 WeakPolarHBondContact CE-O 3.44Å; F92-T148 HydrophobicContact CD1-CG2 3.77Å; F92-T148 HydrophobicContact CE1-CG2 3.61Å; I146-T148 HydrophobicContact CG2-CG2 4.35Å | ||
| 149 | P | 91.4 | Very high | 82.9 | Confident | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.039 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -52.6 | 146.4 | 169.3 | -24.2 | 32.6 | 0 | 0 | 0 | 111.7 | T89 F92 I151 F165 | T89-P149 WeakPolarHBondContact O-CA 3.42Å; F92-P149 HydrophobicContact CD2-CG 3.86Å; F92-P149 HydrophobicContact CE2-CG 3.91Å; P149-I151 PolarHBondContact O-N 3.12Å; P149-F165 HydrophobicContact CB-CE2 4.31Å; P149-F165 HydrophobicContact CG-CE2 4.32Å |
| 150 | G | 89.1 | Confident | 81.7 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 7% | 0.072 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -58 | 127.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L152 | G150-L152 WeakPolarHBondContact O-CG 3.48Å; G150-L152 PolarHBondContact O-N 3.24Å |
| 151 | I | 85.4 | Confident | 81 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -67.5 | 127.8 | 173.6 | -58.8 | 169.5 | 0 | 0 | 0 | 107.6 | G60 Q61 Y62 P149 F165 E193 F194 V197 | G60-I151 PolarHBondContact O-N 3.07Å; G60-I151 VanDerWaalsContact O-N 3.11Å; Q61-I151 WeakPolarHBondContact CA-O 3.34Å; Y62-I151 PolarHBondContact N-O 2.86Å; Y62-I151 VanDerWaalsContact N-O 3.15Å; P149-I151 PolarHBondContact O-N 3.12Å; I151-F165 HydrophobicContact CD1-CE1 4.13Å; I151-F165 HydrophobicContact CD1-CZ 4.48Å; I151-F165 HydrophobicContact CG1-CE1 3.76Å; I151-F165 HydrophobicContact CG1-CZ 3.84Å; I151-E193 HydrophobicContact CG2-CB 4.01Å; I151-E193 HydrophobicContact CG2-CG 3.9Å; I151-F194 HydrophobicContact CD1-CB 4.45Å; I151-F194 HydrophobicContact CD1-CD2 3.28Å; I151-F194 HydrophobicContact CD1-CE2 3.68Å; I151-F194 HydrophobicContact CD1-CG 4.06Å; I151-F194 HydrophobicContact CG2-CB 3.98Å; I151-V197 HydrophobicContact CD1-CB 4.2Å; I151-V197 HydrophobicContact CD1-CG1 4.09Å; I151-V197 HydrophobicContact CD1-CG2 4.16Å |
| 152 | L | 78.1 | Confident | 80.7 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 17% | 0.168 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -95 | 148 | -170.1 | -68.8 | 177.4 | 0 | 0 | 0 | 110.3 | G150 Q157 | G150-L152 WeakPolarHBondContact O-CG 3.48Å; G150-L152 PolarHBondContact O-N 3.24Å; L152-Q157 HydrophobicContact CB-CB 3.94Å; L152-Q157 HydrophobicContact CD1-CB 3.58Å; L152-Q157 HydrophobicContact CD1-CG 4.13Å; L152-Q157 VanDerWaalsContact CD2-OE1 3.31Å; L152-Q157 HydrophobicContact CG-CB 4.31Å |
| 153 | S | 66.9 | Low | 80.6 | Confident | 69 Ų | 69 | 50.5 Ų | 50.5 | 48% | 0.483 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -95.3 | 105.7 | 174.4 | -55.9 | 0 | 0 | 0 | 0 | 109 | Q61 | Q61-S153 PolarHBondContact OE1-OG 3.37Š|
| 154 | G | 64.8 | Low | 80.3 | Confident | 45 Ų | 45 | 54.6 Ų | 54.6 | 46% | 0.464 | 29% | 0.292 | S | S | . | . | S | Bend | trans | 123.5 | 148.2 | 170 | 0 | 0 | 0 | 0 | 0 | 115.8 | K156 Q157 | G154-K156 PolarHBondContact O-N 3.31Å; G154-Q157 PolarHBondContact O-N 2.98Å |
| 155 | E | 62 | Low | 80.1 | Confident | 144 Ų | 144 | 54.4 Ų | 54.4 | 67% | 0.673 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.2 | -36.6 | -171.8 | -93.1 | -176.2 | 149.2 | 0 | 0 | 115.5 | Q157 R158 L159 | E155-Q157 PolarHBondContact O-N 3.25Å; E155-R158 WeakPolarHBondContact O-CB 3.38Å; E155-R158 PolarHBondContact O-N 2.86Å; E155-L159 PolarHBondContact O-N 2.89Å; E155-L159 VanDerWaalsContact O-N 3.17Å |
| 156 | K | 60 | Low | 79.7 | Confident | 189 Ų | 189 | 55.7 Ų | 55.7 | 82% | 0.822 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -59.5 | -39.5 | -176.8 | -69.6 | -171.9 | 178.9 | -177.3 | 0 | 111.9 | G154 R158 D160 | G154-K156 PolarHBondContact O-N 3.31Å; K156-R158 VanDerWaalsContact C-N 3.33Å; K156-D160 PolarHBondContact O-N 3.32Å |
| 157 | Q | 62.6 | Low | 79.4 | Confident | 91 Ų | 91 | 57 Ų | 57 | 43% | 0.425 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -74.6 | -25.6 | 179.7 | -75.6 | -177.8 | 2.3 | 0 | 0 | 112.6 | L152 G154 E155 | L152-Q157 HydrophobicContact CB-CB 3.94Å; L152-Q157 HydrophobicContact CD1-CB 3.58Å; L152-Q157 HydrophobicContact CD1-CG 4.13Å; L152-Q157 VanDerWaalsContact CD2-OE1 3.31Å; L152-Q157 HydrophobicContact CG-CB 4.31Å; G154-Q157 PolarHBondContact O-N 2.98Å; E155-Q157 PolarHBondContact O-N 3.25Å |
| 158 | R | 63.5 | Low | 79.3 | Confident | 99 Ų | 99 | 56.9 Ų | 56.9 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.1 | -44.8 | 173.4 | -174.1 | -176.6 | 177.1 | -147 | 1.5 | 111.6 | E155 K156 D160 | E155-R158 WeakPolarHBondContact O-CB 3.38Å; E155-R158 PolarHBondContact O-N 2.86Å; K156-R158 VanDerWaalsContact C-N 3.33Å; R158-D160 VanDerWaalsContact C-N 3.31Å; R158-D160 PolarHBondContact O-N 3.47Å |
| 159 | L | 62.6 | Low | 79.3 | Confident | 148 Ų | 148 | 56.9 Ų | 56.9 | 78% | 0.775 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.6 | -33 | -179 | -70.1 | 170.1 | 0 | 0 | 0 | 112.5 | E155 R161 | E155-L159 PolarHBondContact O-N 2.89Å; E155-L159 VanDerWaalsContact O-N 3.17Å; L159-R161 PolarHBondContact O-N 3.45Å |
| 160 | D | 71 | Confident | 79.4 | Confident | 128 Ų | 128 | 60.2 Ų | 60.2 | 68% | 0.684 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -13.6 | -175.3 | -161.3 | 42.2 | 0 | 0 | 0 | 114.3 | K156 R158 | K156-D160 PolarHBondContact O-N 3.32Å; R158-D160 VanDerWaalsContact C-N 3.31Å; R158-D160 PolarHBondContact O-N 3.47Å |
| 161 | R | 80.7 | Confident | 79.5 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 7% | 0.068 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -34.2 | -179.8 | -66.9 | -173.6 | -170.1 | 149.4 | 13.5 | 113.1 | L159 Y163 F165 E193 | L159-R161 PolarHBondContact O-N 3.45Å; R161-Y163 VanDerWaalsContact C-N 3.28Å; R161-Y163 HydrophobicContact CB-CD1 4.03Å; R161-Y163 HydrophobicContact CB-CE1 3.75Å; R161-Y163 HydrophobicContact CG-CE1 4.45Å; R161-Y163 WeakPolarHBondContact O-CD1 3.43Å; R161-Y163 PolarHBondContact O-N 2.72Å; R161-F165 VanDerWaalsContact NH1-CD2 3.33Å; R161-E193 IonicContact CZ-OE1 2.66Å; R161-E193 IonicContact NH1-OE1 2.71Å; R161-E193 PolarHBondContact NH1-OE1 3.38Å; R161-E193 IonicContact NH2-OE1 2.76Å; R161-E193 PolarHBondContact NH2-OE1 3.43Å; R161-E193 IonicContact NH2-OE2 3.58Å |
| 162 | G | 85.1 | Confident | 80 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 43% | 0.433 | 32% | 0.321 | S | S | . | . | trans | 73.7 | 9.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N125 | N125-G162 WeakPolarHBondContact CB-O 3.5Å; N125-G162 PolarHBondContact ND2-O 2.87Å | ||
| 163 | Y | 90.2 | Very high | 80.7 | Confident | 26 Ų | 26 | 58.7 Ų | 58.7 | 10% | 0.102 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -146.1 | 159.2 | 174.1 | 65.2 | -86.5 | 0 | 0 | 0 | 111.1 | F92 F126 R129 R161 F165 V168 | F92-Y163 AromaticContact CE2-CE2 3.84Å; F92-Y163 HydrophobicContact CE2-CE2 3.84Å; F92-Y163 WeakPolarHBondContact CE2-OH 3.42Å; F126-Y163 HydrophobicContact CB-CD1 4.21Å; F126-Y163 HydrophobicContact CB-CD2 4.21Å; F126-Y163 HydrophobicContact CB-CG 3.82Å; F126-Y163 AromaticContact CD2-CD2 3.88Å; F126-Y163 HydrophobicContact CD2-CD2 3.88Å; F126-Y163 AromaticContact CD2-CE2 3.92Å; F126-Y163 HydrophobicContact CD2-CE2 3.92Å; F126-Y163 HydrophobicContact CD2-CG 4.28Å; F126-Y163 HydrophobicContact CG-CD2 4.48Å; R129-Y163 HydrophobicContact CB-CE1 4.49Å; R161-Y163 VanDerWaalsContact C-N 3.28Å; R161-Y163 HydrophobicContact CB-CD1 4.03Å; R161-Y163 HydrophobicContact CB-CE1 3.75Å; R161-Y163 HydrophobicContact CG-CE1 4.45Å; R161-Y163 WeakPolarHBondContact O-CD1 3.43Å; R161-Y163 PolarHBondContact O-N 2.72Å; Y163-F165 HydrophobicContact CE2-CB 4.19Å; Y163-F165 HydrophobicContact CE2-CD2 4.16Å; Y163-F165 PolarHBondContact O-N 3.3Å; Y163-F165 VanDerWaalsContact O-N 3.16Å; Y163-V168 HydrophobicContact CD2-CG2 4Å; Y163-V168 HydrophobicContact CE2-CG2 4.38Å |
| 164 | D | 89.7 | Confident | 81.7 | Confident | 87 Ų | 87 | 58.6 Ų | 58.6 | 47% | 0.465 | 31% | 0.306 | S | S | . | . | trans | -78.6 | 97.6 | 176.8 | -172 | -16 | 0 | 0 | 0 | 111.1 | T166 A167 V168 | D164-T166 VanDerWaalsContact C-N 3.33Å; D164-T166 PolarHBondContact O-N 3.44Å; D164-T166 PolarHBondContact OD1-N 2.67Å; D164-A167 HydrophobicContact CB-CB 3.92Å; D164-A167 PolarHBondContact O-N 3.47Å; D164-A167 PolarHBondContact OD1-N 2.94Å; D164-A167 VanDerWaalsContact OD1-N 3.09Å; D164-V168 WeakPolarHBondContact O-CG2 3.42Å; D164-V168 PolarHBondContact O-N 3.48Å; D164-V168 VanDerWaalsContact O-N 3.15Å | ||
| 165 | F | 91.6 | Very high | 82.8 | Confident | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.3 | -39.7 | 178.5 | -177.9 | -92.2 | 0 | 0 | 0 | 113.1 | F92 P149 I151 R161 Y163 V168 V169 V197 | F92-F165 HydrophobicContact CE1-CE2 4.37Å; F92-F165 AromaticContact CE2-CD2 3.78Å; F92-F165 HydrophobicContact CE2-CD2 3.78Å; F92-F165 AromaticContact CE2-CE2 3.76Å; F92-F165 HydrophobicContact CE2-CE2 3.76Å; F92-F165 AromaticContact CZ-CD2 3.62Å; F92-F165 HydrophobicContact CZ-CD2 3.62Å; F92-F165 AromaticContact CZ-CE2 3.38Å; F92-F165 HydrophobicContact CZ-CE2 3.38Å; F92-F165 HydrophobicContact CZ-CZ 4.18Å; P149-F165 HydrophobicContact CB-CE2 4.31Å; P149-F165 HydrophobicContact CG-CE2 4.32Å; I151-F165 HydrophobicContact CD1-CE1 4.13Å; I151-F165 HydrophobicContact CD1-CZ 4.48Å; I151-F165 HydrophobicContact CG1-CE1 3.76Å; I151-F165 HydrophobicContact CG1-CZ 3.84Å; R161-F165 VanDerWaalsContact NH1-CD2 3.33Å; Y163-F165 HydrophobicContact CE2-CB 4.19Å; Y163-F165 HydrophobicContact CE2-CD2 4.16Å; Y163-F165 PolarHBondContact O-N 3.3Å; Y163-F165 VanDerWaalsContact O-N 3.16Å; F165-V168 PolarHBondContact O-N 3.23Å; F165-V169 HydrophobicContact CD1-CG2 3.97Å; F165-V169 HydrophobicContact CE1-CG2 3.55Å; F165-V169 HydrophobicContact CE2-CG2 4.43Å; F165-V169 HydrophobicContact CZ-CG2 3.81Å; F165-V169 WeakPolarHBondContact O-CG2 3.48Å; F165-V169 PolarHBondContact O-N 3.02Å; F165-V197 HydrophobicContact CD1-CG2 3.89Å; F165-V197 HydrophobicContact CE1-CG2 3.79Å |
| 166 | T | 91.1 | Very high | 84.3 | Confident | 27 Ų | 27 | 52.5 Ų | 52.5 | 17% | 0.166 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.2 | -43.2 | -178.2 | -59.2 | 0 | 0 | 0 | 0 | 110.2 | D164 V168 V169 Q170 | D164-T166 VanDerWaalsContact C-N 3.33Å; D164-T166 PolarHBondContact O-N 3.44Å; D164-T166 PolarHBondContact OD1-N 2.67Å; T166-V168 VanDerWaalsContact C-N 3.34Å; T166-V168 PolarHBondContact O-N 3Å; T166-V169 PolarHBondContact O-N 3.29Å; T166-Q170 WeakPolarHBondContact O-CB 3.39Å; T166-Q170 PolarHBondContact O-N 2.97Å |
| 167 | A | 90.7 | Very high | 85.9 | Confident | 28 Ų | 28 | 44.2 Ų | 44.2 | 23% | 0.231 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.9 | -36.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F122 D164 W171 | F122-A167 HydrophobicContact CE1-CB 3.77Å; F122-A167 HydrophobicContact CZ-CB 4.37Å; F122-A167 WeakPolarHBondContact CZ-O 3.24Å; D164-A167 HydrophobicContact CB-CB 3.92Å; D164-A167 PolarHBondContact O-N 3.47Å; D164-A167 PolarHBondContact OD1-N 2.94Å; D164-A167 VanDerWaalsContact OD1-N 3.09Å; A167-W171 PolarHBondContact O-N 2.92Å |
| 168 | V | 94.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 173.6 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | F92 F122 F126 Y163 D164 F165 T166 Q170 W171 F172 | F92-V168 HydrophobicContact CD1-CG1 4.28Å; F92-V168 HydrophobicContact CE1-CG1 3.76Å; F92-V168 HydrophobicContact CE2-CG1 4.08Å; F92-V168 HydrophobicContact CZ-CB 4.31Å; F92-V168 HydrophobicContact CZ-CG1 3.63Å; F122-V168 HydrophobicContact CB-CG2 4.39Å; F122-V168 HydrophobicContact CD1-CG2 3.61Å; F122-V168 HydrophobicContact CD2-CG2 3.83Å; F122-V168 HydrophobicContact CE1-CG2 3.7Å; F122-V168 HydrophobicContact CE2-CB 4.47Å; F122-V168 HydrophobicContact CE2-CG2 3.91Å; F122-V168 HydrophobicContact CG-CG2 3.68Å; F122-V168 HydrophobicContact CZ-CB 4.34Å; F122-V168 HydrophobicContact CZ-CG2 3.84Å; F126-V168 HydrophobicContact CD2-CG1 4.23Å; F126-V168 HydrophobicContact CD2-CG2 3.81Å; F126-V168 HydrophobicContact CE2-CB 4.39Å; F126-V168 HydrophobicContact CE2-CG1 3.52Å; F126-V168 HydrophobicContact CE2-CG2 3.94Å; F126-V168 HydrophobicContact CG-CG2 4.31Å; F126-V168 HydrophobicContact CZ-CG1 3.94Å; Y163-V168 HydrophobicContact CD2-CG2 4Å; Y163-V168 HydrophobicContact CE2-CG2 4.38Å; D164-V168 WeakPolarHBondContact O-CG2 3.42Å; D164-V168 PolarHBondContact O-N 3.48Å; D164-V168 VanDerWaalsContact O-N 3.15Å; F165-V168 PolarHBondContact O-N 3.23Å; T166-V168 VanDerWaalsContact C-N 3.34Å; T166-V168 PolarHBondContact O-N 3Å; V168-Q170 VanDerWaalsContact C-N 3.33Å; V168-Q170 PolarHBondContact O-N 3.09Å; V168-W171 WeakPolarHBondContact O-CB 3.45Å; V168-W171 PolarHBondContact O-N 2.84Å; V168-F172 HydrophobicContact CG1-CD2 3.87Å; V168-F172 HydrophobicContact CG1-CE2 3.68Å; V168-F172 WeakPolarHBondContact O-CD2 3.34Å; V168-F172 PolarHBondContact O-N 2.9Å |
| 169 | V | 94.8 | Very high | 89 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 177.9 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | L57 L59 F92 F165 T166 W171 F172 A173 V197 L201 | L57-V169 HydrophobicContact CD2-CG1 4.39Å; L59-V169 HydrophobicContact CD1-CG1 3.61Å; L59-V169 HydrophobicContact CD2-CB 4.5Å; L59-V169 HydrophobicContact CD2-CG1 3.84Å; L59-V169 HydrophobicContact CD2-CG2 3.77Å; L59-V169 HydrophobicContact CG-CG1 4.37Å; F92-V169 HydrophobicContact CE1-CG2 4.4Å; F92-V169 HydrophobicContact CZ-CG2 4.34Å; F165-V169 HydrophobicContact CD1-CG2 3.97Å; F165-V169 HydrophobicContact CE1-CG2 3.55Å; F165-V169 HydrophobicContact CE2-CG2 4.43Å; F165-V169 HydrophobicContact CZ-CG2 3.81Å; F165-V169 WeakPolarHBondContact O-CG2 3.48Å; F165-V169 PolarHBondContact O-N 3.02Å; T166-V169 PolarHBondContact O-N 3.29Å; V169-W171 VanDerWaalsContact C-N 3.32Å; V169-W171 PolarHBondContact O-N 3.47Å; V169-F172 PolarHBondContact O-N 3.02Å; V169-F172 VanDerWaalsContact O-N 3.17Å; V169-A173 WeakPolarHBondContact O-CB 3.36Å; V169-A173 PolarHBondContact O-N 2.96Å; V169-V197 HydrophobicContact CB-CG1 4.37Å; V169-V197 HydrophobicContact CG1-CG1 3.78Å; V169-V197 HydrophobicContact CG2-CG1 4.43Å; V169-L201 HydrophobicContact CG1-CD2 4.02Å |
| 170 | Q | 92.3 | Very high | 90.7 | Very high | 76 Ų | 76 | 29 Ų | 29 | 36% | 0.355 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -59.5 | -43.5 | 175 | -173.5 | -173.5 | -23.3 | 0 | 0 | 111.4 | T166 V168 F172 A173 E174 | T166-Q170 WeakPolarHBondContact O-CB 3.39Å; T166-Q170 PolarHBondContact O-N 2.97Å; V168-Q170 VanDerWaalsContact C-N 3.33Å; V168-Q170 PolarHBondContact O-N 3.09Å; Q170-F172 VanDerWaalsContact C-N 3.33Å; Q170-F172 PolarHBondContact O-N 2.83Å; Q170-A173 WeakPolarHBondContact O-CB 3.44Å; Q170-A173 PolarHBondContact O-N 3.35Å; Q170-E174 PolarHBondContact NE2-OE1 3.41Å; Q170-E174 WeakPolarHBondContact O-CG 3.31Å; Q170-E174 PolarHBondContact O-N 3.34Å |
| 171 | W | 92.6 | Very high | 91.9 | Very high | 7 Ų | 7 | 22.9 Ų | 22.9 | 3% | 0.027 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 174.9 | -176.2 | 84.9 | 0 | 0 | 0 | 111.5 | P115 F116 P118 L119 F122 A167 V168 V169 E174 H175 | P115-W171 WeakPolarHBondContact O-CH2 3.47Å; F116-W171 HydrophobicContact CD1-CH2 4.3Å; F116-W171 HydrophobicContact CD1-CZ3 4.5Å; P118-W171 HydrophobicContact CB-CZ2 3.91Å; P118-W171 HydrophobicContact CG-CZ2 4.2Å; L119-W171 HydrophobicContact CD1-CE3 4.23Å; L119-W171 HydrophobicContact CD1-CH2 4.12Å; L119-W171 HydrophobicContact CD1-CZ3 3.76Å; L119-W171 HydrophobicContact CD2-CD2 3.5Å; L119-W171 VanDerWaalsContact CD2-CD2 3.5Å; L119-W171 HydrophobicContact CD2-CE3 3.3Å; L119-W171 HydrophobicContact CD2-CG 4.11Å; L119-W171 HydrophobicContact CD2-CH2 4.22Å; L119-W171 HydrophobicContact CD2-CZ2 4.39Å; L119-W171 HydrophobicContact CD2-CZ3 3.69Å; L119-W171 HydrophobicContact CG-CD2 4.17Å; L119-W171 HydrophobicContact CG-CE3 3.88Å; L119-W171 HydrophobicContact CG-CH2 3.86Å; L119-W171 HydrophobicContact CG-CZ2 4.16Å; L119-W171 HydrophobicContact CG-CZ3 3.71Å; F122-W171 HydrophobicContact CE2-CB 4.16Å; F122-W171 HydrophobicContact CE2-CG 4.33Å; F122-W171 HydrophobicContact CZ-CB 4.14Å; A167-W171 PolarHBondContact O-N 2.92Å; V168-W171 WeakPolarHBondContact O-CB 3.45Å; V168-W171 PolarHBondContact O-N 2.84Å; V169-W171 VanDerWaalsContact C-N 3.32Å; V169-W171 PolarHBondContact O-N 3.47Å; W171-E174 WeakPolarHBondContact O-CB 3.5Å; W171-E174 PolarHBondContact O-N 3.32Å; W171-H175 AromaticContact CD1-CE1 3.65Å; W171-H175 AromaticContact CD2-ND1 3.81Å; W171-H175 AromaticContact CE2-CE1 3.5Å; W171-H175 AromaticContact CE2-ND1 3.62Å; W171-H175 AromaticContact CE2-NE2 3.94Å; W171-H175 AromaticContact CZ2-CE1 3.92Å; W171-H175 AromaticContact CZ2-ND1 3.96Å; W171-H175 AromaticContact CZ2-NE2 3.92Å; W171-H175 AromaticContact NE1-CE1 3.23Å; W171-H175 PolarHBondContact NE1-CE1 3.16Å; W171-H175 AromaticContact NE1-ND1 3.77Å; W171-H175 AromaticContact NE1-NE2 3.79Å; W171-H175 PolarHBondContact O-N 3.44Å; W171-H175 PolarHBondContact O-ND1 2.89Å |
| 172 | F | 94.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 174.7 | -78.6 | -67.6 | 0 | 0 | 0 | 111.7 | L57 F92 F116 L119 F130 I146 V168 V169 Q170 E174 H175 V176 | L57-F172 HydrophobicContact CD1-CB 3.96Å; L57-F172 HydrophobicContact CD1-CD2 4.47Å; L57-F172 HydrophobicContact CD1-CG 4.16Å; L57-F172 HydrophobicContact CD2-CB 3.79Å; L57-F172 HydrophobicContact CG-CB 4.44Å; F92-F172 HydrophobicContact CD1-CD2 4.21Å; F92-F172 AromaticContact CD1-CE2 3.64Å; F92-F172 HydrophobicContact CD1-CE2 3.64Å; F92-F172 HydrophobicContact CD1-CZ 4.45Å; F92-F172 HydrophobicContact CE1-CD2 4.15Å; F92-F172 AromaticContact CE1-CE2 3.98Å; F92-F172 HydrophobicContact CE1-CE2 3.98Å; F92-F172 HydrophobicContact CG-CE2 4.44Å; F116-F172 HydrophobicContact CE1-CE1 4.43Å; L119-F172 HydrophobicContact CD1-CE1 4.29Å; L119-F172 HydrophobicContact CD1-CZ 3.82Å; F130-F172 AromaticContact CE2-CZ 3.97Å; F130-F172 HydrophobicContact CE2-CZ 3.97Å; F130-F172 HydrophobicContact CZ-CZ 4.42Å; I146-F172 HydrophobicContact CD1-CD1 3.55Å; I146-F172 HydrophobicContact CD1-CE1 3.69Å; I146-F172 HydrophobicContact CD1-CG 4.49Å; I146-F172 HydrophobicContact CG1-CE1 4.34Å; I146-F172 HydrophobicContact CG2-CD1 4.49Å; I146-F172 HydrophobicContact CG2-CE1 4.21Å; I146-F172 HydrophobicContact CG2-CZ 4.28Å; V168-F172 HydrophobicContact CG1-CD2 3.87Å; V168-F172 HydrophobicContact CG1-CE2 3.68Å; V168-F172 WeakPolarHBondContact O-CD2 3.34Å; V168-F172 PolarHBondContact O-N 2.9Å; V169-F172 PolarHBondContact O-N 3.02Å; V169-F172 VanDerWaalsContact O-N 3.17Å; Q170-F172 VanDerWaalsContact C-N 3.33Å; Q170-F172 PolarHBondContact O-N 2.83Å; F172-E174 PolarHBondContact O-N 3.31Å; F172-H175 CarbonylContact O-C 3.5Å; F172-H175 PolarHBondContact O-N 3.1Å; F172-V176 HydrophobicContact CB-CG1 4.35Å; F172-V176 HydrophobicContact CD1-CG1 4.49Å; F172-V176 VanDerWaalsContact O-CG1 3.27Å; F172-V176 WeakPolarHBondContact O-CG1 3.44Å; F172-V176 VanDerWaalsContact O-CG2 3.27Å; F172-V176 WeakPolarHBondContact O-CG2 3.47Å; F172-V176 PolarHBondContact O-N 3.14Å |
| 173 | A | 92.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56 | -36.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V169 Q170 I179 L201 Y204 K207 | V169-A173 WeakPolarHBondContact O-CB 3.36Å; V169-A173 PolarHBondContact O-N 2.96Å; Q170-A173 WeakPolarHBondContact O-CB 3.44Å; Q170-A173 PolarHBondContact O-N 3.35Å; A173-I179 HydrophobicContact CB-CD1 3.63Å; A173-L201 HydrophobicContact CB-CD2 3.54Å; A173-Y204 HydrophobicContact CB-CD2 3.91Å; A173-Y204 HydrophobicContact CB-CE2 4.33Å; A173-Y204 HydrophobicContact CB-CG 4.34Å; A173-K207 PolarHBondContact O-NZ 3.07Å |
| 174 | E | 87.6 | Confident | 93.5 | Very high | 68 Ų | 68 | 19.5 Ų | 19.5 | 32% | 0.318 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -60.7 | -43.7 | 172.6 | -75.3 | 165.2 | -166.1 | 0 | 0 | 112.1 | Q170 W171 F172 Y204 K207 | Q170-E174 PolarHBondContact NE2-OE1 3.41Å; Q170-E174 WeakPolarHBondContact O-CG 3.31Å; Q170-E174 PolarHBondContact O-N 3.34Å; W171-E174 WeakPolarHBondContact O-CB 3.5Å; W171-E174 PolarHBondContact O-N 3.32Å; F172-E174 PolarHBondContact O-N 3.31Å; E174-Y204 HydrophobicContact CG-CE1 4.07Å; E174-Y204 HydrophobicContact CG-CE2 4.3Å; E174-Y204 WeakPolarHBondContact CG-OH 3.43Å; E174-K207 PolarHBondContact O-NZ 3.23Å |
| 175 | H | 89 | Confident | 93.7 | Very high | 60 Ų | 60 | 15.4 Ų | 15.4 | 28% | 0.278 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -98.7 | -17.4 | -168.3 | -61.6 | 73.9 | 0 | 0 | 0 | 114.7 | M55 W171 F172 | M55-H175 HydrophobicContact CE-CB 4.11Å; M55-H175 VanDerWaalsContact CE-O 3.23Å; M55-H175 WeakPolarHBondContact CE-O 3.3Å; W171-H175 AromaticContact CD1-CE1 3.65Å; W171-H175 AromaticContact CD2-ND1 3.81Å; W171-H175 AromaticContact CE2-CE1 3.5Å; W171-H175 AromaticContact CE2-ND1 3.62Å; W171-H175 AromaticContact CE2-NE2 3.94Å; W171-H175 AromaticContact CZ2-CE1 3.92Å; W171-H175 AromaticContact CZ2-ND1 3.96Å; W171-H175 AromaticContact CZ2-NE2 3.92Å; W171-H175 AromaticContact NE1-CE1 3.23Å; W171-H175 PolarHBondContact NE1-CE1 3.16Å; W171-H175 AromaticContact NE1-ND1 3.77Å; W171-H175 AromaticContact NE1-NE2 3.79Å; W171-H175 PolarHBondContact O-N 3.44Å; W171-H175 PolarHBondContact O-ND1 2.89Å; F172-H175 CarbonylContact O-C 3.5Å; F172-H175 PolarHBondContact O-N 3.1Å |
| 176 | V | 93.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | trans | -84.3 | 162.3 | 179.5 | -60.1 | 0 | 0 | 0 | 0 | 113 | M55 L57 I146 F172 I179 K207 | M55-V176 HydrophobicContact CB-CB 4.06Å; M55-V176 HydrophobicContact CB-CG1 3.69Å; L57-V176 HydrophobicContact CB-CB 4.37Å; L57-V176 HydrophobicContact CB-CG1 3.98Å; L57-V176 HydrophobicContact CB-CG2 3.99Å; I146-V176 HydrophobicContact CD1-CG1 3.67Å; F172-V176 HydrophobicContact CB-CG1 4.35Å; F172-V176 HydrophobicContact CD1-CG1 4.49Å; F172-V176 VanDerWaalsContact O-CG1 3.27Å; F172-V176 WeakPolarHBondContact O-CG1 3.44Å; F172-V176 VanDerWaalsContact O-CG2 3.27Å; F172-V176 WeakPolarHBondContact O-CG2 3.47Å; F172-V176 PolarHBondContact O-N 3.14Å; V176-I179 HydrophobicContact CG2-CD1 4.24Å; V176-I179 HydrophobicContact CG2-CG1 3.57Å; V176-K207 WeakPolarHBondContact O-CD 3.45Å; V176-K207 WeakPolarHBondContact O-CE 3.47Å; V176-K207 PolarHBondContact O-NZ 2.97Å | ||
| 177 | D | 93.6 | Very high | 93.6 | Very high | 14 Ų | 14 | 26.9 Ų | 26.9 | 8% | 0.075 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -97.5 | -28.3 | -178 | -55.8 | -112.5 | 0 | 0 | 0 | 112.1 | P54 M55 L279 R286 | P54-D177 WeakPolarHBondContact CA-OD2 3.42Å; P54-D177 HydrophobicContact CB-CB 4.14Å; M55-D177 PolarHBondContact N-OD2 2.88Å; M55-D177 PolarHBondContact O-N 3.02Å; D177-L279 HydrophobicContact CB-CD2 3.99Å; D177-R286 WeakPolarHBondContact OD1-CD 3.38Å; D177-R286 IonicContact OD1-CZ 3.66Å; D177-R286 IonicContact OD1-NE 3.57Å; D177-R286 PolarHBondContact OD1-NE 3.05Å; D177-R286 IonicContact OD1-NH1 2.87Å; D177-R286 PolarHBondContact OD1-NH1 3.48Å |
| 178 | R | 95.2 | Very high | 93.6 | Very high | 19 Ų | 19 | 28 Ų | 28 | 7% | 0.072 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 142.4 | 175.4 | -154.4 | 78.2 | 89.8 | -150.6 | -2.5 | 110.7 | M55 V56 L57 K207 R209 D275 L276 L279 | M55-R178 PolarHBondContact O-N 3.4Å; V56-R178 WeakPolarHBondContact CA-O 3.06Å; V56-R178 HydrophobicContact CG1-CB 4.37Å; V56-R178 HydrophobicContact CG2-CB 4.28Å; L57-R178 PolarHBondContact N-O 2.9Å; R178-K207 WeakPolarHBondContact CA-O 3.46Å; R178-K207 VanDerWaalsContact CD-O 3.31Å; R178-K207 WeakPolarHBondContact CD-O 3.46Å; R178-R209 HydrophobicContact CG-CG 4.08Å; R178-D275 VanDerWaalsContact CZ-CG 3.43Å; R178-D275 IonicContact CZ-OD1 3.32Å; R178-D275 VanDerWaalsContact CZ-OD1 3.24Å; R178-D275 IonicContact CZ-OD2 2.63Å; R178-D275 IonicContact NE-OD1 3.04Å; R178-D275 IonicContact NE-OD2 3.14Å; R178-D275 PolarHBondContact NE-OD2 3.15Å; R178-D275 IonicContact NH1-OD1 2.76Å; R178-D275 PolarHBondContact NH2-O 3.32Å; R178-D275 IonicContact NH2-OD1 3.15Å; R178-D275 PolarHBondContact NH2-OD1 3.43Å; R178-D275 IonicContact NH2-OD2 2.76Å; R178-D275 PolarHBondContact NH2-OD2 2.84Å; R178-L276 HydrophobicContact CB-CD2 4.46Å; R178-L276 HydrophobicContact CG-CD2 4.15Å; R178-L279 HydrophobicContact CB-CD1 4.17Å; R178-L279 HydrophobicContact CB-CD2 4.36Å |
| 179 | I | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.8 | 172.8 | -55 | 172.8 | 0 | 0 | 0 | 107.4 | L57 L59 A173 V176 L201 K207 V208 R209 | L57-I179 HydrophobicContact CB-CG1 4.44Å; L57-I179 HydrophobicContact CD2-CG1 4.43Å; L57-I179 HydrophobicContact CD2-CG2 4.31Å; L57-I179 CarbonylContact O-C 3.47Å; L57-I179 WeakPolarHBondContact O-CA 3.37Å; L59-I179 HydrophobicContact CD1-CG2 3.71Å; L59-I179 HydrophobicContact CG-CG2 4.37Å; A173-I179 HydrophobicContact CB-CD1 3.63Å; V176-I179 HydrophobicContact CG2-CD1 4.24Å; V176-I179 HydrophobicContact CG2-CG1 3.57Å; I179-L201 HydrophobicContact CD1-CD1 4.46Å; I179-L201 HydrophobicContact CD1-CD2 4Å; I179-L201 HydrophobicContact CG2-CD1 4.07Å; I179-K207 HydrophobicContact CD1-CB 4.45Å; I179-K207 HydrophobicContact CG1-CB 4.35Å; I179-K207 PolarHBondContact N-O 2.54Å; I179-V208 HydrophobicContact CB-CG2 4.34Å; I179-V208 HydrophobicContact CD1-CG2 4.48Å; I179-V208 CarbonylContact O-C 3.53Å; I179-V208 WeakPolarHBondContact O-CA 3.48Å; I179-R209 PolarHBondContact O-N 3.29Å |
| 180 | I | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 115.7 | 176 | -52.3 | -174.8 | 0 | 0 | 0 | 108.4 | V56 L57 L58 L59 F69 L182 R209 V211 L276 | V56-I180 HydrophobicContact CG1-CD1 3.73Å; V56-I180 HydrophobicContact CG1-CG1 3.88Å; L57-I180 PolarHBondContact O-N 3.44Å; L58-I180 HydrophobicContact CD2-CB 3.62Å; L58-I180 HydrophobicContact CD2-CD1 3.71Å; L58-I180 HydrophobicContact CD2-CG1 3.94Å; L58-I180 HydrophobicContact CD2-CG2 4.27Å; L59-I180 PolarHBondContact N-O 2.85Å; F69-I180 HydrophobicContact CE1-CD1 3.79Å; F69-I180 HydrophobicContact CZ-CD1 4.05Å; I180-L182 HydrophobicContact CB-CD1 4.15Å; I180-L182 HydrophobicContact CG2-CD1 3.59Å; I180-L182 HydrophobicContact CG2-CG 4.32Å; I180-R209 CarbonylContact C-O 3.54Å; I180-R209 VanDerWaalsContact CA-O 3.31Å; I180-R209 WeakPolarHBondContact CA-O 3.35Å; I180-V211 HydrophobicContact CG2-CB 4.1Å; I180-V211 HydrophobicContact CG2-CG2 3.44Å; I180-V211 VanDerWaalsContact CG2-CG2 3.44Å; I180-L276 HydrophobicContact CD1-CD1 4.16Å; I180-L276 HydrophobicContact CD1-CD2 4.16Å |
| 181 | L | 96.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 109.6 | 172.7 | -64.7 | 172.3 | 0 | 0 | 0 | 109.5 | L59 F183 F194 I198 L201 V208 R209 I210 V211 | L59-L181 HydrophobicContact CB-CD2 3.66Å; L59-L181 HydrophobicContact CD1-CD2 3.98Å; L59-L181 HydrophobicContact CG-CD2 4.48Å; L59-L181 WeakPolarHBondContact O-CA 3.36Å; L181-F183 HydrophobicContact CB-CE2 3.84Å; L181-F194 HydrophobicContact CD2-CE2 4Å; L181-F194 HydrophobicContact CD2-CZ 4.27Å; L181-I198 HydrophobicContact CD1-CG1 4.31Å; L181-I198 HydrophobicContact CD2-CG1 4.39Å; L181-L201 HydrophobicContact CD1-CD1 4.4Å; L181-L201 HydrophobicContact CD2-CD1 4.01Å; L181-V208 HydrophobicContact CD1-CG1 3.51Å; L181-V208 HydrophobicContact CG-CG1 4.04Å; L181-R209 PolarHBondContact N-O 3.4Å; L181-I210 HydrophobicContact CB-CG1 4.49Å; L181-I210 WeakPolarHBondContact O-CA 2.89Å; L181-V211 PolarHBondContact O-N 3.41Å |
| 182 | L | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.3 | 179.9 | -73.5 | 85 | 0 | 0 | 0 | 111.3 | L58 L59 K66 F69 I180 V211 | L58-L182 HydrophobicContact CB-CD1 4.25Å; L58-L182 HydrophobicContact CD2-CD1 4.15Å; L59-L182 PolarHBondContact O-N 3.46Å; K66-L182 HydrophobicContact CG-CD1 4.25Å; K66-L182 HydrophobicContact CG-CD2 4.24Å; F69-L182 HydrophobicContact CB-CD2 4.04Å; F69-L182 HydrophobicContact CD2-CD2 4.44Å; F69-L182 HydrophobicContact CG-CD2 4.25Å; I180-L182 HydrophobicContact CB-CD1 4.15Å; I180-L182 HydrophobicContact CG2-CD1 3.59Å; I180-L182 HydrophobicContact CG2-CG 4.32Å; L182-V211 WeakPolarHBondContact CA-O 3.31Å; L182-V211 HydrophobicContact CG-CB 4.36Å |
| 183 | F | 96.3 | Very high | 92 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.013 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 145.8 | 171 | -63.9 | -92.6 | 0 | 0 | 0 | 109.7 | L181 L188 I190 F194 I198 I210 V211 L212 N213 L230 L234 | L181-F183 HydrophobicContact CB-CE2 3.84Å; F183-L188 HydrophobicContact CB-CD1 4.1Å; F183-L188 HydrophobicContact CD1-CD1 4.02Å; F183-L188 HydrophobicContact CG-CD1 4.4Å; F183-I190 HydrophobicContact CD1-CG1 4.49Å; F183-I190 HydrophobicContact CE1-CD1 4.12Å; F183-I190 HydrophobicContact CE1-CG1 3.97Å; F183-F194 AromaticContact CD1-CE1 3.94Å; F183-F194 HydrophobicContact CD1-CE1 3.94Å; F183-F194 HydrophobicContact CE1-CD1 4.05Å; F183-F194 AromaticContact CE1-CE1 3.29Å; F183-F194 HydrophobicContact CE1-CE1 3.29Å; F183-F194 AromaticContact CE1-CZ 3.99Å; F183-F194 HydrophobicContact CE1-CZ 3.99Å; F183-F194 HydrophobicContact CE2-CE1 4.44Å; F183-F194 HydrophobicContact CE2-CZ 4.38Å; F183-F194 AromaticContact CZ-CE1 3.59Å; F183-F194 HydrophobicContact CZ-CE1 3.59Å; F183-F194 AromaticContact CZ-CZ 3.78Å; F183-F194 HydrophobicContact CZ-CZ 3.78Å; F183-I198 HydrophobicContact CZ-CD1 4.21Å; F183-I210 HydrophobicContact CD2-CG2 3.72Å; F183-I210 HydrophobicContact CE2-CG2 3.82Å; F183-V211 PolarHBondContact N-O 3.16Å; F183-L212 HydrophobicContact CB-CD1 4.13Å; F183-N213 WeakPolarHBondContact O-CB 3.35Å; F183-N213 PolarHBondContact O-N 2.87Å; F183-L230 HydrophobicContact CB-CD1 4.25Å; F183-L230 HydrophobicContact CD1-CD1 3.49Å; F183-L230 VanDerWaalsContact CD1-CD1 3.49Å; F183-L230 HydrophobicContact CD2-CD1 3.79Å; F183-L230 HydrophobicContact CD2-CD2 4.4Å; F183-L230 HydrophobicContact CE1-CD1 3.69Å; F183-L230 HydrophobicContact CE2-CD1 3.98Å; F183-L230 HydrophobicContact CG-CD1 3.56Å; F183-L230 HydrophobicContact CG-CD2 4.47Å; F183-L230 HydrophobicContact CZ-CD1 3.94Å; F183-L234 HydrophobicContact CE2-CD1 4.47Å; F183-L234 HydrophobicContact CE2-CD2 4.44Å; F183-L234 HydrophobicContact CZ-CD2 3.88Å |
| 184 | D | 94.6 | Very high | 92 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.064 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 119.3 | 175.4 | -172 | -31.9 | 0 | 0 | 0 | 109.2 | T64 Y186 K187 L188 K214 | T64-D184 HydrophobicContact CG2-CB 4.32Å; D184-Y186 VanDerWaalsContact C-N 3.26Å; D184-Y186 PolarHBondContact O-N 3.33Å; D184-Y186 WeakPolarHBondContact OD1-CA 3.34Å; D184-Y186 VanDerWaalsContact OD1-CB 3.31Å; D184-Y186 WeakPolarHBondContact OD1-CB 3.37Å; D184-Y186 PolarHBondContact OD1-N 3.39Å; D184-K187 CarbonylContact O-C 3.19Å; D184-K187 VanDerWaalsContact O-C 3.29Å; D184-K187 PolarHBondContact O-N 3.15Å; D184-K187 PolarHBondContact OD1-N 2.91Å; D184-L188 WeakPolarHBondContact O-CA 3.3Å; D184-L188 PolarHBondContact O-N 3.19Å; D184-K214 WeakPolarHBondContact OD2-CD 3.28Å; D184-K214 WeakPolarHBondContact OD2-CE 3.42Å; D184-K214 IonicContact OD2-NZ 3.34Å; D184-K214 PolarHBondContact OD2-NZ 2.9Å |
| 185 | A | 95.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -66 | -29.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L212 N213 A215 I218 V226 | A185-L212 HydrophobicContact CB-CD1 3.76Å; A185-L212 HydrophobicContact CB-CG 3.96Å; A185-N213 WeakPolarHBondContact CB-O 3.12Å; A185-N213 PolarHBondContact N-O 2.94Å; A185-A215 HydrophobicContact CB-CB 4.49Å; A185-I218 HydrophobicContact CB-CD1 3.85Å; A185-V226 HydrophobicContact CB-CG1 4.38Å |
| 186 | Y | 91 | Very high | 92.1 | Very high | 120 Ų | 120 | 40.2 Ų | 40.2 | 47% | 0.471 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -32.1 | -179.9 | -175.8 | -109.6 | 0 | 0 | 0 | 112.3 | D184 M217 I218 | D184-Y186 VanDerWaalsContact C-N 3.26Å; D184-Y186 PolarHBondContact O-N 3.33Å; D184-Y186 WeakPolarHBondContact OD1-CA 3.34Å; D184-Y186 VanDerWaalsContact OD1-CB 3.31Å; D184-Y186 WeakPolarHBondContact OD1-CB 3.37Å; D184-Y186 PolarHBondContact OD1-N 3.39Å; Y186-M217 HydrophobicContact CD2-CB 4.25Å; Y186-M217 HydrophobicContact CG-CB 4.41Å; Y186-I218 HydrophobicContact CD2-CG2 3.89Å |
| 187 | K | 89.3 | Confident | 92.1 | Very high | 156 Ų | 156 | 40.2 Ų | 40.2 | 68% | 0.678 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -131.1 | 61.5 | 179.4 | -66.7 | -178 | -177.1 | -176.9 | 0 | 110.9 | D184 D189 | D184-K187 CarbonylContact O-C 3.19Å; D184-K187 VanDerWaalsContact O-C 3.29Å; D184-K187 PolarHBondContact O-N 3.15Å; D184-K187 PolarHBondContact OD1-N 2.91Å; K187-D189 PolarHBondContact O-N 2.73Å; K187-D189 VanDerWaalsContact O-N 3.13Å |
| 188 | L | 91 | Very high | 92.1 | Very high | 51 Ų | 51 | 39.5 Ų | 39.5 | 27% | 0.267 | 18% | 0.18 | S | C | . | . | trans | -64.3 | 117.9 | 178.5 | -177.2 | 71.6 | 0 | 0 | 0 | 109.8 | F183 D184 V226 A229 L230 | F183-L188 HydrophobicContact CB-CD1 4.1Å; F183-L188 HydrophobicContact CD1-CD1 4.02Å; F183-L188 HydrophobicContact CG-CD1 4.4Å; D184-L188 WeakPolarHBondContact O-CA 3.3Å; D184-L188 PolarHBondContact O-N 3.19Å; L188-V226 HydrophobicContact CB-CG1 4.02Å; L188-V226 HydrophobicContact CD2-CG1 3.98Å; L188-V226 WeakPolarHBondContact CD2-O 3.42Å; L188-V226 HydrophobicContact CG-CG1 4.43Å; L188-A229 HydrophobicContact CD2-CB 3.92Å; L188-L230 HydrophobicContact CD1-CB 4.18Å; L188-L230 HydrophobicContact CD1-CD1 3.83Å; L188-L230 HydrophobicContact CD2-CB 4.01Å | ||
| 189 | D | 87.5 | Confident | 91.9 | Very high | 82 Ų | 82 | 41.3 Ų | 41.3 | 44% | 0.439 | 19% | 0.189 | S | C | . | . | trans | -145.8 | 147.9 | 174 | 177.6 | 41.8 | 0 | 0 | 0 | 108.8 | Q61 K187 | Q61-D189 PolarHBondContact NE2-O 2.77Å; Q61-D189 PolarHBondContact NE2-OD2 3.08Å; K187-D189 PolarHBondContact O-N 2.73Å; K187-D189 VanDerWaalsContact O-N 3.13Å | ||
| 190 | I | 87.1 | Confident | 91.6 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 23% | 0.231 | 20% | 0.196 | C | C | . | . | trans | -131.9 | 85.4 | 174.3 | -48.7 | -174.6 | 0 | 0 | 0 | 107.1 | F183 F194 L230 | F183-I190 HydrophobicContact CD1-CG1 4.49Å; F183-I190 HydrophobicContact CE1-CD1 4.12Å; F183-I190 HydrophobicContact CE1-CG1 3.97Å; I190-F194 HydrophobicContact CG2-CD1 4.46Å; I190-L230 HydrophobicContact CD1-CD1 4.35Å | ||
| 191 | S | 86.8 | Confident | 91.2 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | trans | -63 | 159.5 | 179.1 | 64.1 | 0 | 0 | 0 | 0 | 112.8 | Q61 E193 F194 R195 | Q61-S191 VanDerWaalsContact OE1-CB 3.24Å; Q61-S191 PolarHBondContact OE1-OG 3.13Å; S191-E193 PolarHBondContact O-N 2.96Å; S191-F194 PolarHBondContact O-N 3.29Å; S191-F194 PolarHBondContact OG-N 3.26Å; S191-R195 WeakPolarHBondContact O-CB 3.4Å; S191-R195 PolarHBondContact O-N 2.99Å | ||
| 192 | D | 87.1 | Confident | 90.7 | Very high | 124 Ų | 124 | 48.4 Ų | 48.4 | 66% | 0.663 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -59.9 | -32.6 | 178.4 | -68.1 | -34.9 | 0 | 0 | 0 | 113.2 | R196 | D192-R196 WeakPolarHBondContact O-CG 3.4Å; D192-R196 PolarHBondContact O-N 3.42Å; D192-R196 VanDerWaalsContact O-N 3.12Å; D192-R196 PolarHBondContact O-NE 3.32Å |
| 193 | E | 86.9 | Confident | 90 | Very high | 7 Ų | 7 | 50.9 Ų | 50.9 | 3% | 0.033 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.1 | -44.8 | 173.2 | -168.3 | 179.2 | 138.6 | 0 | 0 | 111.2 | I151 R161 S191 R195 R196 V197 | I151-E193 HydrophobicContact CG2-CB 4.01Å; I151-E193 HydrophobicContact CG2-CG 3.9Å; R161-E193 IonicContact CZ-OE1 2.66Å; R161-E193 IonicContact NH1-OE1 2.71Å; R161-E193 PolarHBondContact NH1-OE1 3.38Å; R161-E193 IonicContact NH2-OE1 2.76Å; R161-E193 PolarHBondContact NH2-OE1 3.43Å; R161-E193 IonicContact NH2-OE2 3.58Å; S191-E193 PolarHBondContact O-N 2.96Å; E193-R195 VanDerWaalsContact C-N 3.29Å; E193-R195 PolarHBondContact O-N 3.44Å; E193-R196 PolarHBondContact O-N 2.84Å; E193-V197 WeakPolarHBondContact O-CG2 3.39Å; E193-V197 PolarHBondContact O-N 3.37Å |
| 194 | F | 91.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 178.1 | -167.2 | -163.8 | 0 | 0 | 0 | 111.5 | Q61 I151 L181 F183 I190 S191 R196 V197 I198 | Q61-F194 HydrophobicContact CG-CB 4.19Å; Q61-F194 HydrophobicContact CG-CD1 3.37Å; Q61-F194 HydrophobicContact CG-CE1 3.9Å; Q61-F194 HydrophobicContact CG-CG 3.99Å; I151-F194 HydrophobicContact CD1-CB 4.45Å; I151-F194 HydrophobicContact CD1-CD2 3.28Å; I151-F194 HydrophobicContact CD1-CE2 3.68Å; I151-F194 HydrophobicContact CD1-CG 4.06Å; I151-F194 HydrophobicContact CG2-CB 3.98Å; L181-F194 HydrophobicContact CD2-CE2 4Å; L181-F194 HydrophobicContact CD2-CZ 4.27Å; F183-F194 AromaticContact CD1-CE1 3.94Å; F183-F194 HydrophobicContact CD1-CE1 3.94Å; F183-F194 HydrophobicContact CE1-CD1 4.05Å; F183-F194 AromaticContact CE1-CE1 3.29Å; F183-F194 HydrophobicContact CE1-CE1 3.29Å; F183-F194 AromaticContact CE1-CZ 3.99Å; F183-F194 HydrophobicContact CE1-CZ 3.99Å; F183-F194 HydrophobicContact CE2-CE1 4.44Å; F183-F194 HydrophobicContact CE2-CZ 4.38Å; F183-F194 AromaticContact CZ-CE1 3.59Å; F183-F194 HydrophobicContact CZ-CE1 3.59Å; F183-F194 AromaticContact CZ-CZ 3.78Å; F183-F194 HydrophobicContact CZ-CZ 3.78Å; I190-F194 HydrophobicContact CG2-CD1 4.46Å; S191-F194 PolarHBondContact O-N 3.29Å; S191-F194 PolarHBondContact OG-N 3.26Å; F194-R196 PolarHBondContact O-N 3.04Å; F194-V197 WeakPolarHBondContact O-CB 3.38Å; F194-V197 PolarHBondContact O-N 2.9Å; F194-I198 HydrophobicContact CD1-CD1 4.43Å; F194-I198 HydrophobicContact CD2-CD1 3.99Å; F194-I198 HydrophobicContact CD2-CG1 3.99Å; F194-I198 HydrophobicContact CE1-CD1 4.43Å; F194-I198 HydrophobicContact CE2-CD1 3.97Å; F194-I198 HydrophobicContact CE2-CG1 3.93Å; F194-I198 HydrophobicContact CG-CD1 4.25Å; F194-I198 HydrophobicContact CZ-CD1 4.2Å; F194-I198 WeakPolarHBondContact O-CG1 3.36Å; F194-I198 PolarHBondContact O-N 2.86Å |
| 195 | R | 90.5 | Very high | 89.2 | Confident | 113 Ų | 113 | 54.3 Ų | 54.3 | 43% | 0.426 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -55.8 | -49.3 | 172.3 | -178.6 | 176.2 | 170.2 | -158.1 | -4.8 | 112 | S191 E193 V197 I198 E199 V237 | S191-R195 WeakPolarHBondContact O-CB 3.4Å; S191-R195 PolarHBondContact O-N 2.99Å; E193-R195 VanDerWaalsContact C-N 3.29Å; E193-R195 PolarHBondContact O-N 3.44Å; R195-V197 VanDerWaalsContact C-N 3.3Å; R195-V197 PolarHBondContact O-N 2.98Å; R195-I198 PolarHBondContact O-N 2.77Å; R195-E199 IonicContact CZ-OE1 3.28Å; R195-E199 VanDerWaalsContact CZ-OE1 3.3Å; R195-E199 IonicContact NE-OE1 3.68Å; R195-E199 PolarHBondContact NE-OE1 2.95Å; R195-E199 IonicContact NH2-OE1 2.74Å; R195-E199 PolarHBondContact NH2-OE1 3.43Å; R195-E199 WeakPolarHBondContact O-CG 3.38Å; R195-E199 PolarHBondContact O-N 2.75Å; R195-V237 HydrophobicContact CG-CB 4.43Å; R195-V237 HydrophobicContact CG-CG1 3.75Å; R195-V237 HydrophobicContact CG-CG2 3.74Å |
| 196 | R | 89.4 | Confident | 88.9 | Confident | 84 Ų | 84 | 59.3 Ų | 59.3 | 32% | 0.317 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.8 | -37.4 | 177.1 | -75.4 | 178.9 | -68.4 | 177.9 | 1.2 | 112.7 | D192 E193 F194 E199 S200 | D192-R196 WeakPolarHBondContact O-CG 3.4Å; D192-R196 PolarHBondContact O-N 3.42Å; D192-R196 VanDerWaalsContact O-N 3.12Å; D192-R196 PolarHBondContact O-NE 3.32Å; E193-R196 PolarHBondContact O-N 2.84Å; F194-R196 PolarHBondContact O-N 3.04Å; R196-E199 PolarHBondContact O-N 2.9Å; R196-S200 PolarHBondContact O-N 3.22Å |
| 197 | V | 92.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 174.4 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | L59 I151 F165 V169 E193 F194 R195 E199 S200 L201 | L59-V197 HydrophobicContact CD1-CG1 4.29Å; I151-V197 HydrophobicContact CD1-CB 4.2Å; I151-V197 HydrophobicContact CD1-CG1 4.09Å; I151-V197 HydrophobicContact CD1-CG2 4.16Å; F165-V197 HydrophobicContact CD1-CG2 3.89Å; F165-V197 HydrophobicContact CE1-CG2 3.79Å; V169-V197 HydrophobicContact CB-CG1 4.37Å; V169-V197 HydrophobicContact CG1-CG1 3.78Å; V169-V197 HydrophobicContact CG2-CG1 4.43Å; E193-V197 WeakPolarHBondContact O-CG2 3.39Å; E193-V197 PolarHBondContact O-N 3.37Å; F194-V197 WeakPolarHBondContact O-CB 3.38Å; F194-V197 PolarHBondContact O-N 2.9Å; R195-V197 VanDerWaalsContact C-N 3.3Å; R195-V197 PolarHBondContact O-N 2.98Å; V197-E199 VanDerWaalsContact C-N 3.33Å; V197-E199 PolarHBondContact O-N 2.69Å; V197-S200 WeakPolarHBondContact O-CB 3.37Å; V197-S200 PolarHBondContact O-N 3.26Å; V197-S200 VanDerWaalsContact O-N 3.09Å; V197-S200 PolarHBondContact O-OG 3.28Å; V197-L201 WeakPolarHBondContact O-CG 3.04Å; V197-L201 PolarHBondContact O-N 3.39Å |
| 198 | I | 93.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 176.4 | -62.8 | 165 | 0 | 0 | 0 | 111 | L181 F183 F194 R195 S200 L201 L234 V237 L238 | L181-I198 HydrophobicContact CD1-CG1 4.31Å; L181-I198 HydrophobicContact CD2-CG1 4.39Å; F183-I198 HydrophobicContact CZ-CD1 4.21Å; F194-I198 HydrophobicContact CD1-CD1 4.43Å; F194-I198 HydrophobicContact CD2-CD1 3.99Å; F194-I198 HydrophobicContact CD2-CG1 3.99Å; F194-I198 HydrophobicContact CE1-CD1 4.43Å; F194-I198 HydrophobicContact CE2-CD1 3.97Å; F194-I198 HydrophobicContact CE2-CG1 3.93Å; F194-I198 HydrophobicContact CG-CD1 4.25Å; F194-I198 HydrophobicContact CZ-CD1 4.2Å; F194-I198 WeakPolarHBondContact O-CG1 3.36Å; F194-I198 PolarHBondContact O-N 2.86Å; R195-I198 PolarHBondContact O-N 2.77Å; I198-S200 PolarHBondContact O-N 3.26Å; I198-L201 WeakPolarHBondContact O-CB 3.31Å; I198-L201 PolarHBondContact O-N 3.27Å; I198-L234 HydrophobicContact CD1-CD2 4.14Å; I198-V237 HydrophobicContact CB-CG1 3.81Å; I198-V237 HydrophobicContact CG2-CB 4.49Å; I198-V237 HydrophobicContact CG2-CG1 3.62Å; I198-L238 HydrophobicContact CG2-CD2 3.58Å; I198-L238 HydrophobicContact CG2-CG 4.23Å |
| 199 | E | 91.7 | Very high | 89.3 | Confident | 56 Ų | 56 | 46.6 Ų | 46.6 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.2 | -31.1 | 175.5 | -72.7 | 171.3 | 173.8 | 0 | 0 | 112.4 | R195 R196 V197 L201 R202 V237 | R195-E199 IonicContact CZ-OE1 3.28Å; R195-E199 VanDerWaalsContact CZ-OE1 3.3Å; R195-E199 IonicContact NE-OE1 3.68Å; R195-E199 PolarHBondContact NE-OE1 2.95Å; R195-E199 IonicContact NH2-OE1 2.74Å; R195-E199 PolarHBondContact NH2-OE1 3.43Å; R195-E199 WeakPolarHBondContact O-CG 3.38Å; R195-E199 PolarHBondContact O-N 2.75Å; R196-E199 PolarHBondContact O-N 2.9Å; V197-E199 VanDerWaalsContact C-N 3.33Å; V197-E199 PolarHBondContact O-N 2.69Å; E199-L201 PolarHBondContact O-N 2.75Å; E199-R202 WeakPolarHBondContact O-CB 3.47Å; E199-R202 VanDerWaalsContact O-CG 3.3Å; E199-R202 WeakPolarHBondContact O-CG 3.34Å; E199-R202 PolarHBondContact O-N 3.25Å; E199-V237 HydrophobicContact CG-CG1 3.8Å |
| 200 | S | 89.7 | Confident | 89.7 | Confident | 21 Ų | 21 | 42.8 Ų | 42.8 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -71.2 | -15 | 174.4 | 78 | 0 | 0 | 0 | 0 | 113.8 | R196 V197 I198 R202 | R196-S200 PolarHBondContact O-N 3.22Å; V197-S200 WeakPolarHBondContact O-CB 3.37Å; V197-S200 PolarHBondContact O-N 3.26Å; V197-S200 VanDerWaalsContact O-N 3.09Å; V197-S200 PolarHBondContact O-OG 3.28Å; I198-S200 PolarHBondContact O-N 3.26Å; S200-R202 VanDerWaalsContact C-N 3.35Å |
| 201 | L | 90.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -4 | 176.2 | -55.6 | -177 | 0 | 0 | 0 | 113.7 | L59 V169 A173 I179 L181 V197 I198 E199 G203 Y204 V208 | L59-L201 HydrophobicContact CD1-CD1 3.92Å; L59-L201 HydrophobicContact CD1-CD2 4.35Å; V169-L201 HydrophobicContact CG1-CD2 4.02Å; A173-L201 HydrophobicContact CB-CD2 3.54Å; I179-L201 HydrophobicContact CD1-CD1 4.46Å; I179-L201 HydrophobicContact CD1-CD2 4Å; I179-L201 HydrophobicContact CG2-CD1 4.07Å; L181-L201 HydrophobicContact CD1-CD1 4.4Å; L181-L201 HydrophobicContact CD2-CD1 4.01Å; V197-L201 WeakPolarHBondContact O-CG 3.04Å; V197-L201 PolarHBondContact O-N 3.39Å; I198-L201 WeakPolarHBondContact O-CB 3.31Å; I198-L201 PolarHBondContact O-N 3.27Å; E199-L201 PolarHBondContact O-N 2.75Å; L201-G203 PolarHBondContact O-N 3.5Å; L201-Y204 WeakPolarHBondContact O-CB 3.39Å; L201-Y204 WeakPolarHBondContact O-CD2 3.44Å; L201-Y204 PolarHBondContact O-N 2.94Å; L201-V208 HydrophobicContact CD1-CG2 4.38Å |
| 202 | R | 85.7 | Confident | 90.8 | Very high | 127 Ų | 127 | 40 Ų | 40 | 48% | 0.479 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 129.5 | 178.2 | -75.5 | 179.7 | 179.7 | 178.8 | 5 | 111.1 | E199 S200 V237 L238 | E199-R202 WeakPolarHBondContact O-CB 3.47Å; E199-R202 VanDerWaalsContact O-CG 3.3Å; E199-R202 WeakPolarHBondContact O-CG 3.34Å; E199-R202 PolarHBondContact O-N 3.25Å; S200-R202 VanDerWaalsContact C-N 3.35Å; R202-V237 PolarHBondContact NE-O 2.83Å; R202-V237 PolarHBondContact NH2-O 2.98Å; R202-L238 PolarHBondContact NE-O 3.02Å |
| 203 | G | 82.6 | Confident | 91.3 | Very high | 53 Ų | 53 | 34.2 Ų | 34.2 | 55% | 0.546 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.1 | -5.7 | -174 | 0 | 0 | 0 | 0 | 0 | 114.1 | L201 D205 | L201-G203 PolarHBondContact O-N 3.5Å; G203-D205 PolarHBondContact N-OD2 2.94Å |
| 204 | Y | 87.6 | Confident | 91.7 | Very high | 50 Ų | 50 | 35.6 Ų | 35.6 | 20% | 0.196 | 17% | 0.169 | C | C | . | . | trans | -117.8 | 19.8 | 170.2 | -47.8 | -70.8 | 0 | 0 | 0 | 111.5 | A173 E174 L201 D206 K207 | A173-Y204 HydrophobicContact CB-CD2 3.91Å; A173-Y204 HydrophobicContact CB-CE2 4.33Å; A173-Y204 HydrophobicContact CB-CG 4.34Å; E174-Y204 HydrophobicContact CG-CE1 4.07Å; E174-Y204 HydrophobicContact CG-CE2 4.3Å; E174-Y204 WeakPolarHBondContact CG-OH 3.43Å; L201-Y204 WeakPolarHBondContact O-CB 3.39Å; L201-Y204 WeakPolarHBondContact O-CD2 3.44Å; L201-Y204 PolarHBondContact O-N 2.94Å; Y204-D206 PolarHBondContact O-N 3.27Å; Y204-K207 WeakPolarHBondContact O-CB 3.47Å; Y204-K207 PolarHBondContact O-N 3.15Å | ||
| 205 | D | 87 | Confident | 92 | Very high | 36 Ų | 36 | 35.6 Ų | 35.6 | 19% | 0.193 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -57.2 | -32.5 | -174.4 | -54.8 | -85.6 | 0 | 0 | 0 | 112.3 | G203 K207 V208 | G203-D205 PolarHBondContact N-OD2 2.94Å; D205-K207 PolarHBondContact O-N 2.92Å; D205-V208 WeakPolarHBondContact O-CB 3.46Å; D205-V208 PolarHBondContact O-N 3.19Å; D205-V208 VanDerWaalsContact O-N 3.1Å |
| 206 | D | 87.3 | Confident | 92.2 | Very high | 107 Ų | 107 | 30.3 Ų | 30.3 | 57% | 0.572 | 15% | 0.149 | S | C | * | . | G | 310 helix | trans | -63.7 | -27.6 | 176.4 | 66 | -59.2 | 0 | 0 | 0 | 113.4 | Y204 R209 | Y204-D206 PolarHBondContact O-N 3.27Å; D206-R209 PolarHBondContact O-NH1 2.93Å |
| 207 | K | 91.2 | Very high | 92.5 | Very high | 12 Ų | 12 | 28.5 Ų | 28.5 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -82.1 | -19 | 176.7 | -52.9 | -173.4 | -177.5 | -175 | 0 | 112.5 | A173 E174 V176 R178 I179 Y204 D205 | A173-K207 PolarHBondContact O-NZ 3.07Å; E174-K207 PolarHBondContact O-NZ 3.23Å; V176-K207 WeakPolarHBondContact O-CD 3.45Å; V176-K207 WeakPolarHBondContact O-CE 3.47Å; V176-K207 PolarHBondContact O-NZ 2.97Å; R178-K207 WeakPolarHBondContact CA-O 3.46Å; R178-K207 VanDerWaalsContact CD-O 3.31Å; R178-K207 WeakPolarHBondContact CD-O 3.46Å; I179-K207 HydrophobicContact CD1-CB 4.45Å; I179-K207 HydrophobicContact CG1-CB 4.35Å; I179-K207 PolarHBondContact N-O 2.54Å; Y204-K207 WeakPolarHBondContact O-CB 3.47Å; Y204-K207 PolarHBondContact O-N 3.15Å; D205-K207 PolarHBondContact O-N 2.92Å |
| 208 | V | 94 | Very high | 92.6 | Very high | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 135.6 | -172.8 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | I179 L181 L201 D205 I210 V244 | I179-V208 HydrophobicContact CB-CG2 4.34Å; I179-V208 HydrophobicContact CD1-CG2 4.48Å; I179-V208 CarbonylContact O-C 3.53Å; I179-V208 WeakPolarHBondContact O-CA 3.48Å; L181-V208 HydrophobicContact CD1-CG1 3.51Å; L181-V208 HydrophobicContact CG-CG1 4.04Å; L201-V208 HydrophobicContact CD1-CG2 4.38Å; D205-V208 WeakPolarHBondContact O-CB 3.46Å; D205-V208 PolarHBondContact O-N 3.19Å; D205-V208 VanDerWaalsContact O-N 3.1Å; V208-I210 HydrophobicContact CG1-CG1 4.41Å; V208-V244 HydrophobicContact CG1-CG1 4.21Å |
| 209 | R | 95.5 | Very high | 92.6 | Very high | 47 Ų | 47 | 32 Ų | 32 | 18% | 0.177 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 132.2 | 168.1 | -66.4 | -55.6 | 179.3 | -94.5 | 0.7 | 108 | R178 I179 I180 L181 D206 F247 D275 | R178-R209 HydrophobicContact CG-CG 4.08Å; I179-R209 PolarHBondContact O-N 3.29Å; I180-R209 CarbonylContact C-O 3.54Å; I180-R209 VanDerWaalsContact CA-O 3.31Å; I180-R209 WeakPolarHBondContact CA-O 3.35Å; L181-R209 PolarHBondContact N-O 3.4Å; D206-R209 PolarHBondContact O-NH1 2.93Å; R209-F247 HydrophobicContact CB-CD2 4.35Å; R209-F247 HydrophobicContact CB-CE2 3.83Å; R209-F247 HydrophobicContact CG-CE2 3.94Å; R209-D275 IonicContact CZ-OD1 2.75Å; R209-D275 IonicContact NE-OD1 2.92Å; R209-D275 PolarHBondContact NE-OD1 2.97Å; R209-D275 VanDerWaalsContact NE-OD1 3.1Å; R209-D275 IonicContact NE-OD2 3.43Å; R209-D275 IonicContact NH2-OD1 2.93Å; R209-D275 PolarHBondContact NH2-OD1 3.34Å |
| 210 | I | 96.7 | Very high | 92.8 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 135.6 | 179.3 | -61.9 | 150.9 | 0 | 0 | 0 | 108.1 | L181 F183 V208 L230 L234 V244 R245 V246 F247 | L181-I210 HydrophobicContact CB-CG1 4.49Å; L181-I210 WeakPolarHBondContact O-CA 2.89Å; F183-I210 HydrophobicContact CD2-CG2 3.72Å; F183-I210 HydrophobicContact CE2-CG2 3.82Å; V208-I210 HydrophobicContact CG1-CG1 4.41Å; I210-L230 HydrophobicContact CG2-CD2 4.04Å; I210-L234 HydrophobicContact CD1-CD1 3.33Å; I210-L234 HydrophobicContact CG1-CD1 4.03Å; I210-L234 HydrophobicContact CG2-CD1 4.23Å; I210-V244 HydrophobicContact CD1-CB 3.64Å; I210-V244 HydrophobicContact CD1-CG1 3.46Å; I210-V244 VanDerWaalsContact CD1-CG1 3.46Å; I210-V244 HydrophobicContact CG1-CG1 3.97Å; I210-R245 PolarHBondContact N-O 2.94Å; I210-V246 HydrophobicContact CB-CB 4.39Å; I210-V246 HydrophobicContact CB-CG2 3.94Å; I210-V246 HydrophobicContact CD1-CG2 3.98Å; I210-V246 HydrophobicContact CG2-CB 4.4Å; I210-V246 HydrophobicContact CG2-CG1 4.07Å; I210-V246 HydrophobicContact CG2-CG2 3.92Å; I210-V246 CarbonylContact O-C 3.57Å; I210-V246 WeakPolarHBondContact O-CA 3.49Å; I210-F247 WeakPolarHBondContact O-CD2 3.33Å; I210-F247 PolarHBondContact O-N 3.41Å |
| 211 | V | 97.9 | Very high | 93 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 115.7 | 175.1 | 174 | 0 | 0 | 0 | 0 | 108.4 | I180 L181 L182 F183 N213 F247 F251 L272 | I180-V211 HydrophobicContact CG2-CB 4.1Å; I180-V211 HydrophobicContact CG2-CG2 3.44Å; I180-V211 VanDerWaalsContact CG2-CG2 3.44Å; L181-V211 PolarHBondContact O-N 3.41Å; L182-V211 WeakPolarHBondContact CA-O 3.31Å; L182-V211 HydrophobicContact CG-CB 4.36Å; F183-V211 PolarHBondContact N-O 3.16Å; V211-N213 HydrophobicContact CG1-CB 4.23Å; V211-N213 PolarHBondContact O-N 2.97Å; V211-F247 CarbonylContact C-O 3.32Å; V211-F247 WeakPolarHBondContact CA-O 3.4Å; V211-F247 HydrophobicContact CG2-CB 4.34Å; V211-F247 HydrophobicContact CG2-CD2 4.36Å; V211-F251 HydrophobicContact CG1-CD2 3.7Å; V211-F251 HydrophobicContact CG1-CE2 3.35Å; V211-F251 HydrophobicContact CG1-CZ 4.18Å; V211-L272 HydrophobicContact CG2-CD2 3.85Å |
| 212 | L | 97.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 90.3 | 169.7 | -177 | 57.9 | 0 | 0 | 0 | 108 | F183 A185 L223 V226 Y227 L230 V246 F247 I248 G249 | F183-L212 HydrophobicContact CB-CD1 4.13Å; A185-L212 HydrophobicContact CB-CD1 3.76Å; A185-L212 HydrophobicContact CB-CG 3.96Å; L212-L223 HydrophobicContact CD2-CD1 4.09Å; L212-V226 HydrophobicContact CD1-CG1 4.13Å; L212-V226 HydrophobicContact CD2-CG1 4.31Å; L212-Y227 HydrophobicContact CD2-CD2 4.34Å; L212-L230 HydrophobicContact CB-CD2 4.41Å; L212-L230 HydrophobicContact CD1-CD2 4.28Å; L212-V246 HydrophobicContact CB-CG1 4.03Å; L212-F247 PolarHBondContact N-O 2.86Å; L212-I248 HydrophobicContact CB-CG1 4.47Å; L212-G249 PolarHBondContact O-N 3.21Å; L212-G249 VanDerWaalsContact O-N 3.14Å; L212-G249 VanDerWaalsContact O-O 3.13Å |
| 213 | N | 97.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.011 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 160.8 | -173.6 | -163 | 17.4 | 0 | 0 | 0 | 111.8 | T64 F183 A185 V211 A215 G249 F251 | T64-N213 PolarHBondContact O-ND2 3.22Å; F183-N213 WeakPolarHBondContact O-CB 3.35Å; F183-N213 PolarHBondContact O-N 2.87Å; A185-N213 WeakPolarHBondContact CB-O 3.12Å; A185-N213 PolarHBondContact N-O 2.94Å; V211-N213 HydrophobicContact CG1-CB 4.23Å; V211-N213 PolarHBondContact O-N 2.97Å; N213-A215 PolarHBondContact O-N 3.42Å; N213-G249 CarbonylContact C-O 3.45Å; N213-G249 VanDerWaalsContact CA-O 3.28Å; N213-G249 WeakPolarHBondContact CA-O 3.49Å; N213-F251 PolarHBondContact OD1-N 3.19Å |
| 214 | K | 96.4 | Very high | 94.3 | Very high | 36 Ų | 36 | 38.7 Ų | 38.7 | 16% | 0.157 | 19% | 0.191 | C | C | . | . | trans | 59 | 31.4 | -179.3 | -45.2 | -172.3 | -166 | 164.3 | 0 | 113.1 | S63 D184 D216 M217 G249 S250 W252 | S63-K214 WeakPolarHBondContact O-CE 3.44Å; S63-K214 PolarHBondContact O-NZ 3.03Å; D184-K214 WeakPolarHBondContact OD2-CD 3.28Å; D184-K214 WeakPolarHBondContact OD2-CE 3.42Å; D184-K214 IonicContact OD2-NZ 3.34Å; D184-K214 PolarHBondContact OD2-NZ 2.9Å; K214-D216 PolarHBondContact O-N 3.46Å; K214-M217 HydrophobicContact CB-CG 3.99Å; K214-M217 VanDerWaalsContact O-CB 3.32Å; K214-M217 WeakPolarHBondContact O-CB 3.16Å; K214-M217 PolarHBondContact O-N 3Å; K214-M217 VanDerWaalsContact O-N 3.08Å; K214-G249 PolarHBondContact N-O 3.41Å; K214-S250 VanDerWaalsContact CA-OG 3.31Å; K214-S250 WeakPolarHBondContact CA-OG 3.34Å; K214-W252 HydrophobicContact CB-CH2 4.1Å; K214-W252 HydrophobicContact CB-CZ3 4.48Å; K214-W252 HydrophobicContact CD-CH2 4Å; K214-W252 HydrophobicContact CD-CZ3 3.79Å; K214-W252 HydrophobicContact CG-CH2 3.82Å; K214-W252 HydrophobicContact CG-CZ3 3.71Å | ||
| 215 | A | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -63.2 | -23.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A185 N213 M217 L223 I248 G249 S250 F265 | A185-A215 HydrophobicContact CB-CB 4.49Å; N213-A215 PolarHBondContact O-N 3.42Å; A215-M217 PolarHBondContact O-N 2.93Å; A215-L223 HydrophobicContact CB-CD1 3.84Å; A215-L223 HydrophobicContact CB-CD2 4.46Å; A215-I248 HydrophobicContact CB-CG2 3.59Å; A215-G249 PolarHBondContact N-O 2.98Å; A215-S250 PolarHBondContact N-OG 3.4Å; A215-S250 VanDerWaalsContact N-OG 3.16Å; A215-F265 HydrophobicContact CB-CD1 4.26Å; A215-F265 HydrophobicContact CB-CE1 3.51Å; A215-F265 HydrophobicContact CB-CZ 3.73Å |
| 216 | D | 95.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.011 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -71.2 | -9.2 | 174.4 | 79.3 | -53.3 | 0 | 0 | 0 | 114.3 | K214 I218 S250 W252 L256 R257 Y258 F265 | K214-D216 PolarHBondContact O-N 3.46Å; D216-I218 VanDerWaalsContact C-N 3.32Å; D216-S250 WeakPolarHBondContact CB-OG 3.26Å; D216-S250 PolarHBondContact N-OG 2.85Å; D216-S250 VanDerWaalsContact N-OG 3.14Å; D216-S250 VanDerWaalsContact OD1-CB 3.24Å; D216-S250 WeakPolarHBondContact OD1-CB 3.48Å; D216-S250 PolarHBondContact OD1-OG 3.18Å; D216-W252 VanDerWaalsContact OD1-CZ2 3.29Å; D216-W252 WeakPolarHBondContact OD1-CZ2 3.23Å; D216-L256 HydrophobicContact CB-CB 4.16Å; D216-L256 HydrophobicContact CB-CD2 3.67Å; D216-L256 HydrophobicContact CB-CG 4.49Å; D216-L256 WeakPolarHBondContact OD2-CA 3.4Å; D216-R257 WeakPolarHBondContact O-CB 3.41Å; D216-R257 PolarHBondContact OD2-N 3.42Å; D216-Y258 WeakPolarHBondContact O-CB 3.44Å; D216-Y258 VanDerWaalsContact O-CD2 3.29Å; D216-Y258 WeakPolarHBondContact O-CD2 3.33Å; D216-Y258 PolarHBondContact O-N 2.92Å; D216-F265 HydrophobicContact CB-CE2 3.92Å |
| 217 | M | 94.5 | Very high | 95.5 | Very high | 47 Ų | 47 | 42.4 Ų | 42.4 | 23% | 0.232 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -84.1 | -6.5 | -178.2 | -68.4 | -66.3 | -69.5 | 0 | 0 | 113.9 | Y186 K214 A215 W252 R257 | Y186-M217 HydrophobicContact CD2-CB 4.25Å; Y186-M217 HydrophobicContact CG-CB 4.41Å; K214-M217 HydrophobicContact CB-CG 3.99Å; K214-M217 VanDerWaalsContact O-CB 3.32Å; K214-M217 WeakPolarHBondContact O-CB 3.16Å; K214-M217 PolarHBondContact O-N 3Å; K214-M217 VanDerWaalsContact O-N 3.08Å; A215-M217 PolarHBondContact O-N 2.93Å; M217-W252 HydrophobicContact CG-CH2 4.03Å; M217-W252 HydrophobicContact CG-CZ2 4.33Å; M217-W252 HydrophobicContact SD-CH2 4.23Å; M217-W252 HydrophobicContact SD-CZ2 4.37Å; M217-R257 HydrophobicContact SD-CB 4.3Å |
| 218 | I | 95.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -131.8 | 156.6 | -177.9 | 59.1 | 178.5 | 0 | 0 | 0 | 110.2 | A185 Y186 D216 Q222 L223 V226 | A185-I218 HydrophobicContact CB-CD1 3.85Å; Y186-I218 HydrophobicContact CD2-CG2 3.89Å; D216-I218 VanDerWaalsContact C-N 3.32Å; I218-Q222 HydrophobicContact CB-CB 4.13Å; I218-Q222 HydrophobicContact CB-CG 4.05Å; I218-Q222 HydrophobicContact CD1-CG 4.2Å; I218-Q222 HydrophobicContact CG2-CG 4.19Å; I218-L223 VanDerWaalsContact CD1-CA 3.49Å; I218-L223 HydrophobicContact CD1-CB 3.95Å; I218-L223 HydrophobicContact CD1-CD1 3.96Å; I218-L223 HydrophobicContact CG1-CB 4.13Å; I218-L223 HydrophobicContact CG1-CD1 4.43Å; I218-V226 HydrophobicContact CD1-CB 4.3Å; I218-V226 HydrophobicContact CD1-CG2 4.04Å |
| 219 | D | 94.5 | Very high | 95.7 | Very high | 71 Ų | 71 | 46 Ų | 46 | 38% | 0.38 | 23% | 0.232 | S | C | . | . | trans | -72.9 | 168.9 | 175.8 | 70.9 | 43.6 | 0 | 0 | 0 | 112.5 | Q221 Q222 L223 | D219-Q221 VanDerWaalsContact C-N 3.3Å; D219-Q221 PolarHBondContact O-N 2.6Å; D219-Q221 WeakPolarHBondContact OD1-CA 3.42Å; D219-Q221 PolarHBondContact OD1-N 3.09Å; D219-Q222 PolarHBondContact O-N 3.37Å; D219-Q222 WeakPolarHBondContact OD1-CB 3.44Å; D219-Q222 PolarHBondContact OD1-N 3.31Å; D219-L223 WeakPolarHBondContact O-CB 3.32Å; D219-L223 PolarHBondContact O-N 3.45Å | ||
| 220 | S | 94.4 | Very high | 95.6 | Very high | 45 Ų | 45 | 43.8 Ų | 43.8 | 32% | 0.315 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.5 | -34.1 | -177.6 | -52.9 | 0 | 0 | 0 | 0 | 113.8 | M224 N261 | S220-M224 WeakPolarHBondContact O-CG 3.43Å; S220-M224 PolarHBondContact O-N 3.18Å; S220-N261 PolarHBondContact OG-ND2 3.37Å; S220-N261 PolarHBondContact OG-OD1 3.42Å; S220-N261 VanDerWaalsContact OG-OD1 3.08Å |
| 221 | Q | 94.2 | Very high | 95.5 | Very high | 138 Ų | 138 | 45.9 Ų | 45.9 | 65% | 0.645 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -73.2 | -44.1 | -179.8 | -67.8 | -169.9 | -1.9 | 0 | 0 | 111.1 | D219 L223 M224 R225 | D219-Q221 VanDerWaalsContact C-N 3.3Å; D219-Q221 PolarHBondContact O-N 2.6Å; D219-Q221 WeakPolarHBondContact OD1-CA 3.42Å; D219-Q221 PolarHBondContact OD1-N 3.09Å; Q221-L223 VanDerWaalsContact C-N 3.31Å; Q221-M224 PolarHBondContact O-N 3.42Å; Q221-R225 WeakPolarHBondContact O-CG 3.42Å; Q221-R225 PolarHBondContact O-N 2.88Å; Q221-R225 VanDerWaalsContact O-N 3.16Å |
| 222 | Q | 95 | Very high | 95.1 | Very high | 79 Ų | 79 | 54.7 Ų | 54.7 | 37% | 0.369 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 175.2 | -172.9 | 176.4 | 2.2 | 0 | 0 | 110.6 | I218 D219 M224 R225 V226 | I218-Q222 HydrophobicContact CB-CB 4.13Å; I218-Q222 HydrophobicContact CB-CG 4.05Å; I218-Q222 HydrophobicContact CD1-CG 4.2Å; I218-Q222 HydrophobicContact CG2-CG 4.19Å; D219-Q222 PolarHBondContact O-N 3.37Å; D219-Q222 WeakPolarHBondContact OD1-CB 3.44Å; D219-Q222 PolarHBondContact OD1-N 3.31Å; Q222-M224 VanDerWaalsContact C-N 3.35Å; Q222-M224 PolarHBondContact O-N 3.02Å; Q222-R225 PolarHBondContact O-N 3.31Å; Q222-R225 VanDerWaalsContact O-N 3.17Å; Q222-V226 HydrophobicContact CG-CG2 4.27Å; Q222-V226 WeakPolarHBondContact O-CB 3.28Å; Q222-V226 VanDerWaalsContact O-CG2 3.3Å; Q222-V226 WeakPolarHBondContact O-CG2 3.15Å; Q222-V226 PolarHBondContact O-N 3.44Å |
| 223 | L | 96.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57 | -46.2 | 175.5 | -178.3 | 60.6 | 0 | 0 | 0 | 112.1 | L212 A215 I218 D219 Q221 R225 V226 Y227 I248 F265 | L212-L223 HydrophobicContact CD2-CD1 4.09Å; A215-L223 HydrophobicContact CB-CD1 3.84Å; A215-L223 HydrophobicContact CB-CD2 4.46Å; I218-L223 VanDerWaalsContact CD1-CA 3.49Å; I218-L223 HydrophobicContact CD1-CB 3.95Å; I218-L223 HydrophobicContact CD1-CD1 3.96Å; I218-L223 HydrophobicContact CG1-CB 4.13Å; I218-L223 HydrophobicContact CG1-CD1 4.43Å; D219-L223 WeakPolarHBondContact O-CB 3.32Å; D219-L223 PolarHBondContact O-N 3.45Å; Q221-L223 VanDerWaalsContact C-N 3.31Å; L223-R225 VanDerWaalsContact C-N 3.35Å; L223-R225 PolarHBondContact O-N 2.96Å; L223-V226 PolarHBondContact O-N 3.22Å; L223-Y227 VanDerWaalsContact O-CB 3.28Å; L223-Y227 WeakPolarHBondContact O-CB 3.29Å; L223-Y227 PolarHBondContact O-N 3.03Å; L223-I248 HydrophobicContact CD1-CG2 3.96Å; L223-I248 HydrophobicContact CD2-CG2 4.14Å; L223-F265 HydrophobicContact CD2-CE1 3.93Å; L223-F265 HydrophobicContact CD2-CZ 4.25Å |
| 224 | M | 95.5 | Very high | 94.4 | Very high | 131 Ų | 131 | 55.6 Ų | 55.6 | 65% | 0.645 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63 | -39.1 | 176.8 | -69.9 | -57.9 | -64.9 | 0 | 0 | 112.7 | S220 Q221 Q222 G228 | S220-M224 WeakPolarHBondContact O-CG 3.43Å; S220-M224 PolarHBondContact O-N 3.18Å; Q221-M224 PolarHBondContact O-N 3.42Å; Q222-M224 VanDerWaalsContact C-N 3.35Å; Q222-M224 PolarHBondContact O-N 3.02Å; M224-G228 PolarHBondContact O-N 3.1Å |
| 225 | R | 95.9 | Very high | 94 | Very high | 179 Ų | 179 | 56.5 Ų | 56.5 | 68% | 0.675 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.2 | -44.8 | 175.8 | -68.5 | 176.1 | -173.1 | 162.6 | 5.5 | 111.7 | Q221 Q222 L223 G228 A229 | Q221-R225 WeakPolarHBondContact O-CG 3.42Å; Q221-R225 PolarHBondContact O-N 2.88Å; Q221-R225 VanDerWaalsContact O-N 3.16Å; Q222-R225 PolarHBondContact O-N 3.31Å; Q222-R225 VanDerWaalsContact O-N 3.17Å; L223-R225 VanDerWaalsContact C-N 3.35Å; L223-R225 PolarHBondContact O-N 2.96Å; R225-G228 PolarHBondContact O-N 2.9Å; R225-A229 WeakPolarHBondContact O-CB 3.26Å; R225-A229 PolarHBondContact O-N 3.39Å |
| 226 | V | 95.8 | Very high | 93.4 | Very high | 18 Ų | 18 | 62.9 Ų | 62.9 | 11% | 0.109 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.1 | -45.6 | 178 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | A185 L188 L212 I218 Q222 L223 G228 A229 L230 | A185-V226 HydrophobicContact CB-CG1 4.38Å; L188-V226 HydrophobicContact CB-CG1 4.02Å; L188-V226 HydrophobicContact CD2-CG1 3.98Å; L188-V226 WeakPolarHBondContact CD2-O 3.42Å; L188-V226 HydrophobicContact CG-CG1 4.43Å; L212-V226 HydrophobicContact CD1-CG1 4.13Å; L212-V226 HydrophobicContact CD2-CG1 4.31Å; I218-V226 HydrophobicContact CD1-CB 4.3Å; I218-V226 HydrophobicContact CD1-CG2 4.04Å; Q222-V226 HydrophobicContact CG-CG2 4.27Å; Q222-V226 WeakPolarHBondContact O-CB 3.28Å; Q222-V226 VanDerWaalsContact O-CG2 3.3Å; Q222-V226 WeakPolarHBondContact O-CG2 3.15Å; Q222-V226 PolarHBondContact O-N 3.44Å; L223-V226 PolarHBondContact O-N 3.22Å; V226-G228 PolarHBondContact O-N 2.93Å; V226-A229 PolarHBondContact O-N 3.21Å; V226-L230 WeakPolarHBondContact O-CB 3.41Å; V226-L230 PolarHBondContact O-N 2.9Å |
| 227 | Y | 95.6 | Very high | 93 | Very high | 74 Ų | 74 | 63.1 Ų | 63.1 | 29% | 0.29 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -58.4 | -47.7 | 175.5 | 178.1 | -102.9 | 0 | 0 | 0 | 111.7 | L212 L223 A229 L230 M231 V246 I248 | L212-Y227 HydrophobicContact CD2-CD2 4.34Å; L223-Y227 VanDerWaalsContact O-CB 3.28Å; L223-Y227 WeakPolarHBondContact O-CB 3.29Å; L223-Y227 PolarHBondContact O-N 3.03Å; Y227-A229 PolarHBondContact O-N 2.74Å; Y227-L230 PolarHBondContact O-N 3.1Å; Y227-M231 HydrophobicContact CE1-CG 4.11Å; Y227-M231 HydrophobicContact CE2-CG 4.15Å; Y227-M231 HydrophobicContact CE2-SD 4.41Å; Y227-M231 WeakPolarHBondContact O-CG 3.36Å; Y227-M231 PolarHBondContact O-N 3.38Å; Y227-V246 HydrophobicContact CD2-CG1 4.29Å; Y227-V246 HydrophobicContact CE2-CB 3.88Å; Y227-V246 HydrophobicContact CE2-CG1 3.92Å; Y227-V246 HydrophobicContact CE2-CG2 4.16Å; Y227-I248 HydrophobicContact CD2-CD1 3.72Å; Y227-I248 HydrophobicContact CD2-CG1 4.34Å; Y227-I248 HydrophobicContact CE2-CD1 3.96Å; Y227-I248 HydrophobicContact CG-CD1 4.37Å |
| 228 | G | 94.5 | Very high | 92.5 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 38% | 0.381 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | M224 R225 V226 M231 W232 | M224-G228 PolarHBondContact O-N 3.1Å; R225-G228 PolarHBondContact O-N 2.9Å; V226-G228 PolarHBondContact O-N 2.93Å; G228-M231 PolarHBondContact O-N 3.05Å; G228-W232 WeakPolarHBondContact O-CB 3.37Å; G228-W232 PolarHBondContact O-N 2.97Å |
| 229 | A | 94 | Very high | 91.8 | Very high | 53 Ų | 53 | 64.1 Ų | 64.1 | 44% | 0.438 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L188 R225 V226 Y227 W232 G233 | L188-A229 HydrophobicContact CD2-CB 3.92Å; R225-A229 WeakPolarHBondContact O-CB 3.26Å; R225-A229 PolarHBondContact O-N 3.39Å; V226-A229 PolarHBondContact O-N 3.21Å; Y227-A229 PolarHBondContact O-N 2.74Å; A229-W232 PolarHBondContact O-N 3.23Å; A229-G233 PolarHBondContact O-N 2.82Å |
| 230 | L | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.7 | -51 | 175.7 | 175.1 | 69.5 | 0 | 0 | 0 | 110.8 | F183 L188 I190 I210 L212 V226 Y227 W232 G233 L234 V246 | F183-L230 HydrophobicContact CB-CD1 4.25Å; F183-L230 HydrophobicContact CD1-CD1 3.49Å; F183-L230 VanDerWaalsContact CD1-CD1 3.49Å; F183-L230 HydrophobicContact CD2-CD1 3.79Å; F183-L230 HydrophobicContact CD2-CD2 4.4Å; F183-L230 HydrophobicContact CE1-CD1 3.69Å; F183-L230 HydrophobicContact CE2-CD1 3.98Å; F183-L230 HydrophobicContact CG-CD1 3.56Å; F183-L230 HydrophobicContact CG-CD2 4.47Å; F183-L230 HydrophobicContact CZ-CD1 3.94Å; L188-L230 HydrophobicContact CD1-CB 4.18Å; L188-L230 HydrophobicContact CD1-CD1 3.83Å; L188-L230 HydrophobicContact CD2-CB 4.01Å; I190-L230 HydrophobicContact CD1-CD1 4.35Å; I210-L230 HydrophobicContact CG2-CD2 4.04Å; L212-L230 HydrophobicContact CB-CD2 4.41Å; L212-L230 HydrophobicContact CD1-CD2 4.28Å; V226-L230 WeakPolarHBondContact O-CB 3.41Å; V226-L230 PolarHBondContact O-N 2.9Å; Y227-L230 PolarHBondContact O-N 3.1Å; L230-W232 VanDerWaalsContact C-N 3.31Å; L230-W232 PolarHBondContact O-N 2.86Å; L230-G233 PolarHBondContact O-N 2.72Å; L230-G233 VanDerWaalsContact O-N 3.16Å; L230-L234 HydrophobicContact CD1-CD1 3.86Å; L230-L234 HydrophobicContact CD1-CG 4.03Å; L230-L234 HydrophobicContact CG-CD1 3.9Å; L230-L234 HydrophobicContact CG-CG 4.36Å; L230-L234 WeakPolarHBondContact O-CB 3.45Å; L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 2.77Å; L230-V246 HydrophobicContact CD2-CG1 4.32Å |
| 231 | M | 92.8 | Very high | 90.5 | Very high | 45 Ų | 45 | 66.9 Ų | 66.9 | 22% | 0.222 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.3 | -41 | -179.9 | -68.3 | -54.9 | -68.4 | 0 | 0 | 111.9 | Y227 G228 L234 G235 V243 V246 | Y227-M231 HydrophobicContact CE1-CG 4.11Å; Y227-M231 HydrophobicContact CE2-CG 4.15Å; Y227-M231 HydrophobicContact CE2-SD 4.41Å; Y227-M231 WeakPolarHBondContact O-CG 3.36Å; Y227-M231 PolarHBondContact O-N 3.38Å; G228-M231 PolarHBondContact O-N 3.05Å; M231-L234 PolarHBondContact O-N 2.61Å; M231-G235 PolarHBondContact O-N 3.37Å; M231-V243 HydrophobicContact CE-CG1 3.41Å; M231-V243 VanDerWaalsContact CE-CG1 3.41Å; M231-V246 HydrophobicContact SD-CG2 3.43Å; M231-V246 WeakPolarHBondContact SD-CG2 3.38Å |
| 232 | W | 91 | Very high | 90.1 | Very high | 184 Ų | 184 | 67.5 Ų | 67.5 | 70% | 0.697 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.1 | -43.1 | 174.3 | -179 | -99 | 0 | 0 | 0 | 112.5 | G228 A229 L230 | G228-W232 WeakPolarHBondContact O-CB 3.37Å; G228-W232 PolarHBondContact O-N 2.97Å; A229-W232 PolarHBondContact O-N 3.23Å; L230-W232 VanDerWaalsContact C-N 3.31Å; L230-W232 PolarHBondContact O-N 2.86Å |
| 233 | G | 89.9 | Confident | 89.6 | Confident | 18 Ų | 18 | 69.6 Ų | 69.6 | 19% | 0.186 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.8 | -49.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | A229 L230 K236 V237 | A229-G233 PolarHBondContact O-N 2.82Å; L230-G233 PolarHBondContact O-N 2.72Å; L230-G233 VanDerWaalsContact O-N 3.16Å; G233-K236 PolarHBondContact O-N 2.83Å; G233-V237 WeakPolarHBondContact O-CG2 3.32Å |
| 234 | L | 90.4 | Very high | 89.1 | Confident | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.016 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66.8 | -37.8 | -178.1 | -71.1 | 179.5 | 0 | 0 | 0 | 113.4 | F183 I198 I210 L230 M231 K236 V237 L238 | F183-L234 HydrophobicContact CE2-CD1 4.47Å; F183-L234 HydrophobicContact CE2-CD2 4.44Å; F183-L234 HydrophobicContact CZ-CD2 3.88Å; I198-L234 HydrophobicContact CD1-CD2 4.14Å; I210-L234 HydrophobicContact CD1-CD1 3.33Å; I210-L234 HydrophobicContact CG1-CD1 4.03Å; I210-L234 HydrophobicContact CG2-CD1 4.23Å; L230-L234 HydrophobicContact CD1-CD1 3.86Å; L230-L234 HydrophobicContact CD1-CG 4.03Å; L230-L234 HydrophobicContact CG-CD1 3.9Å; L230-L234 HydrophobicContact CG-CG 4.36Å; L230-L234 WeakPolarHBondContact O-CB 3.45Å; L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 2.77Å; M231-L234 PolarHBondContact O-N 2.61Å; L234-K236 PolarHBondContact O-N 2.92Å; L234-V237 PolarHBondContact O-N 2.77Å; L234-L238 HydrophobicContact CB-CD1 4.12Å; L234-L238 PolarHBondContact O-N 3.18Å |
| 235 | G | 86.6 | Confident | 88.9 | Confident | 55 Ų | 55 | 68.8 Ų | 68.8 | 57% | 0.567 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -57.5 | -31.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | M231 | M231-G235 PolarHBondContact O-N 3.37Å |
| 236 | K | 85.2 | Confident | 88.9 | Confident | 134 Ų | 134 | 60.4 Ų | 60.4 | 58% | 0.583 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -77 | -24.7 | 175.8 | -65.9 | -178.5 | 179.9 | -173.5 | 0 | 113.8 | G233 L234 | G233-K236 PolarHBondContact O-N 2.83Å; L234-K236 PolarHBondContact O-N 2.92Å |
| 237 | V | 87.2 | Confident | 89 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 5% | 0.048 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -99.8 | -47.7 | -168.9 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | R195 I198 E199 R202 G233 L234 G239 | R195-V237 HydrophobicContact CG-CB 4.43Å; R195-V237 HydrophobicContact CG-CG1 3.75Å; R195-V237 HydrophobicContact CG-CG2 3.74Å; I198-V237 HydrophobicContact CB-CG1 3.81Å; I198-V237 HydrophobicContact CG2-CB 4.49Å; I198-V237 HydrophobicContact CG2-CG1 3.62Å; E199-V237 HydrophobicContact CG-CG1 3.8Å; R202-V237 PolarHBondContact NE-O 2.83Å; R202-V237 PolarHBondContact NH2-O 2.98Å; G233-V237 WeakPolarHBondContact O-CG2 3.32Å; L234-V237 PolarHBondContact O-N 2.77Å; V237-G239 VanDerWaalsContact C-N 3.34Å; V237-G239 PolarHBondContact O-N 3Å |
| 238 | L | 84.5 | Confident | 89.1 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.6 | -40.4 | -177.5 | -69.5 | 169.3 | 0 | 0 | 0 | 111.3 | I198 R202 L234 T240 V244 | I198-L238 HydrophobicContact CG2-CD2 3.58Å; I198-L238 HydrophobicContact CG2-CG 4.23Å; R202-L238 PolarHBondContact NE-O 3.02Å; L234-L238 HydrophobicContact CB-CD1 4.12Å; L234-L238 PolarHBondContact O-N 3.18Å; L238-T240 HydrophobicContact CB-CG2 4.1Å; L238-T240 PolarHBondContact O-N 3.17Å; L238-V244 HydrophobicContact CD1-CB 4.37Å; L238-V244 HydrophobicContact CD1-CG2 3.66Å |
| 239 | G | 79.5 | Confident | 89.1 | Confident | 58 Ų | 58 | 55.5 Ų | 55.5 | 60% | 0.598 | 32% | 0.316 | S | S | * | . | trans | 69 | 17.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | V237 | V237-G239 VanDerWaalsContact C-N 3.34Å; V237-G239 PolarHBondContact O-N 3Å | ||
| 240 | T | 80.3 | Confident | 89.2 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 25% | 0.252 | 30% | 0.301 | S | S | . | . | trans | -99.9 | 143.2 | 169 | 173.4 | 0 | 0 | 0 | 0 | 110 | L238 E242 | L238-T240 HydrophobicContact CB-CG2 4.1Å; L238-T240 PolarHBondContact O-N 3.17Å; T240-E242 WeakPolarHBondContact CG2-O 3.49Å; T240-E242 PolarHBondContact O-N 2.89Å; T240-E242 PolarHBondContact OG1-N 3.38Å; T240-E242 VanDerWaalsContact OG1-N 3.09Å | ||
| 241 | P | 82 | Confident | 89.2 | Confident | 132 Ų | 132 | 53.9 Ų | 53.9 | 86% | 0.857 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -68.1 | -17 | 170.2 | 29.5 | -35.5 | 0 | 0 | 0 | 112.7 | ||
| 242 | E | 84.6 | Confident | 89.1 | Confident | 152 Ų | 152 | 53.7 Ų | 53.7 | 71% | 0.71 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -81.6 | 131.4 | -178.8 | -61.8 | -178.1 | 176.4 | 0 | 0 | 111.4 | T240 V244 | T240-E242 WeakPolarHBondContact CG2-O 3.49Å; T240-E242 PolarHBondContact O-N 2.89Å; T240-E242 PolarHBondContact OG1-N 3.38Å; T240-E242 VanDerWaalsContact OG1-N 3.09Å; E242-V244 PolarHBondContact O-N 3.24Å |
| 243 | V | 84.4 | Confident | 88.9 | Confident | 122 Ų | 122 | 50 Ų | 50 | 74% | 0.739 | 29% | 0.292 | S | S | * | . | P | Polyproline II helix | trans | -80.4 | 120.8 | 179.1 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | M231 | M231-V243 HydrophobicContact CE-CG1 3.41Å; M231-V243 VanDerWaalsContact CE-CG1 3.41Å |
| 244 | V | 87 | Confident | 88.9 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 13% | 0.127 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -75 | 138.2 | 177.6 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | V208 I210 L238 E242 V246 | V208-V244 HydrophobicContact CG1-CG1 4.21Å; I210-V244 HydrophobicContact CD1-CB 3.64Å; I210-V244 HydrophobicContact CD1-CG1 3.46Å; I210-V244 VanDerWaalsContact CD1-CG1 3.46Å; I210-V244 HydrophobicContact CG1-CG1 3.97Å; L238-V244 HydrophobicContact CD1-CB 4.37Å; L238-V244 HydrophobicContact CD1-CG2 3.66Å; E242-V244 PolarHBondContact O-N 3.24Å; V244-V246 PolarHBondContact O-N 3.25Å |
| 245 | R | 91.3 | Very high | 88.9 | Confident | 99 Ų | 99 | 63.5 Ų | 63.5 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -65 | 127.9 | 175.3 | -178.7 | 65.9 | 167.8 | 120.4 | -8.4 | 110.8 | I210 F247 E268 D271 | I210-R245 PolarHBondContact N-O 2.94Å; R245-F247 HydrophobicContact CG-CD1 4.41Å; R245-F247 HydrophobicContact CG-CE1 3.84Å; R245-F247 HydrophobicContact CG-CE2 4.11Å; R245-F247 HydrophobicContact CG-CZ 3.69Å; R245-E268 IonicContact CZ-OE1 2.99Å; R245-E268 VanDerWaalsContact CZ-OE1 3.32Å; R245-E268 IonicContact CZ-OE2 3.83Å; R245-E268 IonicContact NH1-OE1 3.3Å; R245-E268 PolarHBondContact NH1-OE1 2.81Å; R245-E268 IonicContact NH1-OE2 3.37Å; R245-E268 PolarHBondContact NH1-OE2 3.41Å; R245-E268 IonicContact NH2-OE1 3.72Å; R245-E268 PolarHBondContact NH2-OE1 3.42Å; R245-E268 IonicContact NH2-OE2 3.81Å; R245-E268 PolarHBondContact NH2-OE2 3.06Å; R245-D271 IonicContact NH2-OD2 2.67Å; R245-D271 PolarHBondContact NH2-OD2 2.98Å |
| 246 | V | 95.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130.5 | 171.4 | 180 | 0 | 0 | 0 | 0 | 108.9 | I210 L212 Y227 L230 M231 V244 I248 | I210-V246 HydrophobicContact CB-CB 4.39Å; I210-V246 HydrophobicContact CB-CG2 3.94Å; I210-V246 HydrophobicContact CD1-CG2 3.98Å; I210-V246 HydrophobicContact CG2-CB 4.4Å; I210-V246 HydrophobicContact CG2-CG1 4.07Å; I210-V246 HydrophobicContact CG2-CG2 3.92Å; I210-V246 CarbonylContact O-C 3.57Å; I210-V246 WeakPolarHBondContact O-CA 3.49Å; L212-V246 HydrophobicContact CB-CG1 4.03Å; Y227-V246 HydrophobicContact CD2-CG1 4.29Å; Y227-V246 HydrophobicContact CE2-CB 3.88Å; Y227-V246 HydrophobicContact CE2-CG1 3.92Å; Y227-V246 HydrophobicContact CE2-CG2 4.16Å; L230-V246 HydrophobicContact CD2-CG1 4.32Å; M231-V246 HydrophobicContact SD-CG2 3.43Å; M231-V246 WeakPolarHBondContact SD-CG2 3.38Å; V244-V246 PolarHBondContact O-N 3.25Å; V246-I248 HydrophobicContact CG1-CG1 4.22Å |
| 247 | F | 97.8 | Very high | 89.5 | Confident | 6 Ų | 6 | 63.7 Ų | 63.7 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 125.3 | 171.3 | -55.7 | -78.3 | 0 | 0 | 0 | 110 | R209 I210 V211 L212 R245 E268 D271 L272 | R209-F247 HydrophobicContact CB-CD2 4.35Å; R209-F247 HydrophobicContact CB-CE2 3.83Å; R209-F247 HydrophobicContact CG-CE2 3.94Å; I210-F247 WeakPolarHBondContact O-CD2 3.33Å; I210-F247 PolarHBondContact O-N 3.41Å; V211-F247 CarbonylContact C-O 3.32Å; V211-F247 WeakPolarHBondContact CA-O 3.4Å; V211-F247 HydrophobicContact CG2-CB 4.34Å; V211-F247 HydrophobicContact CG2-CD2 4.36Å; L212-F247 PolarHBondContact N-O 2.86Å; R245-F247 HydrophobicContact CG-CD1 4.41Å; R245-F247 HydrophobicContact CG-CE1 3.84Å; R245-F247 HydrophobicContact CG-CE2 4.11Å; R245-F247 HydrophobicContact CG-CZ 3.69Å; F247-E268 WeakPolarHBondContact CA-OE2 3.44Å; F247-E268 WeakPolarHBondContact CD1-O 3.36Å; F247-D271 HydrophobicContact CD1-CB 4.25Å; F247-D271 HydrophobicContact CE1-CB 3.83Å; F247-L272 HydrophobicContact CB-CB 4.4Å; F247-L272 HydrophobicContact CB-CD2 4.46Å; F247-L272 HydrophobicContact CD1-CB 3.83Å; F247-L272 HydrophobicContact CD2-CB 4.18Å; F247-L272 HydrophobicContact CD2-CD1 3.71Å; F247-L272 HydrophobicContact CD2-CD2 4.5Å; F247-L272 HydrophobicContact CD2-CG 4.34Å; F247-L272 HydrophobicContact CE1-CB 4.07Å; F247-L272 HydrophobicContact CE2-CB 4.36Å; F247-L272 HydrophobicContact CE2-CD1 3.64Å; F247-L272 HydrophobicContact CG-CB 3.88Å; F247-L272 HydrophobicContact CG-CD1 4.29Å; F247-L272 HydrophobicContact CG-CG 4.44Å; F247-L272 HydrophobicContact CZ-CB 4.32Å; F247-L272 HydrophobicContact CZ-CD1 4.21Å |
| 248 | I | 97.2 | Very high | 89.7 | Confident | 18 Ų | 18 | 68.2 Ų | 68.2 | 9% | 0.092 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 124.3 | -175 | -54 | 175.8 | 0 | 0 | 0 | 109 | L212 A215 L223 Y227 V246 F265 E268 | L212-I248 HydrophobicContact CB-CG1 4.47Å; A215-I248 HydrophobicContact CB-CG2 3.59Å; L223-I248 HydrophobicContact CD1-CG2 3.96Å; L223-I248 HydrophobicContact CD2-CG2 4.14Å; Y227-I248 HydrophobicContact CD2-CD1 3.72Å; Y227-I248 HydrophobicContact CD2-CG1 4.34Å; Y227-I248 HydrophobicContact CE2-CD1 3.96Å; Y227-I248 HydrophobicContact CG-CD1 4.37Å; V246-I248 HydrophobicContact CG1-CG1 4.22Å; I248-F265 HydrophobicContact CG2-CD1 4.21Å; I248-F265 HydrophobicContact CG2-CE1 3.94Å; I248-E268 HydrophobicContact CB-CG 4.45Å; I248-E268 VanDerWaalsContact O-CB 3.24Å; I248-E268 WeakPolarHBondContact O-CB 3.46Å |
| 249 | G | 95.7 | Very high | 90 | Very high | 2 Ų | 2 | 72.4 Ų | 72.4 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | S | Bend | trans | 175.1 | -168.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | L212 N213 K214 A215 | L212-G249 PolarHBondContact O-N 3.21Å; L212-G249 VanDerWaalsContact O-N 3.14Å; L212-G249 VanDerWaalsContact O-O 3.13Å; N213-G249 CarbonylContact C-O 3.45Å; N213-G249 VanDerWaalsContact CA-O 3.28Å; N213-G249 WeakPolarHBondContact CA-O 3.49Å; K214-G249 PolarHBondContact N-O 3.41Å; A215-G249 PolarHBondContact N-O 2.98Å |
| 250 | S | 95.7 | Very high | 90.7 | Very high | 18 Ų | 18 | 73.5 Ų | 73.5 | 13% | 0.126 | 38% | 0.378 | C | S | . | . | trans | -132.1 | 105.2 | 177.4 | -64.4 | 0 | 0 | 0 | 0 | 109.4 | K214 A215 D216 W252 | K214-S250 VanDerWaalsContact CA-OG 3.31Å; K214-S250 WeakPolarHBondContact CA-OG 3.34Å; A215-S250 PolarHBondContact N-OG 3.4Å; A215-S250 VanDerWaalsContact N-OG 3.16Å; D216-S250 WeakPolarHBondContact CB-OG 3.26Å; D216-S250 PolarHBondContact N-OG 2.85Å; D216-S250 VanDerWaalsContact N-OG 3.14Å; D216-S250 VanDerWaalsContact OD1-CB 3.24Å; D216-S250 WeakPolarHBondContact OD1-CB 3.48Å; D216-S250 PolarHBondContact OD1-OG 3.18Å; S250-W252 PolarHBondContact O-N 3.29Å | ||
| 251 | F | 94.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.009 | 38% | 0.376 | C | S | . | . | trans | -97.2 | 70.7 | -168.8 | -61.5 | -88.2 | 0 | 0 | 0 | 110.6 | F69 Y72 V211 N213 L272 F273 | F69-F251 HydrophobicContact CD2-CB 3.37Å; F69-F251 HydrophobicContact CD2-CD1 4.09Å; F69-F251 HydrophobicContact CD2-CD2 4.08Å; F69-F251 AromaticContact CD2-CG 3.58Å; F69-F251 HydrophobicContact CD2-CG 3.58Å; F69-F251 HydrophobicContact CE2-CB 3.82Å; F69-F251 AromaticContact CE2-CD1 3.58Å; F69-F251 HydrophobicContact CE2-CD1 3.58Å; F69-F251 AromaticContact CE2-CD2 3.99Å; F69-F251 HydrophobicContact CE2-CD2 3.99Å; F69-F251 HydrophobicContact CE2-CE1 4.13Å; F69-F251 AromaticContact CE2-CG 3.5Å; F69-F251 HydrophobicContact CE2-CG 3.5Å; F69-F251 HydrophobicContact CG-CB 4.43Å; Y72-F251 HydrophobicContact CD1-CB 4.17Å; Y72-F251 HydrophobicContact CE1-CD1 4.3Å; Y72-F251 HydrophobicContact CG-CB 4.48Å; V211-F251 HydrophobicContact CG1-CD2 3.7Å; V211-F251 HydrophobicContact CG1-CE2 3.35Å; V211-F251 HydrophobicContact CG1-CZ 4.18Å; N213-F251 PolarHBondContact OD1-N 3.19Å; F251-L272 HydrophobicContact CD1-CD2 4.5Å; F251-L272 HydrophobicContact CE1-CD2 3.68Å; F251-L272 HydrophobicContact CZ-CD2 3.77Å; F251-F273 HydrophobicContact CD1-CE1 4.24Å; F251-F273 HydrophobicContact CD1-CZ 4.08Å; F251-F273 HydrophobicContact CE1-CE1 4.14Å; F251-F273 HydrophobicContact CE1-CZ 4.1Å | ||
| 252 | W | 90.8 | Very high | 91.8 | Very high | 41 Ų | 41 | 72.7 Ų | 72.7 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -151.9 | 167.8 | 178.1 | 56.6 | 28.9 | 0 | 0 | 0 | 111.5 | T68 Y72 K214 D216 M217 S250 R254 | T68-W252 HydrophobicContact CG2-CB 3.9Å; Y72-W252 VanDerWaalsContact CD2-C 3.45Å; K214-W252 HydrophobicContact CB-CH2 4.1Å; K214-W252 HydrophobicContact CB-CZ3 4.48Å; K214-W252 HydrophobicContact CD-CH2 4Å; K214-W252 HydrophobicContact CD-CZ3 3.79Å; K214-W252 HydrophobicContact CG-CH2 3.82Å; K214-W252 HydrophobicContact CG-CZ3 3.71Å; D216-W252 VanDerWaalsContact OD1-CZ2 3.29Å; D216-W252 WeakPolarHBondContact OD1-CZ2 3.23Å; M217-W252 HydrophobicContact CG-CH2 4.03Å; M217-W252 HydrophobicContact CG-CZ2 4.33Å; M217-W252 HydrophobicContact SD-CH2 4.23Å; M217-W252 HydrophobicContact SD-CZ2 4.37Å; S250-W252 PolarHBondContact O-N 3.29Å; W252-R254 HydrophobicContact CG-CB 4.25Å; W252-R254 HydrophobicContact CG-CG 4.49Å; W252-R254 PolarHBondContact O-N 3.33Å |
| 253 | D | 86.1 | Confident | 92.2 | Very high | 106 Ų | 106 | 69.6 Ų | 69.6 | 57% | 0.567 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -88.6 | 23 | -177.3 | -45.6 | -44.9 | 0 | 0 | 0 | 113.2 | Y72 | Y72-D253 VanDerWaalsContact CD2-OD1 3.24Å; Y72-D253 WeakPolarHBondContact CD2-OD1 3.12Å |
| 254 | R | 89.7 | Confident | 92.7 | Very high | 183 Ų | 183 | 66.9 Ų | 66.9 | 69% | 0.691 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -103.7 | 149.7 | -176.4 | -62.4 | -177.5 | -178.7 | -174 | -0 | 111.2 | W252 | W252-R254 HydrophobicContact CG-CB 4.25Å; W252-R254 HydrophobicContact CG-CG 4.49Å; W252-R254 PolarHBondContact O-N 3.33Å |
| 255 | P | 90.3 | Very high | 93.1 | Very high | 121 Ų | 121 | 66.4 Ų | 66.4 | 79% | 0.786 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 142.8 | 171.3 | -23.4 | 33.4 | 0 | 0 | 0 | 111.8 | ||
| 256 | L | 92.6 | Very high | 93.1 | Very high | 45 Ų | 45 | 65.8 Ų | 65.8 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 133.7 | 175.2 | -60.6 | 176.2 | 0 | 0 | 0 | 109.9 | D216 D259 R262 F265 | D216-L256 HydrophobicContact CB-CB 4.16Å; D216-L256 HydrophobicContact CB-CD2 3.67Å; D216-L256 HydrophobicContact CB-CG 4.49Å; D216-L256 WeakPolarHBondContact OD2-CA 3.4Å; L256-D259 HydrophobicContact CB-CB 4.4Å; L256-R262 HydrophobicContact CD1-CB 3.87Å; L256-R262 HydrophobicContact CD1-CG 3.89Å; L256-F265 HydrophobicContact CD1-CD2 4.16Å; L256-F265 HydrophobicContact CD2-CD2 4.23Å |
| 257 | R | 92 | Very high | 93.1 | Very high | 148 Ų | 148 | 68.7 Ų | 68.7 | 56% | 0.558 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -74.3 | -51.7 | 175.5 | 178.6 | 179.7 | -176.6 | 179 | 0.9 | 111.8 | D216 M217 | D216-R257 WeakPolarHBondContact O-CB 3.41Å; D216-R257 PolarHBondContact OD2-N 3.42Å; M217-R257 HydrophobicContact SD-CB 4.3Å |
| 258 | Y | 91.4 | Very high | 93 | Very high | 103 Ų | 103 | 69.5 Ų | 69.5 | 40% | 0.404 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -107.8 | 116.2 | 167.4 | -66.7 | -76.9 | 0 | 0 | 0 | 108.8 | D216 | D216-Y258 WeakPolarHBondContact O-CB 3.44Å; D216-Y258 VanDerWaalsContact O-CD2 3.29Å; D216-Y258 WeakPolarHBondContact O-CD2 3.33Å; D216-Y258 PolarHBondContact O-N 2.92Å |
| 259 | D | 91.5 | Very high | 92.8 | Very high | 100 Ų | 100 | 69.4 Ų | 69.4 | 54% | 0.535 | 34% | 0.34 | S | S | . | . | trans | -100.1 | -0.9 | -175.2 | 66.6 | -11.9 | 0 | 0 | 0 | 113.8 | L256 N261 R262 | L256-D259 HydrophobicContact CB-CB 4.4Å; D259-N261 PolarHBondContact O-N 2.89Å; D259-N261 VanDerWaalsContact O-N 3.09Å; D259-R262 WeakPolarHBondContact O-CB 3.35Å; D259-R262 PolarHBondContact O-N 3.3Å | ||
| 260 | A | 93.2 | Very high | 92.6 | Very high | 81 Ų | 81 | 72.1 Ų | 72.1 | 67% | 0.669 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -31.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 261 | N | 92.8 | Very high | 92.6 | Very high | 36 Ų | 36 | 74.8 Ų | 74.8 | 19% | 0.193 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 18.6 | 178.3 | -56.1 | -48.2 | 0 | 0 | 0 | 112.9 | S220 D259 H263 L264 F265 | S220-N261 PolarHBondContact OG-ND2 3.37Å; S220-N261 PolarHBondContact OG-OD1 3.42Å; S220-N261 VanDerWaalsContact OG-OD1 3.08Å; D259-N261 PolarHBondContact O-N 2.89Å; D259-N261 VanDerWaalsContact O-N 3.09Å; N261-H263 VanDerWaalsContact C-N 3.3Å; N261-H263 PolarHBondContact O-N 3.46Å; N261-L264 HydrophobicContact CB-CB 4.45Å; N261-L264 WeakPolarHBondContact O-CB 3.45Å; N261-L264 PolarHBondContact O-N 3.33Å; N261-F265 HydrophobicContact CB-CD1 4.39Å; N261-F265 HydrophobicContact CB-CE1 3.81Å; N261-F265 HydrophobicContact CB-CE2 4.06Å; N261-F265 HydrophobicContact CB-CZ 3.65Å; N261-F265 WeakPolarHBondContact O-CG 3.31Å; N261-F265 PolarHBondContact O-N 3.07Å |
| 262 | R | 93.2 | Very high | 92.6 | Very high | 121 Ų | 121 | 74.7 Ų | 74.7 | 46% | 0.457 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -49.7 | -48.8 | -177.5 | 174.4 | -179.1 | -127.3 | 135.4 | 1.2 | 112.7 | L256 D259 L264 F265 E266 | L256-R262 HydrophobicContact CD1-CB 3.87Å; L256-R262 HydrophobicContact CD1-CG 3.89Å; D259-R262 WeakPolarHBondContact O-CB 3.35Å; D259-R262 PolarHBondContact O-N 3.3Å; R262-L264 VanDerWaalsContact C-N 3.3Å; R262-L264 PolarHBondContact O-N 2.94Å; R262-F265 PolarHBondContact O-N 3.49Å; R262-F265 VanDerWaalsContact O-N 3.11Å; R262-E266 WeakPolarHBondContact CD-OE1 3.27Å; R262-E266 HydrophobicContact CG-CG 4.36Å; R262-E266 WeakPolarHBondContact CG-OE1 3.27Å; R262-E266 IonicContact NE-OE1 2.97Å; R262-E266 PolarHBondContact NE-OE1 3.3Å; R262-E266 WeakPolarHBondContact O-CG 3.45Å; R262-E266 PolarHBondContact O-N 3.47Å |
| 263 | H | 93.9 | Very high | 92.7 | Very high | 86 Ų | 86 | 73 Ų | 73 | 40% | 0.398 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | -179.1 | -176.4 | 56 | 0 | 0 | 0 | 112.2 | N261 E266 L267 | N261-H263 VanDerWaalsContact C-N 3.3Å; N261-H263 PolarHBondContact O-N 3.46Å; H263-E266 PolarHBondContact O-N 2.81Å; H263-L267 WeakPolarHBondContact NE2-CD1 3.35Å; H263-L267 WeakPolarHBondContact O-CG 3.45Å; H263-L267 PolarHBondContact O-N 3.22Å |
| 264 | L | 94.5 | Very high | 93 | Very high | 66 Ų | 66 | 75.1 Ų | 75.1 | 35% | 0.346 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.6 | -47.8 | 174.1 | 175 | 66.6 | 0 | 0 | 0 | 110.9 | N261 R262 E266 L267 E268 | N261-L264 HydrophobicContact CB-CB 4.45Å; N261-L264 WeakPolarHBondContact O-CB 3.45Å; N261-L264 PolarHBondContact O-N 3.33Å; R262-L264 VanDerWaalsContact C-N 3.3Å; R262-L264 PolarHBondContact O-N 2.94Å; L264-E266 VanDerWaalsContact C-N 3.31Å; L264-E266 PolarHBondContact O-N 3.29Å; L264-L267 PolarHBondContact O-N 3.47Å; L264-E268 HydrophobicContact CD1-CG 3.9Å; L264-E268 HydrophobicContact CG-CG 4.27Å; L264-E268 WeakPolarHBondContact O-CB 3.28Å; L264-E268 WeakPolarHBondContact O-CG 3.37Å; L264-E268 PolarHBondContact O-N 3.21Å |
| 265 | F | 94.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 67.9 Ų | 67.9 | 4% | 0.044 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | -179.3 | -57 | -26 | 0 | 0 | 0 | 112.3 | A215 D216 L223 I248 L256 N261 R262 S269 | A215-F265 HydrophobicContact CB-CD1 4.26Å; A215-F265 HydrophobicContact CB-CE1 3.51Å; A215-F265 HydrophobicContact CB-CZ 3.73Å; D216-F265 HydrophobicContact CB-CE2 3.92Å; L223-F265 HydrophobicContact CD2-CE1 3.93Å; L223-F265 HydrophobicContact CD2-CZ 4.25Å; I248-F265 HydrophobicContact CG2-CD1 4.21Å; I248-F265 HydrophobicContact CG2-CE1 3.94Å; L256-F265 HydrophobicContact CD1-CD2 4.16Å; L256-F265 HydrophobicContact CD2-CD2 4.23Å; N261-F265 HydrophobicContact CB-CD1 4.39Å; N261-F265 HydrophobicContact CB-CE1 3.81Å; N261-F265 HydrophobicContact CB-CE2 4.06Å; N261-F265 HydrophobicContact CB-CZ 3.65Å; N261-F265 WeakPolarHBondContact O-CG 3.31Å; N261-F265 PolarHBondContact O-N 3.07Å; R262-F265 PolarHBondContact O-N 3.49Å; R262-F265 VanDerWaalsContact O-N 3.11Å; F265-S269 WeakPolarHBondContact O-CB 3.42Å; F265-S269 PolarHBondContact O-N 3.26Å |
| 266 | E | 92.5 | Very high | 93.2 | Very high | 87 Ų | 87 | 62.2 Ų | 62.2 | 41% | 0.407 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.4 | -46.3 | 177.5 | -72.5 | 169 | -176.9 | 0 | 0 | 111.6 | R262 H263 L264 S269 Q270 | R262-E266 WeakPolarHBondContact CD-OE1 3.27Å; R262-E266 HydrophobicContact CG-CG 4.36Å; R262-E266 WeakPolarHBondContact CG-OE1 3.27Å; R262-E266 IonicContact NE-OE1 2.97Å; R262-E266 PolarHBondContact NE-OE1 3.3Å; R262-E266 WeakPolarHBondContact O-CG 3.45Å; R262-E266 PolarHBondContact O-N 3.47Å; H263-E266 PolarHBondContact O-N 2.81Å; L264-E266 VanDerWaalsContact C-N 3.31Å; L264-E266 PolarHBondContact O-N 3.29Å; E266-S269 WeakPolarHBondContact O-CB 2.91Å; E266-S269 PolarHBondContact O-N 2.98Å; E266-Q270 VanDerWaalsContact O-CG 3.3Å; E266-Q270 WeakPolarHBondContact O-CG 3.45Å; E266-Q270 PolarHBondContact O-N 3.12Å |
| 267 | L | 93.9 | Very high | 93.1 | Very high | 63 Ų | 63 | 62.1 Ų | 62.1 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 176.7 | -72.3 | 176.5 | 0 | 0 | 0 | 112.3 | H263 L264 S269 Q270 D271 | H263-L267 WeakPolarHBondContact NE2-CD1 3.35Å; H263-L267 WeakPolarHBondContact O-CG 3.45Å; H263-L267 PolarHBondContact O-N 3.22Å; L264-L267 PolarHBondContact O-N 3.47Å; L267-S269 VanDerWaalsContact C-N 3.3Å; L267-S269 PolarHBondContact O-N 3.19Å; L267-Q270 WeakPolarHBondContact O-CB 3.31Å; L267-Q270 PolarHBondContact O-N 3.46Å; L267-D271 PolarHBondContact O-N 3.09Å |
| 268 | E | 95.7 | Very high | 92.9 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.7 | -37 | 177.9 | -70.9 | -67.4 | 145.7 | 0 | 0 | 112 | R245 F247 I248 L264 D271 L272 | R245-E268 IonicContact CZ-OE1 2.99Å; R245-E268 VanDerWaalsContact CZ-OE1 3.32Å; R245-E268 IonicContact CZ-OE2 3.83Å; R245-E268 IonicContact NH1-OE1 3.3Å; R245-E268 PolarHBondContact NH1-OE1 2.81Å; R245-E268 IonicContact NH1-OE2 3.37Å; R245-E268 PolarHBondContact NH1-OE2 3.41Å; R245-E268 IonicContact NH2-OE1 3.72Å; R245-E268 PolarHBondContact NH2-OE1 3.42Å; R245-E268 IonicContact NH2-OE2 3.81Å; R245-E268 PolarHBondContact NH2-OE2 3.06Å; F247-E268 WeakPolarHBondContact CA-OE2 3.44Å; F247-E268 WeakPolarHBondContact CD1-O 3.36Å; I248-E268 HydrophobicContact CB-CG 4.45Å; I248-E268 VanDerWaalsContact O-CB 3.24Å; I248-E268 WeakPolarHBondContact O-CB 3.46Å; L264-E268 HydrophobicContact CD1-CG 3.9Å; L264-E268 HydrophobicContact CG-CG 4.27Å; L264-E268 WeakPolarHBondContact O-CB 3.28Å; L264-E268 WeakPolarHBondContact O-CG 3.37Å; L264-E268 PolarHBondContact O-N 3.21Å; E268-D271 PolarHBondContact O-N 2.84Å; E268-L272 PolarHBondContact O-N 3.29Å |
| 269 | S | 93.9 | Very high | 92.9 | Very high | 16 Ų | 16 | 51.7 Ų | 51.7 | 11% | 0.112 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | 174 | -169.1 | 0 | 0 | 0 | 0 | 111.8 | F265 E266 L267 L272 F273 | F265-S269 WeakPolarHBondContact O-CB 3.42Å; F265-S269 PolarHBondContact O-N 3.26Å; E266-S269 WeakPolarHBondContact O-CB 2.91Å; E266-S269 PolarHBondContact O-N 2.98Å; L267-S269 VanDerWaalsContact C-N 3.3Å; L267-S269 PolarHBondContact O-N 3.19Å; S269-L272 PolarHBondContact O-N 2.89Å; S269-F273 WeakPolarHBondContact O-CD2 3.29Å; S269-F273 WeakPolarHBondContact O-CG 3.21Å; S269-F273 PolarHBondContact O-N 3.48Å; S269-F273 WeakPolarHBondContact OG-CE2 3.37Å; S269-F273 WeakPolarHBondContact OG-CZ 3.47Å |
| 270 | Q | 91.9 | Very high | 92.7 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 176 | -71.9 | 172.9 | 16.8 | 0 | 0 | 111.7 | E266 L267 L272 F273 K274 | E266-Q270 VanDerWaalsContact O-CG 3.3Å; E266-Q270 WeakPolarHBondContact O-CG 3.45Å; E266-Q270 PolarHBondContact O-N 3.12Å; L267-Q270 WeakPolarHBondContact O-CB 3.31Å; L267-Q270 PolarHBondContact O-N 3.46Å; Q270-L272 PolarHBondContact O-N 3.45Å; Q270-F273 PolarHBondContact O-N 3Å; Q270-K274 VanDerWaalsContact O-CB 3.31Å; Q270-K274 WeakPolarHBondContact O-CB 3.13Å; Q270-K274 PolarHBondContact O-N 2.9Å |
| 271 | D | 94.4 | Very high | 92.2 | Very high | 75 Ų | 75 | 45.5 Ų | 45.5 | 40% | 0.401 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.7 | -45.7 | 176.3 | -84.1 | -9.1 | 0 | 0 | 0 | 111.6 | R245 F247 L267 E268 K274 D275 | R245-D271 IonicContact NH2-OD2 2.67Å; R245-D271 PolarHBondContact NH2-OD2 2.98Å; F247-D271 HydrophobicContact CD1-CB 4.25Å; F247-D271 HydrophobicContact CE1-CB 3.83Å; L267-D271 PolarHBondContact O-N 3.09Å; E268-D271 PolarHBondContact O-N 2.84Å; D271-K274 PolarHBondContact O-N 3.42Å; D271-D275 WeakPolarHBondContact O-CB 3.4Å; D271-D275 PolarHBondContact O-N 3.01Å |
| 272 | L | 95.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -45.2 | 176.5 | 177.2 | 58.6 | 0 | 0 | 0 | 111.4 | F69 V211 F247 F251 E268 S269 Q270 D275 L276 | F69-L272 HydrophobicContact CE2-CD2 3.98Å; F69-L272 HydrophobicContact CZ-CD2 3.84Å; V211-L272 HydrophobicContact CG2-CD2 3.85Å; F247-L272 HydrophobicContact CB-CB 4.4Å; F247-L272 HydrophobicContact CB-CD2 4.46Å; F247-L272 HydrophobicContact CD1-CB 3.83Å; F247-L272 HydrophobicContact CD2-CB 4.18Å; F247-L272 HydrophobicContact CD2-CD1 3.71Å; F247-L272 HydrophobicContact CD2-CD2 4.5Å; F247-L272 HydrophobicContact CD2-CG 4.34Å; F247-L272 HydrophobicContact CE1-CB 4.07Å; F247-L272 HydrophobicContact CE2-CB 4.36Å; F247-L272 HydrophobicContact CE2-CD1 3.64Å; F247-L272 HydrophobicContact CG-CB 3.88Å; F247-L272 HydrophobicContact CG-CD1 4.29Å; F247-L272 HydrophobicContact CG-CG 4.44Å; F247-L272 HydrophobicContact CZ-CB 4.32Å; F247-L272 HydrophobicContact CZ-CD1 4.21Å; F251-L272 HydrophobicContact CD1-CD2 4.5Å; F251-L272 HydrophobicContact CE1-CD2 3.68Å; F251-L272 HydrophobicContact CZ-CD2 3.77Å; E268-L272 PolarHBondContact O-N 3.29Å; S269-L272 PolarHBondContact O-N 2.89Å; Q270-L272 PolarHBondContact O-N 3.45Å; L272-D275 PolarHBondContact O-N 3.3Å; L272-L276 HydrophobicContact CD1-CD1 4.18Å; L272-L276 HydrophobicContact CD1-CG 4.2Å; L272-L276 HydrophobicContact CG-CD1 4.25Å; L272-L276 WeakPolarHBondContact O-CG 3.26Å; L272-L276 PolarHBondContact O-N 3.47Å |
| 273 | F | 94 | Very high | 91.4 | Very high | 5 Ų | 5 | 41.5 Ų | 41.5 | 2% | 0.022 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.1 | -35.4 | -179.6 | -60.3 | -17.8 | 0 | 0 | 0 | 112.1 | Y72 L73 F251 S269 Q270 L276 R277 A410 F411 | Y72-F273 HydrophobicContact CD1-CZ 4.4Å; Y72-F273 HydrophobicContact CE1-CE1 4.38Å; Y72-F273 HydrophobicContact CE1-CE2 4.12Å; Y72-F273 AromaticContact CE1-CZ 3.51Å; Y72-F273 HydrophobicContact CE1-CZ 3.51Å; L73-F273 HydrophobicContact CD2-CD1 3.99Å; L73-F273 HydrophobicContact CD2-CE1 3.62Å; L73-F273 HydrophobicContact CD2-CZ 4.42Å; F251-F273 HydrophobicContact CD1-CE1 4.24Å; F251-F273 HydrophobicContact CD1-CZ 4.08Å; F251-F273 HydrophobicContact CE1-CE1 4.14Å; F251-F273 HydrophobicContact CE1-CZ 4.1Å; S269-F273 WeakPolarHBondContact O-CD2 3.29Å; S269-F273 WeakPolarHBondContact O-CG 3.21Å; S269-F273 PolarHBondContact O-N 3.48Å; S269-F273 WeakPolarHBondContact OG-CE2 3.37Å; S269-F273 WeakPolarHBondContact OG-CZ 3.47Å; Q270-F273 PolarHBondContact O-N 3Å; F273-L276 PolarHBondContact O-N 2.82Å; F273-R277 WeakPolarHBondContact O-CB 3.32Å; F273-R277 PolarHBondContact O-N 3.11Å; F273-A410 HydrophobicContact CE2-CB 4.11Å; F273-A410 HydrophobicContact CZ-CB 4.35Å; F273-F411 HydrophobicContact CB-CD1 3.96Å; F273-F411 HydrophobicContact CB-CE1 4.05Å; F273-F411 HydrophobicContact CD1-CE1 4.31Å; F273-F411 HydrophobicContact CG-CD1 4.42Å; F273-F411 HydrophobicContact CG-CE1 4.35Å |
| 274 | K | 91.2 | Very high | 91.1 | Very high | 151 Ų | 151 | 38.1 Ų | 38.1 | 66% | 0.657 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -61.8 | -44.7 | 172.4 | -176.8 | 179.2 | 178.2 | -179.3 | 0 | 111.4 | Q270 D271 R277 S278 | Q270-K274 VanDerWaalsContact O-CB 3.31Å; Q270-K274 WeakPolarHBondContact O-CB 3.13Å; Q270-K274 PolarHBondContact O-N 2.9Å; D271-K274 PolarHBondContact O-N 3.42Å; K274-R277 PolarHBondContact O-N 3.15Å; K274-S278 PolarHBondContact O-N 2.89Å |
| 275 | D | 92.4 | Very high | 90.7 | Very high | 31 Ų | 31 | 37.7 Ų | 37.7 | 17% | 0.166 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -50.7 | 175.2 | 173.4 | 89.2 | 0 | 0 | 0 | 110.6 | R178 R209 D271 L272 S278 | R178-D275 VanDerWaalsContact CZ-CG 3.43Å; R178-D275 IonicContact CZ-OD1 3.32Å; R178-D275 VanDerWaalsContact CZ-OD1 3.24Å; R178-D275 IonicContact CZ-OD2 2.63Å; R178-D275 IonicContact NE-OD1 3.04Å; R178-D275 IonicContact NE-OD2 3.14Å; R178-D275 PolarHBondContact NE-OD2 3.15Å; R178-D275 IonicContact NH1-OD1 2.76Å; R178-D275 PolarHBondContact NH2-O 3.32Å; R178-D275 IonicContact NH2-OD1 3.15Å; R178-D275 PolarHBondContact NH2-OD1 3.43Å; R178-D275 IonicContact NH2-OD2 2.76Å; R178-D275 PolarHBondContact NH2-OD2 2.84Å; R209-D275 IonicContact CZ-OD1 2.75Å; R209-D275 IonicContact NE-OD1 2.92Å; R209-D275 PolarHBondContact NE-OD1 2.97Å; R209-D275 VanDerWaalsContact NE-OD1 3.1Å; R209-D275 IonicContact NE-OD2 3.43Å; R209-D275 IonicContact NH2-OD1 2.93Å; R209-D275 PolarHBondContact NH2-OD1 3.34Å; D271-D275 WeakPolarHBondContact O-CB 3.4Å; D271-D275 PolarHBondContact O-N 3.01Å; L272-D275 PolarHBondContact O-N 3.3Å; D275-S278 PolarHBondContact O-N 3.45Å; D275-S278 PolarHBondContact O-OG 3.45Å |
| 276 | L | 93.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.4 | -40.5 | 178.5 | -67.2 | 178.5 | 0 | 0 | 0 | 113.1 | V56 L73 R178 I180 L272 F273 S278 L279 I406 F411 | V56-L276 HydrophobicContact CG1-CD2 4.35Å; V56-L276 HydrophobicContact CG2-CD2 4.22Å; L73-L276 HydrophobicContact CD1-CD1 4.33Å; R178-L276 HydrophobicContact CB-CD2 4.46Å; R178-L276 HydrophobicContact CG-CD2 4.15Å; I180-L276 HydrophobicContact CD1-CD1 4.16Å; I180-L276 HydrophobicContact CD1-CD2 4.16Å; L272-L276 HydrophobicContact CD1-CD1 4.18Å; L272-L276 HydrophobicContact CD1-CG 4.2Å; L272-L276 HydrophobicContact CG-CD1 4.25Å; L272-L276 WeakPolarHBondContact O-CG 3.26Å; L272-L276 PolarHBondContact O-N 3.47Å; F273-L276 PolarHBondContact O-N 2.82Å; L276-S278 PolarHBondContact O-N 3.17Å; L276-S278 VanDerWaalsContact O-N 3.16Å; L276-L279 HydrophobicContact CD2-CD1 3.94Å; L276-L279 WeakPolarHBondContact O-CB 3.33Å; L276-L279 VanDerWaalsContact O-CG 3.26Å; L276-L279 WeakPolarHBondContact O-CG 3.45Å; L276-L279 PolarHBondContact O-N 3.01Å; L276-I406 WeakPolarHBondContact O-CD1 3.37Å; L276-F411 HydrophobicContact CB-CE1 3.86Å; L276-F411 HydrophobicContact CB-CZ 4.21Å; L276-F411 HydrophobicContact CD1-CZ 4.34Å |
| 277 | R | 90.1 | Very high | 90.1 | Very high | 43 Ų | 43 | 36.8 Ų | 36.8 | 16% | 0.162 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.3 | -27.3 | -179.6 | -166 | -169.7 | -66.9 | 157 | 0 | 112.4 | F273 K274 L279 P280 F405 I406 F411 S414 | F273-R277 WeakPolarHBondContact O-CB 3.32Å; F273-R277 PolarHBondContact O-N 3.11Å; K274-R277 PolarHBondContact O-N 3.15Å; R277-L279 VanDerWaalsContact C-N 3.33Å; R277-P280 WeakPolarHBondContact O-CD 3.5Å; R277-F405 HydrophobicContact CG-CB 3.75Å; R277-F405 HydrophobicContact CG-CD1 3.97Å; R277-F405 HydrophobicContact CG-CG 4.26Å; R277-I406 HydrophobicContact CG-CB 4.19Å; R277-F411 HydrophobicContact CB-CD1 4.29Å; R277-F411 PolarHBondContact NH2-O 3.13Å; R277-S414 PolarHBondContact NH2-OG 2.78Å |
| 278 | S | 87.3 | Confident | 89.9 | Confident | 32 Ų | 32 | 33.8 Ų | 33.8 | 22% | 0.224 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -4.3 | 177.7 | 77.2 | 0 | 0 | 0 | 0 | 114.9 | K274 D275 L276 S281 N282 | K274-S278 PolarHBondContact O-N 2.89Å; D275-S278 PolarHBondContact O-N 3.45Å; D275-S278 PolarHBondContact O-OG 3.45Å; L276-S278 PolarHBondContact O-N 3.17Å; L276-S278 VanDerWaalsContact O-N 3.16Å; S278-S281 PolarHBondContact O-OG 2.78Å; S278-N282 PolarHBondContact O-N 3.17Å; S278-N282 PolarHBondContact O-ND2 2.82Å |
| 279 | L | 90.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.1 | -44.5 | -176.5 | -71.4 | 173.2 | 0 | 0 | 0 | 113.9 | P54 V56 I143 D177 R178 L276 R277 N282 A283 | P54-L279 HydrophobicContact CB-CB 3.96Å; P54-L279 HydrophobicContact CG-CB 4.36Å; V56-L279 HydrophobicContact CG2-CD1 3.49Å; V56-L279 VanDerWaalsContact CG2-CD1 3.49Å; I143-L279 HydrophobicContact CG2-CB 4.4Å; D177-L279 HydrophobicContact CB-CD2 3.99Å; R178-L279 HydrophobicContact CB-CD1 4.17Å; R178-L279 HydrophobicContact CB-CD2 4.36Å; L276-L279 HydrophobicContact CD2-CD1 3.94Å; L276-L279 WeakPolarHBondContact O-CB 3.33Å; L276-L279 VanDerWaalsContact O-CG 3.26Å; L276-L279 WeakPolarHBondContact O-CG 3.45Å; L276-L279 PolarHBondContact O-N 3.01Å; R277-L279 VanDerWaalsContact C-N 3.33Å; L279-N282 PolarHBondContact O-N 2.79Å; L279-A283 PolarHBondContact O-N 3.31Å |
| 280 | P | 87.6 | Confident | 89.3 | Confident | 25 Ų | 25 | 38.3 Ų | 38.3 | 16% | 0.162 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | -179.7 | -22.8 | 34.8 | 0 | 0 | 0 | 113.1 | I143 R277 N282 A283 I406 | I143-P280 HydrophobicContact CG2-CG 4.24Å; R277-P280 WeakPolarHBondContact O-CD 3.5Å; P280-N282 PolarHBondContact O-N 2.79Å; P280-A283 VanDerWaalsContact O-CB 3.28Å; P280-A283 WeakPolarHBondContact O-CB 3.35Å; P280-A283 PolarHBondContact O-N 3.06Å; P280-I406 HydrophobicContact CG-CG1 4.03Å |
| 281 | S | 82.4 | Confident | 89.3 | Confident | 26 Ų | 26 | 35.9 Ų | 35.9 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.1 | -28.6 | 179 | 60.7 | 0 | 0 | 0 | 0 | 112.9 | S278 Q395 S404 | S278-S281 PolarHBondContact O-OG 2.78Å; S281-Q395 PolarHBondContact O-NE2 2.93Å; S281-S404 PolarHBondContact N-O 2.75Å |
| 282 | N | 84.2 | Confident | 89.2 | Confident | 61 Ų | 61 | 33.7 Ų | 33.7 | 33% | 0.326 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -91.7 | -4.8 | -179.7 | -69 | -45.1 | 0 | 0 | 0 | 114.2 | S278 L279 P280 A284 M285 R286 | S278-N282 PolarHBondContact O-N 3.17Å; S278-N282 PolarHBondContact O-ND2 2.82Å; L279-N282 PolarHBondContact O-N 2.79Å; P280-N282 PolarHBondContact O-N 2.79Å; N282-A284 PolarHBondContact O-N 3.07Å; N282-M285 PolarHBondContact O-N 2.99Å; N282-R286 PolarHBondContact O-N 2.92Å; N282-R286 VanDerWaalsContact O-N 3.13Å |
| 283 | A | 86 | Confident | 89 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 11% | 0.107 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.1 | -44.6 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P54 L279 P280 R286 K287 | P54-A283 HydrophobicContact CG-CB 3.76Å; L279-A283 PolarHBondContact O-N 3.31Å; P280-A283 VanDerWaalsContact O-CB 3.28Å; P280-A283 WeakPolarHBondContact O-CB 3.35Å; P280-A283 PolarHBondContact O-N 3.06Å; A283-R286 PolarHBondContact O-N 3.04Å; A283-K287 WeakPolarHBondContact O-CG 3.23Å; A283-K287 PolarHBondContact O-N 3.4Å |
| 284 | A | 86.5 | Confident | 89 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 12% | 0.116 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -46.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V16 N282 R286 K287 L288 I391 | V16-A284 HydrophobicContact CB-CB 4.42Å; V16-A284 HydrophobicContact CG1-CB 4.09Å; N282-A284 PolarHBondContact O-N 3.07Å; A284-R286 VanDerWaalsContact C-N 3.28Å; A284-R286 PolarHBondContact O-N 2.76Å; A284-K287 PolarHBondContact O-N 2.88Å; A284-L288 WeakPolarHBondContact O-CB 3.45Å; A284-L288 PolarHBondContact O-N 3.18Å; A284-I391 HydrophobicContact CB-CD1 4.39Å; A284-I391 HydrophobicContact CB-CG1 4.28Å |
| 285 | M | 87.3 | Confident | 89.2 | Confident | 58 Ų | 58 | 35 Ų | 35 | 29% | 0.286 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.1 | -42.1 | 175.2 | -77.1 | -57.6 | -57.1 | 0 | 0 | 111.8 | N282 L288 N289 M388 I391 | N282-M285 PolarHBondContact O-N 2.99Å; M285-L288 PolarHBondContact O-N 2.77Å; M285-N289 VanDerWaalsContact O-CG 3.32Å; M285-N289 PolarHBondContact O-N 2.99Å; M285-N289 PolarHBondContact O-ND2 2.99Å; M285-M388 HydrophobicContact CE-CE 4.49Å; M285-I391 HydrophobicContact CG-CD1 4.05Å; M285-I391 HydrophobicContact CG-CG2 3.84Å; M285-I391 HydrophobicContact SD-CB 4.22Å; M285-I391 HydrophobicContact SD-CD1 3.24Å; M285-I391 WeakPolarHBondContact SD-CD1 3.44Å; M285-I391 HydrophobicContact SD-CG1 4.28Å; M285-I391 HydrophobicContact SD-CG2 3.84Å |
| 286 | R | 84.9 | Confident | 89.4 | Confident | 45 Ų | 45 | 39.3 Ų | 39.3 | 17% | 0.17 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -50.4 | -179.2 | -170.8 | -177.4 | -63.7 | 94 | 6.3 | 111.7 | D177 N282 A283 A284 L288 N289 D290 | D177-R286 WeakPolarHBondContact OD1-CD 3.38Å; D177-R286 IonicContact OD1-CZ 3.66Å; D177-R286 IonicContact OD1-NE 3.57Å; D177-R286 PolarHBondContact OD1-NE 3.05Å; D177-R286 IonicContact OD1-NH1 2.87Å; D177-R286 PolarHBondContact OD1-NH1 3.48Å; N282-R286 PolarHBondContact O-N 2.92Å; N282-R286 VanDerWaalsContact O-N 3.13Å; A283-R286 PolarHBondContact O-N 3.04Å; A284-R286 VanDerWaalsContact C-N 3.28Å; A284-R286 PolarHBondContact O-N 2.76Å; R286-L288 PolarHBondContact O-N 3.38Å; R286-N289 WeakPolarHBondContact O-CA 3.49Å; R286-N289 WeakPolarHBondContact O-CB 3.16Å; R286-N289 PolarHBondContact O-N 3.42Å; R286-D290 PolarHBondContact O-N 2.97Å |
| 287 | K | 88.5 | Confident | 89.5 | Confident | 33 Ų | 33 | 41.4 Ų | 41.4 | 14% | 0.143 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.2 | -38 | 175.9 | -70.8 | 177.7 | -174.6 | -114.5 | 0 | 111.9 | L20 E49 F50 S52 A283 A284 D290 M291 | L20-K287 HydrophobicContact CD1-CB 3.89Å; E49-K287 PolarHBondContact O-NZ 2.67Å; F50-K287 PolarHBondContact O-NZ 3.27Å; S52-K287 VanDerWaalsContact O-CE 3.32Å; S52-K287 WeakPolarHBondContact O-CE 3.39Å; S52-K287 PolarHBondContact O-NZ 2.91Å; S52-K287 PolarHBondContact OG-NZ 3Å; A283-K287 WeakPolarHBondContact O-CG 3.23Å; A283-K287 PolarHBondContact O-N 3.4Å; A284-K287 PolarHBondContact O-N 2.88Å; K287-D290 PolarHBondContact O-N 3.47Å; K287-M291 WeakPolarHBondContact O-CB 3.28Å; K287-M291 PolarHBondContact O-N 3.4Å |
| 288 | L | 91.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.8 | -46.3 | 174.2 | -175.3 | 148.7 | 0 | 0 | 0 | 111.6 | L20 A284 M285 R286 D290 M291 I292 I384 L387 M388 I391 | L20-L288 HydrophobicContact CD1-CB 4.25Å; L20-L288 HydrophobicContact CD2-CB 4.25Å; L20-L288 HydrophobicContact CD2-CG 4.32Å; A284-L288 WeakPolarHBondContact O-CB 3.45Å; A284-L288 PolarHBondContact O-N 3.18Å; M285-L288 PolarHBondContact O-N 2.77Å; R286-L288 PolarHBondContact O-N 3.38Å; L288-D290 VanDerWaalsContact C-N 3.35Å; L288-D290 PolarHBondContact O-N 2.77Å; L288-M291 WeakPolarHBondContact O-CB 3.17Å; L288-M291 PolarHBondContact O-N 3.39Å; L288-I292 HydrophobicContact CD2-CD1 3.56Å; L288-I292 HydrophobicContact CD2-CG1 4.37Å; L288-I292 WeakPolarHBondContact O-CG1 3.32Å; L288-I292 PolarHBondContact O-N 3.31Å; L288-I384 HydrophobicContact CD1-CG2 4.25Å; L288-I384 HydrophobicContact CD2-CG2 3.97Å; L288-I384 HydrophobicContact CG-CG2 4.18Å; L288-L387 HydrophobicContact CD1-CB 4.19Å; L288-M388 HydrophobicContact CD1-CG 3.55Å; L288-M388 HydrophobicContact CD2-CG 3.87Å; L288-M388 HydrophobicContact CD2-SD 4.19Å; L288-M388 HydrophobicContact CG-CG 4.39Å; L288-I391 HydrophobicContact CD1-CD1 4Å |
| 289 | N | 89.1 | Confident | 90.2 | Very high | 71 Ų | 71 | 39.6 Ų | 39.6 | 38% | 0.38 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.1 | -73.7 | -23.3 | 0 | 0 | 0 | 112.5 | M285 R286 M291 I292 R293 | M285-N289 VanDerWaalsContact O-CG 3.32Å; M285-N289 PolarHBondContact O-N 2.99Å; M285-N289 PolarHBondContact O-ND2 2.99Å; R286-N289 WeakPolarHBondContact O-CA 3.49Å; R286-N289 WeakPolarHBondContact O-CB 3.16Å; R286-N289 PolarHBondContact O-N 3.42Å; N289-M291 VanDerWaalsContact C-N 3.35Å; N289-I292 PolarHBondContact O-N 2.84Å; N289-R293 WeakPolarHBondContact O-CG 3.42Å; N289-R293 PolarHBondContact O-N 3.16Å |
| 290 | D | 86.8 | Confident | 90.5 | Very high | 61 Ų | 61 | 39.7 Ų | 39.7 | 33% | 0.326 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.3 | -39.8 | 177.6 | -66.6 | -27.6 | 0 | 0 | 0 | 111.3 | R286 K287 L288 I292 R293 R294 | R286-D290 PolarHBondContact O-N 2.97Å; K287-D290 PolarHBondContact O-N 3.47Å; L288-D290 VanDerWaalsContact C-N 3.35Å; L288-D290 PolarHBondContact O-N 2.77Å; D290-I292 PolarHBondContact O-N 2.94Å; D290-R293 PolarHBondContact O-N 2.73Å; D290-R294 WeakPolarHBondContact O-CB 3.37Å; D290-R294 PolarHBondContact O-N 3.37Å |
| 291 | M | 91.3 | Very high | 91 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 4% | 0.044 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.8 | -43.8 | 172.6 | -172.6 | 63.8 | 67.9 | 0 | 0 | 111.9 | L20 Y24 L28 L45 F50 K287 L288 N289 R294 A295 | L20-M291 HydrophobicContact CD2-CB 4.3Å; L20-M291 HydrophobicContact CD2-CG 4.35Å; Y24-M291 HydrophobicContact CD2-CE 4.23Å; Y24-M291 HydrophobicContact CD2-SD 4.07Å; Y24-M291 HydrophobicContact CG-CE 4.3Å; L28-M291 HydrophobicContact CD2-SD 3.72Å; L45-M291 HydrophobicContact CD1-CE 4.05Å; F50-M291 HydrophobicContact CE1-CE 3.42Å; F50-M291 VanDerWaalsContact CE1-CE 3.42Å; F50-M291 HydrophobicContact CZ-CE 3.84Å; K287-M291 WeakPolarHBondContact O-CB 3.28Å; K287-M291 PolarHBondContact O-N 3.4Å; L288-M291 WeakPolarHBondContact O-CB 3.17Å; L288-M291 PolarHBondContact O-N 3.39Å; N289-M291 VanDerWaalsContact C-N 3.35Å; M291-R294 PolarHBondContact O-N 2.84Å; M291-A295 VanDerWaalsContact O-CB 3.23Å; M291-A295 WeakPolarHBondContact O-CB 3.32Å; M291-A295 PolarHBondContact O-N 3.02Å |
| 292 | I | 93.4 | Very high | 91.7 | Very high | 28 Ų | 28 | 37.3 Ų | 37.3 | 14% | 0.144 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.4 | -48.5 | 176.8 | -67.5 | 169 | 0 | 0 | 0 | 110.5 | L288 N289 D290 R294 A295 R296 L380 I384 | L288-I292 HydrophobicContact CD2-CD1 3.56Å; L288-I292 HydrophobicContact CD2-CG1 4.37Å; L288-I292 WeakPolarHBondContact O-CG1 3.32Å; L288-I292 PolarHBondContact O-N 3.31Å; N289-I292 PolarHBondContact O-N 2.84Å; D290-I292 PolarHBondContact O-N 2.94Å; I292-R294 PolarHBondContact O-N 3.3Å; I292-A295 PolarHBondContact O-N 3.04Å; I292-R296 WeakPolarHBondContact O-CG 3.43Å; I292-R296 PolarHBondContact O-N 3.25Å; I292-L380 HydrophobicContact CB-CD2 4.37Å; I292-L380 HydrophobicContact CG1-CD2 4.22Å; I292-L380 HydrophobicContact CG2-CD2 4.12Å; I292-I384 HydrophobicContact CD1-CD1 4.47Å; I292-I384 HydrophobicContact CD1-CG2 3.93Å; I292-I384 HydrophobicContact CG1-CD1 3.62Å; I292-I384 HydrophobicContact CG1-CG2 4.19Å |
| 293 | R | 91.3 | Very high | 92.4 | Very high | 150 Ų | 150 | 35.7 Ų | 35.7 | 57% | 0.566 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -59.3 | -47 | 179.2 | -71.9 | 176.4 | -178.2 | -171.9 | 0.3 | 111 | N289 D290 R296 L297 | N289-R293 WeakPolarHBondContact O-CG 3.42Å; N289-R293 PolarHBondContact O-N 3.16Å; D290-R293 PolarHBondContact O-N 2.73Å; R293-R296 PolarHBondContact O-N 3.37Å; R293-L297 PolarHBondContact O-N 3.41Å |
| 294 | R | 93.4 | Very high | 92.9 | Very high | 33 Ų | 33 | 35.1 Ų | 35.1 | 13% | 0.125 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.7 | -43.9 | 177.2 | -172.7 | 179.3 | -179.5 | 90.2 | 6.9 | 112.2 | L28 E32 S42 P43 D290 M291 I292 R296 L297 A298 | L28-R294 HydrophobicContact CD2-CG 4.2Å; E32-R294 VanDerWaalsContact CD-NH2 3.32Å; E32-R294 IonicContact OE1-CZ 3.21Å; E32-R294 IonicContact OE1-NE 3.37Å; E32-R294 PolarHBondContact OE1-NE 3.48Å; E32-R294 IonicContact OE1-NH2 2.61Å; E32-R294 PolarHBondContact OE1-NH2 3.05Å; E32-R294 IonicContact OE2-CZ 3.82Å; E32-R294 IonicContact OE2-NE 3.01Å; E32-R294 IonicContact OE2-NH2 3.56Å; E32-R294 PolarHBondContact OE2-NH2 3.39Å; S42-R294 PolarHBondContact OG-NH1 3.46Å; P43-R294 PolarHBondContact O-NH2 3.44Å; D290-R294 WeakPolarHBondContact O-CB 3.37Å; D290-R294 PolarHBondContact O-N 3.37Å; M291-R294 PolarHBondContact O-N 2.84Å; I292-R294 PolarHBondContact O-N 3.3Å; R294-R296 PolarHBondContact O-N 2.93Å; R294-L297 PolarHBondContact O-N 3.36Å; R294-A298 WeakPolarHBondContact O-CB 3.16Å; R294-A298 PolarHBondContact O-N 3.5Å |
| 295 | A | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L28 M291 I292 A298 K299 V376 M379 L380 | L28-A295 HydrophobicContact CD1-CB 4.19Å; L28-A295 HydrophobicContact CD2-CB 4.05Å; M291-A295 VanDerWaalsContact O-CB 3.23Å; M291-A295 WeakPolarHBondContact O-CB 3.32Å; M291-A295 PolarHBondContact O-N 3.02Å; I292-A295 PolarHBondContact O-N 3.04Å; A295-A298 PolarHBondContact O-N 3.08Å; A295-K299 WeakPolarHBondContact O-CG 3.48Å; A295-K299 PolarHBondContact O-N 3.24Å; A295-V376 HydrophobicContact CB-CG1 3.99Å; A295-M379 HydrophobicContact CB-CE 3.57Å; A295-L380 HydrophobicContact CB-CD1 4.27Å; A295-L380 HydrophobicContact CB-CD2 3.92Å; A295-L380 HydrophobicContact CB-CG 4.35Å |
| 296 | R | 95.4 | Very high | 93.9 | Very high | 123 Ų | 123 | 32 Ų | 32 | 46% | 0.464 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -61.7 | -49.6 | 174.4 | -71 | 179.7 | -173.6 | 178.6 | 2.3 | 111.2 | I292 R293 R294 A298 K299 V300 | I292-R296 WeakPolarHBondContact O-CG 3.43Å; I292-R296 PolarHBondContact O-N 3.25Å; R293-R296 PolarHBondContact O-N 3.37Å; R294-R296 PolarHBondContact O-N 2.93Å; R296-A298 VanDerWaalsContact C-N 3.32Å; R296-A298 PolarHBondContact O-N 3.41Å; R296-K299 WeakPolarHBondContact O-CB 3.47Å; R296-K299 PolarHBondContact O-N 2.71Å; R296-K299 VanDerWaalsContact O-N 3.17Å; R296-V300 WeakPolarHBondContact O-CG2 3.3Å; R296-V300 PolarHBondContact O-N 3.03Å |
| 297 | L | 95.2 | Very high | 94.4 | Very high | 45 Ų | 45 | 32 Ų | 32 | 24% | 0.236 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 177.8 | -177.6 | 60.7 | 0 | 0 | 0 | 111.9 | F37 H41 R293 R294 K299 V300 H301 P348 | F37-L297 HydrophobicContact CE2-CD2 4.28Å; F37-L297 HydrophobicContact CE2-CG 3.98Å; F37-L297 HydrophobicContact CZ-CD2 4.06Å; F37-L297 HydrophobicContact CZ-CG 4.24Å; H41-L297 HydrophobicContact CB-CD2 4.48Å; R293-L297 PolarHBondContact O-N 3.41Å; R294-L297 PolarHBondContact O-N 3.36Å; L297-K299 PolarHBondContact O-N 3.38Å; L297-V300 PolarHBondContact O-N 3.38Å; L297-H301 VanDerWaalsContact O-CB 3.32Å; L297-H301 WeakPolarHBondContact O-CB 3.47Å; L297-H301 PolarHBondContact O-N 2.94Å; L297-P348 HydrophobicContact CD1-CB 4.36Å |
| 298 | A | 96.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 2% | 0.017 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.7 | -38.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L28 L31 E32 F37 R294 A295 R296 A302 | L28-A298 HydrophobicContact CD1-CB 3.69Å; L31-A298 HydrophobicContact CD2-CB 4.07Å; E32-A298 HydrophobicContact CG-CB 4.21Å; F37-A298 HydrophobicContact CD2-CB 4.04Å; F37-A298 HydrophobicContact CE2-CB 3.92Å; R294-A298 WeakPolarHBondContact O-CB 3.16Å; R294-A298 PolarHBondContact O-N 3.5Å; A295-A298 PolarHBondContact O-N 3.08Å; R296-A298 VanDerWaalsContact C-N 3.32Å; R296-A298 PolarHBondContact O-N 3.41Å; A298-A302 WeakPolarHBondContact O-CB 3.48Å; A298-A302 PolarHBondContact O-N 2.74Å |
| 299 | K | 97 | Very high | 95 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 15% | 0.148 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.7 | -49.4 | 172.3 | -75.6 | -177.5 | 69.4 | -161.2 | 0 | 111.7 | L31 A295 R296 L297 H301 A302 Y303 V376 D377 L380 | L31-K299 HydrophobicContact CD2-CG 4.29Å; A295-K299 WeakPolarHBondContact O-CG 3.48Å; A295-K299 PolarHBondContact O-N 3.24Å; R296-K299 WeakPolarHBondContact O-CB 3.47Å; R296-K299 PolarHBondContact O-N 2.71Å; R296-K299 VanDerWaalsContact O-N 3.17Å; L297-K299 PolarHBondContact O-N 3.38Å; K299-H301 VanDerWaalsContact C-N 3.28Å; K299-H301 PolarHBondContact O-N 2.8Å; K299-A302 PolarHBondContact O-N 3.39Å; K299-Y303 HydrophobicContact CB-CE2 4.49Å; K299-Y303 WeakPolarHBondContact O-CD2 3.49Å; K299-Y303 PolarHBondContact O-N 2.97Å; K299-V376 HydrophobicContact CD-CB 4.39Å; K299-V376 HydrophobicContact CD-CG1 3.89Å; K299-V376 HydrophobicContact CG-CB 4.27Å; K299-V376 HydrophobicContact CG-CG1 3.84Å; K299-D377 VanDerWaalsContact CE-OD1 3.22Å; K299-D377 WeakPolarHBondContact CE-OD1 3.28Å; K299-D377 IonicContact NZ-OD1 3.98Å; K299-D377 PolarHBondContact NZ-OD1 3.02Å; K299-D377 IonicContact NZ-OD2 2.58Å; K299-L380 HydrophobicContact CD-CD1 4.11Å |
| 300 | V | 97 | Very high | 95.3 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.2 | -46.1 | 177.8 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | R296 L297 A302 Y303 L304 I342 D346 F347 | R296-V300 WeakPolarHBondContact O-CG2 3.3Å; R296-V300 PolarHBondContact O-N 3.03Å; L297-V300 PolarHBondContact O-N 3.38Å; V300-A302 PolarHBondContact O-N 3.36Å; V300-Y303 PolarHBondContact O-N 3.36Å; V300-L304 WeakPolarHBondContact O-CB 3.39Å; V300-L304 PolarHBondContact O-N 3.32Å; V300-I342 HydrophobicContact CG2-CD1 4.05Å; V300-I342 HydrophobicContact CG2-CG2 3.52Å; V300-D346 HydrophobicContact CG2-CB 3.99Å; V300-F347 HydrophobicContact CG1-CD1 3.46Å; V300-F347 VanDerWaalsContact CG1-CD1 3.46Å; V300-F347 HydrophobicContact CG1-CD2 4.38Å; V300-F347 HydrophobicContact CG1-CE1 3.61Å; V300-F347 HydrophobicContact CG1-CG 3.89Å; V300-F347 HydrophobicContact CG1-CZ 4.15Å |
| 301 | H | 97.4 | Very high | 95.6 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.009 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.4 | -45 | 176.7 | -175.4 | 70.1 | 0 | 0 | 0 | 112.2 | Y35 F37 F40 H41 L297 K299 Y303 L304 I305 | Y35-H301 PolarHBondContact O-CD2 3.22Å; Y35-H301 PolarHBondContact O-NE2 3.13Å; F37-H301 HydrophobicContact CD2-CB 4.11Å; F37-H301 HydrophobicContact CE2-CB 4.47Å; F40-H301 AromaticContact CD1-CE1 3.97Å; F40-H301 AromaticContact CD2-CE1 3.37Å; F40-H301 WeakPolarHBondContact CD2-CE1 3.46Å; F40-H301 AromaticContact CD2-NE2 3.68Å; F40-H301 AromaticContact CE2-CE1 3.9Å; F40-H301 AromaticContact CG-CE1 3.4Å; F40-H301 VanDerWaalsContact CG-CE1 3.4Å; F40-H301 WeakPolarHBondContact CG-CE1 3.39Å; H41-H301 AromaticContact CD2-CG 3.88Å; H41-H301 AromaticContact CD2-ND1 3.72Å; H41-H301 AromaticContact NE2-CE1 3.69Å; H41-H301 AromaticContact NE2-CG 3.43Å; H41-H301 AromaticContact NE2-ND1 2.96Å; H41-H301 PolarHBondContact NE2-ND1 3.42Å; L297-H301 VanDerWaalsContact O-CB 3.32Å; L297-H301 WeakPolarHBondContact O-CB 3.47Å; L297-H301 PolarHBondContact O-N 2.94Å; K299-H301 VanDerWaalsContact C-N 3.28Å; K299-H301 PolarHBondContact O-N 2.8Å; H301-Y303 PolarHBondContact O-N 2.73Å; H301-L304 PolarHBondContact O-N 2.76Å; H301-I305 WeakPolarHBondContact NE2-CG1 3.28Å; H301-I305 WeakPolarHBondContact O-CG1 3.36Å; H301-I305 PolarHBondContact O-N 3.16Å |
| 302 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L31 Y35 A298 K299 V300 L304 G306 L368 | L31-A302 HydrophobicContact CD1-CB 3.96Å; L31-A302 HydrophobicContact CD2-CB 4.37Å; L31-A302 HydrophobicContact CG-CB 4.24Å; Y35-A302 HydrophobicContact CD1-CB 4.23Å; Y35-A302 HydrophobicContact CD2-CB 3.46Å; Y35-A302 VanDerWaalsContact CD2-CB 3.46Å; Y35-A302 HydrophobicContact CE1-CB 4.36Å; Y35-A302 HydrophobicContact CE2-CB 3.63Å; Y35-A302 HydrophobicContact CG-CB 3.77Å; A298-A302 WeakPolarHBondContact O-CB 3.48Å; A298-A302 PolarHBondContact O-N 2.74Å; K299-A302 PolarHBondContact O-N 3.39Å; V300-A302 PolarHBondContact O-N 3.36Å; A302-L304 VanDerWaalsContact C-N 3.33Å; A302-L304 PolarHBondContact O-N 2.67Å; A302-G306 PolarHBondContact O-N 3.43Å; A302-L368 WeakPolarHBondContact O-CD1 3.41Å |
| 303 | Y | 97.7 | Very high | 95.7 | Very high | 27 Ų | 27 | 40.3 Ų | 40.3 | 11% | 0.106 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -41.9 | 174.8 | -72.3 | -58 | 0 | 0 | 0 | 112.2 | K299 V300 H301 G306 H307 H340 I342 L368 I373 | K299-Y303 HydrophobicContact CB-CE2 4.49Å; K299-Y303 WeakPolarHBondContact O-CD2 3.49Å; K299-Y303 PolarHBondContact O-N 2.97Å; V300-Y303 PolarHBondContact O-N 3.36Å; H301-Y303 PolarHBondContact O-N 2.73Å; Y303-G306 PolarHBondContact O-N 2.87Å; Y303-H307 VanDerWaalsContact O-CB 3.28Å; Y303-H307 WeakPolarHBondContact O-CB 3.38Å; Y303-H307 PolarHBondContact O-N 3.17Å; Y303-H340 AromaticContact CD1-CD2 3.65Å; Y303-H340 AromaticContact CD1-CE1 3.7Å; Y303-H340 AromaticContact CD1-NE2 3.4Å; Y303-H340 WeakPolarHBondContact CD1-NE2 3.22Å; Y303-H340 AromaticContact CE1-CD2 3.83Å; Y303-H340 AromaticContact CE1-CE1 3.33Å; Y303-H340 WeakPolarHBondContact CE1-CE1 3.48Å; Y303-H340 AromaticContact CE1-CG 3.78Å; Y303-H340 AromaticContact CE1-ND1 3.48Å; Y303-H340 WeakPolarHBondContact CE1-ND1 3.41Å; Y303-H340 AromaticContact CE1-NE2 3.56Å; Y303-H340 HydrophobicContact CE2-CB 4.17Å; Y303-H340 AromaticContact CG-CD2 3.86Å; Y303-H340 AromaticContact CZ-CE1 3.97Å; Y303-H340 AromaticContact CZ-CG 3.75Å; Y303-H340 AromaticContact CZ-ND1 3.61Å; Y303-I342 HydrophobicContact CD2-CD1 3.6Å; Y303-I342 HydrophobicContact CE2-CD1 3.8Å; Y303-L368 HydrophobicContact CD1-CD1 4.16Å; Y303-L368 HydrophobicContact CD1-CD2 4.02Å; Y303-L368 HydrophobicContact CE1-CD2 4.25Å; Y303-I373 HydrophobicContact CD1-CD1 3.92Å; Y303-I373 HydrophobicContact CE1-CD1 3.48Å; Y303-I373 VanDerWaalsContact CE1-CD1 3.48Å; Y303-I373 HydrophobicContact CE2-CG2 4.41Å; Y303-I373 WeakPolarHBondContact OH-CG2 3.18Å |
| 304 | L | 97.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.6 | -53.3 | 178.3 | 178.5 | 62.7 | 0 | 0 | 0 | 111.6 | V300 H301 A302 G306 H307 L308 L329 I332 Y333 I336 M353 | V300-L304 WeakPolarHBondContact O-CB 3.39Å; V300-L304 PolarHBondContact O-N 3.32Å; H301-L304 PolarHBondContact O-N 2.76Å; A302-L304 VanDerWaalsContact C-N 3.33Å; A302-L304 PolarHBondContact O-N 2.67Å; L304-G306 VanDerWaalsContact C-N 3.31Å; L304-G306 PolarHBondContact O-N 3.44Å; L304-H307 PolarHBondContact O-N 3.16Å; L304-L308 HydrophobicContact CD1-CD1 4.27Å; L304-L308 HydrophobicContact CD1-CG 4.26Å; L304-L308 HydrophobicContact CG-CD1 4.2Å; L304-L308 VanDerWaalsContact O-CG 3.3Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 2.83Å; L304-L329 HydrophobicContact CD1-CD1 3.84Å; L304-I332 HydrophobicContact CD1-CG2 3.8Å; L304-Y333 HydrophobicContact CD1-CD1 4.22Å; L304-Y333 HydrophobicContact CD1-CE1 3.87Å; L304-Y333 HydrophobicContact CD2-CE1 3.76Å; L304-Y333 HydrophobicContact CG-CE1 4.44Å; L304-I336 HydrophobicContact CB-CD1 4.14Å; L304-I336 HydrophobicContact CD1-CD1 3.96Å; L304-M353 HydrophobicContact CD2-CE 3.56Å |
| 305 | I | 97.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -42.2 | 178.8 | -63.7 | -56.7 | 0 | 0 | 0 | 110.9 | Y35 F40 H301 H307 L308 K309 L357 F365 | Y35-I305 HydrophobicContact CD1-CB 4.09Å; Y35-I305 HydrophobicContact CD1-CG2 3.99Å; F40-I305 HydrophobicContact CE1-CD1 4.45Å; F40-I305 HydrophobicContact CE2-CD1 4.22Å; F40-I305 HydrophobicContact CZ-CD1 3.92Å; H301-I305 WeakPolarHBondContact NE2-CG1 3.28Å; H301-I305 WeakPolarHBondContact O-CG1 3.36Å; H301-I305 PolarHBondContact O-N 3.16Å; I305-H307 PolarHBondContact O-N 3.42Å; I305-L308 PolarHBondContact O-N 3.33Å; I305-K309 WeakPolarHBondContact O-CB 3.23Å; I305-K309 PolarHBondContact O-N 3.14Å; I305-L357 HydrophobicContact CD1-CD2 4.47Å; I305-F365 HydrophobicContact CD1-CD2 4.27Å; I305-F365 HydrophobicContact CD1-CE1 4.38Å; I305-F365 HydrophobicContact CD1-CE2 3.9Å; I305-F365 HydrophobicContact CD1-CZ 3.96Å; I305-F365 HydrophobicContact CG2-CB 3.75Å; I305-F365 HydrophobicContact CG2-CD1 4.19Å; I305-F365 HydrophobicContact CG2-CD2 4Å; I305-F365 HydrophobicContact CG2-CG 3.74Å |
| 306 | G | 96.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.5 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A302 Y303 L304 K310 | A302-G306 PolarHBondContact O-N 3.43Å; Y303-G306 PolarHBondContact O-N 2.87Å; L304-G306 VanDerWaalsContact C-N 3.31Å; L304-G306 PolarHBondContact O-N 3.44Å; G306-K310 WeakPolarHBondContact O-CB 3.47Å; G306-K310 PolarHBondContact O-N 2.82Å |
| 307 | H | 96 | Very high | 94 | Very high | 45 Ų | 45 | 45.6 Ų | 45.6 | 21% | 0.208 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.8 | -47 | 175.3 | -174.9 | 87.9 | 0 | 0 | 0 | 111.5 | Y303 L304 I305 K309 K310 E311 I332 I336 | Y303-H307 VanDerWaalsContact O-CB 3.28Å; Y303-H307 WeakPolarHBondContact O-CB 3.38Å; Y303-H307 PolarHBondContact O-N 3.17Å; L304-H307 PolarHBondContact O-N 3.16Å; I305-H307 PolarHBondContact O-N 3.42Å; H307-K309 VanDerWaalsContact C-N 3.3Å; H307-K309 PolarHBondContact O-N 3.36Å; H307-K310 WeakPolarHBondContact O-CB 3.24Å; H307-K310 PolarHBondContact O-N 3.17Å; H307-K310 VanDerWaalsContact O-N 3.1Å; H307-E311 PolarHBondContact O-N 2.86Å; H307-I332 VanDerWaalsContact CD2-CG2 3.47Å; H307-I332 WeakPolarHBondContact CD2-CG2 3.39Å; H307-I336 HydrophobicContact CB-CD1 4.2Å |
| 308 | L | 96.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 176.5 | -67.1 | 176.4 | 0 | 0 | 0 | 111.3 | L304 I305 K310 E311 M312 L325 I332 L357 F362 F365 | L304-L308 HydrophobicContact CD1-CD1 4.27Å; L304-L308 HydrophobicContact CD1-CG 4.26Å; L304-L308 HydrophobicContact CG-CD1 4.2Å; L304-L308 VanDerWaalsContact O-CG 3.3Å; L304-L308 WeakPolarHBondContact O-CG 3.44Å; L304-L308 PolarHBondContact O-N 2.83Å; I305-L308 PolarHBondContact O-N 3.33Å; L308-K310 VanDerWaalsContact C-N 3.34Å; L308-K310 PolarHBondContact O-N 2.88Å; L308-E311 PolarHBondContact O-N 3.37Å; L308-M312 VanDerWaalsContact O-CG 3.3Å; L308-M312 WeakPolarHBondContact O-CG 3.4Å; L308-M312 PolarHBondContact O-N 2.83Å; L308-L325 HydrophobicContact CD2-CB 3.94Å; L308-L325 HydrophobicContact CD2-CD1 4.1Å; L308-L325 HydrophobicContact CD2-CD2 4.42Å; L308-L325 HydrophobicContact CD2-CG 4.38Å; L308-I332 HydrophobicContact CD2-CD1 3.91Å; L308-L357 HydrophobicContact CD1-CD1 4.08Å; L308-L357 HydrophobicContact CD1-CD2 3.7Å; L308-F362 HydrophobicContact CB-CD2 4.25Å; L308-F362 HydrophobicContact CB-CE2 4.33Å; L308-F362 HydrophobicContact CD1-CE2 4.05Å; L308-F362 HydrophobicContact CD1-CZ 4.03Å; L308-F362 HydrophobicContact CD2-CE2 3.9Å; L308-F362 HydrophobicContact CG-CE2 4.32Å; L308-F365 HydrophobicContact CB-CD2 4.2Å; L308-F365 HydrophobicContact CB-CE2 4.35Å; L308-F365 HydrophobicContact CD1-CE2 4.13Å |
| 309 | K | 95.8 | Very high | 93.6 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 27% | 0.265 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 174.8 | 178.2 | 54.5 | 171.1 | -172.9 | 0 | 112.2 | I305 H307 E311 M312 T363 F365 | I305-K309 WeakPolarHBondContact O-CB 3.23Å; I305-K309 PolarHBondContact O-N 3.14Å; H307-K309 VanDerWaalsContact C-N 3.3Å; H307-K309 PolarHBondContact O-N 3.36Å; K309-E311 VanDerWaalsContact C-N 3.34Å; K309-E311 PolarHBondContact O-N 2.81Å; K309-M312 PolarHBondContact O-N 2.85Å; K309-T363 PolarHBondContact NZ-O 3.18Å; K309-F365 HydrophobicContact CB-CB 3.96Å; K309-F365 HydrophobicContact CD-CB 4.33Å; K309-F365 WeakPolarHBondContact CD-O 3.3Å; K309-F365 WeakPolarHBondContact CE-O 3.31Å; K309-F365 HydrophobicContact CG-CB 4.46Å; K309-F365 WeakPolarHBondContact CG-O 3.42Å |
| 310 | K | 95.1 | Very high | 93.5 | Very high | 171 Ų | 171 | 60 Ų | 60 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.4 | -36.9 | 179.7 | -174.6 | -178 | 176.7 | -176.4 | 0 | 112.5 | G306 H307 L308 M312 | G306-K310 WeakPolarHBondContact O-CB 3.47Å; G306-K310 PolarHBondContact O-N 2.82Å; H307-K310 WeakPolarHBondContact O-CB 3.24Å; H307-K310 PolarHBondContact O-N 3.17Å; H307-K310 VanDerWaalsContact O-N 3.1Å; L308-K310 VanDerWaalsContact C-N 3.34Å; L308-K310 PolarHBondContact O-N 2.88Å; K310-M312 VanDerWaalsContact C-N 3.33Å |
| 311 | E | 94.7 | Very high | 93.4 | Very high | 75 Ų | 75 | 62 Ų | 62 | 35% | 0.35 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -80.5 | -9.6 | -179.1 | -70.5 | -61.7 | 126.6 | 0 | 0 | 114.3 | H307 L308 K309 K321 L325 | H307-E311 PolarHBondContact O-N 2.86Å; L308-E311 PolarHBondContact O-N 3.37Å; K309-E311 VanDerWaalsContact C-N 3.34Å; K309-E311 PolarHBondContact O-N 2.81Å; E311-K321 WeakPolarHBondContact O-CE 3.48Å; E311-K321 IonicContact OE2-NZ 3.73Å; E311-L325 HydrophobicContact CB-CD1 3.97Å; E311-L325 HydrophobicContact CB-CD2 3.82Å; E311-L325 HydrophobicContact CG-CD2 4.14Å |
| 312 | M | 93.5 | Very high | 93.3 | Very high | 22 Ų | 22 | 63.8 Ų | 63.8 | 11% | 0.108 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -78.8 | 131.2 | -177.6 | -79.9 | -65.6 | -68.3 | 0 | 0 | 112.7 | L308 K309 K310 K318 K321 L325 F362 T363 | L308-M312 VanDerWaalsContact O-CG 3.3Å; L308-M312 WeakPolarHBondContact O-CG 3.4Å; L308-M312 PolarHBondContact O-N 2.83Å; K309-M312 PolarHBondContact O-N 2.85Å; K310-M312 VanDerWaalsContact C-N 3.33Å; M312-K318 HydrophobicContact CE-CB 3.88Å; M312-K318 HydrophobicContact CE-CG 4.12Å; M312-K321 HydrophobicContact SD-CG 4.49Å; M312-L325 HydrophobicContact SD-CD1 4.25Å; M312-F362 HydrophobicContact CE-CB 3.88Å; M312-F362 HydrophobicContact CG-CB 3.65Å; M312-F362 HydrophobicContact CG-CD2 4.23Å; M312-F362 HydrophobicContact CG-CG 4.49Å; M312-F362 HydrophobicContact SD-CB 3.71Å; M312-F362 HydrophobicContact SD-CD2 3.92Å; M312-F362 HydrophobicContact SD-CG 4.3Å; M312-T363 HydrophobicContact CE-CG2 3.92Å |
| 313 | P | 92 | Very high | 93.2 | Very high | 45 Ų | 45 | 68.4 Ų | 68.4 | 29% | 0.292 | 36% | 0.355 | S | S | . | . | trans | -72.3 | 140.3 | 174.4 | 29.8 | -35.5 | 0 | 0 | 0 | 111.2 | I315 V316 K318 K321 | P313-I315 VanDerWaalsContact C-N 3.33Å; P313-I315 PolarHBondContact O-N 3.04Å; P313-V316 WeakPolarHBondContact CB-O 3.49Å; P313-V316 VanDerWaalsContact CG-O 3.25Å; P313-V316 WeakPolarHBondContact CG-O 3.34Å; P313-K318 HydrophobicContact CG-CG 4.27Å; P313-K318 WeakPolarHBondContact O-CE 3.22Å; P313-K321 HydrophobicContact CG-CB 4.24Å | ||
| 314 | S | 85 | Confident | 93.1 | Very high | 109 Ų | 109 | 71 Ų | 71 | 76% | 0.762 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -67.6 | -30.1 | -177.2 | -56.5 | 0 | 0 | 0 | 0 | 113.8 | K318 | S314-K318 WeakPolarHBondContact O-CE 3.38Å; S314-K318 PolarHBondContact O-NZ 2.59Å |
| 315 | I | 81.1 | Confident | 93.1 | Very high | 145 Ų | 145 | 71.2 Ų | 71.2 | 74% | 0.744 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -125.3 | -65.6 | -166 | -49.4 | 177.2 | 0 | 0 | 0 | 112.3 | P313 | P313-I315 VanDerWaalsContact C-N 3.33Å; P313-I315 PolarHBondContact O-N 3.04Å |
| 316 | V | 86.4 | Confident | 93 | Very high | 123 Ų | 123 | 71.5 Ų | 71.5 | 75% | 0.745 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -113.4 | 147.4 | -170.3 | -176.3 | 0 | 0 | 0 | 0 | 111.4 | P313 | P313-V316 WeakPolarHBondContact CB-O 3.49Å; P313-V316 VanDerWaalsContact CG-O 3.25Å; P313-V316 WeakPolarHBondContact CG-O 3.34Å |
| 317 | G | 89.3 | Confident | 93 | Very high | 41 Ų | 41 | 76 Ų | 76 | 42% | 0.423 | 39% | 0.393 | S | S | . | . | trans | 84 | 10.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | N319 K320 K321 | G317-N319 PolarHBondContact O-N 3.06Å; G317-K320 PolarHBondContact O-N 2.96Å; G317-K321 PolarHBondContact O-N 3.11Å | ||
| 318 | K | 91.9 | Very high | 93 | Very high | 71 Ų | 71 | 76.9 Ų | 76.9 | 31% | 0.309 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -50.9 | -49.5 | -176.8 | -67.3 | 173 | 173.5 | -176.4 | 0 | 113.5 | M312 P313 S314 K321 K322 T363 | M312-K318 HydrophobicContact CE-CB 3.88Å; M312-K318 HydrophobicContact CE-CG 4.12Å; P313-K318 HydrophobicContact CG-CG 4.27Å; P313-K318 WeakPolarHBondContact O-CE 3.22Å; S314-K318 WeakPolarHBondContact O-CE 3.38Å; S314-K318 PolarHBondContact O-NZ 2.59Å; K318-K321 PolarHBondContact O-N 3.36Å; K318-K322 WeakPolarHBondContact O-CB 3.3Å; K318-K322 PolarHBondContact O-N 3.06Å; K318-T363 HydrophobicContact CD-CG2 3.69Å; K318-T363 HydrophobicContact CG-CG2 4.32Å |
| 319 | N | 91.6 | Very high | 93.1 | Very high | 139 Ų | 139 | 76.9 Ų | 76.9 | 74% | 0.743 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -66 | -42 | -178.8 | -68.1 | -14.6 | 0 | 0 | 0 | 112.4 | G317 K322 Q323 | G317-N319 PolarHBondContact O-N 3.06Å; N319-K322 PolarHBondContact O-N 2.88Å; N319-Q323 PolarHBondContact O-N 3.42Å |
| 320 | K | 93.9 | Very high | 93.1 | Very high | 172 Ų | 172 | 78.2 Ų | 78.2 | 75% | 0.748 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.8 | -45 | 177.3 | -173.1 | 178.5 | 178.1 | -178.4 | 0 | 110.8 | G317 Q323 E324 | G317-K320 PolarHBondContact O-N 2.96Å; K320-Q323 PolarHBondContact O-N 3.32Å; K320-E324 WeakPolarHBondContact O-CB 3.36Å; K320-E324 PolarHBondContact O-N 3.33Å |
| 321 | K | 95.1 | Very high | 93.2 | Very high | 44 Ų | 44 | 76 Ų | 76 | 19% | 0.191 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -66.5 | -40.7 | 177.8 | -171.1 | 66 | 177.2 | 176.9 | 0 | 112.1 | E311 M312 P313 G317 K318 Q323 E324 L325 | E311-K321 WeakPolarHBondContact O-CE 3.48Å; E311-K321 IonicContact OE2-NZ 3.73Å; M312-K321 HydrophobicContact SD-CG 4.49Å; P313-K321 HydrophobicContact CG-CB 4.24Å; G317-K321 PolarHBondContact O-N 3.11Å; K318-K321 PolarHBondContact O-N 3.36Å; K321-Q323 VanDerWaalsContact C-N 3.35Å; K321-Q323 PolarHBondContact O-N 2.95Å; K321-E324 IonicContact NZ-OE1 2.79Å; K321-E324 PolarHBondContact NZ-OE1 3.46Å; K321-E324 IonicContact NZ-OE2 3.45Å; K321-E324 WeakPolarHBondContact O-CB 3.09Å; K321-E324 PolarHBondContact O-N 3.5Å; K321-L325 HydrophobicContact CD-CG 4.49Å; K321-L325 HydrophobicContact CG-CD1 4.12Å; K321-L325 HydrophobicContact CG-CG 4.33Å; K321-L325 VanDerWaalsContact O-CG 3.28Å; K321-L325 WeakPolarHBondContact O-CG 3.27Å; K321-L325 PolarHBondContact O-N 2.84Å |
| 322 | K | 94.9 | Very high | 93.3 | Very high | 40 Ų | 40 | 72.9 Ų | 72.9 | 17% | 0.174 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -54.9 | -50.3 | 173.2 | 174.5 | -179.2 | 168.3 | -178.4 | 0 | 111 | K318 N319 E324 L325 I326 L357 S358 Q360 F362 | K318-K322 WeakPolarHBondContact O-CB 3.3Å; K318-K322 PolarHBondContact O-N 3.06Å; N319-K322 PolarHBondContact O-N 2.88Å; K322-E324 VanDerWaalsContact C-N 3.34Å; K322-E324 PolarHBondContact O-N 2.8Å; K322-L325 PolarHBondContact O-N 3.44Å; K322-I326 HydrophobicContact CG-CD1 3.9Å; K322-I326 WeakPolarHBondContact O-CG1 3.5Å; K322-I326 PolarHBondContact O-N 3.35Å; K322-L357 VanDerWaalsContact CE-O 3.29Å; K322-L357 WeakPolarHBondContact CE-O 3.43Å; K322-S358 WeakPolarHBondContact CE-O 3.19Å; K322-S358 PolarHBondContact NZ-O 2.95Å; K322-Q360 VanDerWaalsContact CE-O 3.27Å; K322-Q360 WeakPolarHBondContact CE-O 3.32Å; K322-Q360 PolarHBondContact NZ-O 3.29Å; K322-F362 HydrophobicContact CB-CD2 4.37Å; K322-F362 HydrophobicContact CD-CD1 4.37Å; K322-F362 HydrophobicContact CD-CE1 4.5Å; K322-F362 HydrophobicContact CG-CD1 4.31Å; K322-F362 HydrophobicContact CG-CD2 4.15Å; K322-F362 HydrophobicContact CG-CE1 4.22Å; K322-F362 HydrophobicContact CG-CE2 4.05Å; K322-F362 HydrophobicContact CG-CG 4.28Å; K322-F362 HydrophobicContact CG-CZ 4.09Å |
| 323 | Q | 95.1 | Very high | 93.5 | Very high | 98 Ų | 98 | 72.3 Ų | 72.3 | 46% | 0.458 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 179.3 | -168.9 | 62.5 | 43.3 | 0 | 0 | 112.1 | N319 K320 K321 I326 N327 | N319-Q323 PolarHBondContact O-N 3.42Å; K320-Q323 PolarHBondContact O-N 3.32Å; K321-Q323 VanDerWaalsContact C-N 3.35Å; K321-Q323 PolarHBondContact O-N 2.95Å; Q323-I326 PolarHBondContact O-N 3.4Å; Q323-N327 PolarHBondContact NE2-OD1 2.94Å; Q323-N327 WeakPolarHBondContact O-CB 3.41Å; Q323-N327 PolarHBondContact O-N 2.88Å; Q323-N327 PolarHBondContact O-OD1 3.22Å |
| 324 | E | 96.4 | Very high | 93.8 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.6 | -46.3 | 174.9 | -176.9 | -164.7 | 131.7 | 0 | 0 | 111.9 | K320 K321 K322 N327 N328 | K320-E324 WeakPolarHBondContact O-CB 3.36Å; K320-E324 PolarHBondContact O-N 3.33Å; K321-E324 IonicContact NZ-OE1 2.79Å; K321-E324 PolarHBondContact NZ-OE1 3.46Å; K321-E324 IonicContact NZ-OE2 3.45Å; K321-E324 WeakPolarHBondContact O-CB 3.09Å; K321-E324 PolarHBondContact O-N 3.5Å; K322-E324 VanDerWaalsContact C-N 3.34Å; K322-E324 PolarHBondContact O-N 2.8Å; E324-N327 PolarHBondContact O-N 3.48Å; E324-N328 WeakPolarHBondContact O-CB 3.21Å; E324-N328 PolarHBondContact O-N 2.99Å; E324-N328 PolarHBondContact O-ND2 3.4Å |
| 325 | L | 96.7 | Very high | 94.3 | Very high | 7 Ų | 7 | 71.2 Ų | 71.2 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 178.9 | -69.6 | 171 | 0 | 0 | 0 | 112.3 | L308 E311 M312 K321 K322 N328 L329 I332 F362 | L308-L325 HydrophobicContact CD2-CB 3.94Å; L308-L325 HydrophobicContact CD2-CD1 4.1Å; L308-L325 HydrophobicContact CD2-CD2 4.42Å; L308-L325 HydrophobicContact CD2-CG 4.38Å; E311-L325 HydrophobicContact CB-CD1 3.97Å; E311-L325 HydrophobicContact CB-CD2 3.82Å; E311-L325 HydrophobicContact CG-CD2 4.14Å; M312-L325 HydrophobicContact SD-CD1 4.25Å; K321-L325 HydrophobicContact CD-CG 4.49Å; K321-L325 HydrophobicContact CG-CD1 4.12Å; K321-L325 HydrophobicContact CG-CG 4.33Å; K321-L325 VanDerWaalsContact O-CG 3.28Å; K321-L325 WeakPolarHBondContact O-CG 3.27Å; K321-L325 PolarHBondContact O-N 2.84Å; K322-L325 PolarHBondContact O-N 3.44Å; L325-N328 CarbonylContact O-C 3.58Å; L325-N328 PolarHBondContact O-N 3.3Å; L325-L329 PolarHBondContact O-N 3.45Å; L325-L329 VanDerWaalsContact O-N 3.12Å; L325-I332 HydrophobicContact CB-CD1 4.23Å; L325-I332 HydrophobicContact CD2-CD1 3.77Å; L325-I332 WeakPolarHBondContact O-CD1 3.35Å; L325-F362 HydrophobicContact CB-CE2 4.13Å; L325-F362 HydrophobicContact CD1-CD2 4.08Å; L325-F362 HydrophobicContact CD1-CE2 4.12Å |
| 326 | I | 96.5 | Very high | 95 | Very high | 7 Ų | 7 | 64.5 Ų | 64.5 | 4% | 0.036 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.6 | -42.6 | 176.6 | -67.1 | 169.7 | 0 | 0 | 0 | 110.7 | K322 Q323 N328 L329 Q354 L357 F362 | K322-I326 HydrophobicContact CG-CD1 3.9Å; K322-I326 WeakPolarHBondContact O-CG1 3.5Å; K322-I326 PolarHBondContact O-N 3.35Å; Q323-I326 PolarHBondContact O-N 3.4Å; I326-N328 VanDerWaalsContact C-N 3.31Å; I326-N328 PolarHBondContact O-N 2.95Å; I326-L329 VanDerWaalsContact O-CB 3.31Å; I326-L329 WeakPolarHBondContact O-CB 3.23Å; I326-L329 PolarHBondContact O-N 3.04Å; I326-Q354 HydrophobicContact CG2-CB 4.01Å; I326-Q354 HydrophobicContact CG2-CG 4Å; I326-Q354 PolarHBondContact O-NE2 3.37Å; I326-L357 HydrophobicContact CD1-CB 4.21Å; I326-L357 HydrophobicContact CG1-CB 4.12Å; I326-F362 HydrophobicContact CD1-CZ 4.1Å; I326-F362 HydrophobicContact CG1-CE2 4.44Å; I326-F362 HydrophobicContact CG1-CZ 3.84Å |
| 327 | N | 96.4 | Very high | 95.5 | Very high | 100 Ų | 100 | 59.7 Ų | 59.7 | 54% | 0.535 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 178 | -69.6 | -5.5 | 0 | 0 | 0 | 111.8 | Q323 E324 | Q323-N327 PolarHBondContact NE2-OD1 2.94Å; Q323-N327 WeakPolarHBondContact O-CB 3.41Å; Q323-N327 PolarHBondContact O-N 2.88Å; Q323-N327 PolarHBondContact O-OD1 3.22Å; E324-N327 PolarHBondContact O-N 3.48Å |
| 328 | N | 96.6 | Very high | 95.8 | Very high | 64 Ų | 64 | 66.3 Ų | 66.3 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 16.4 | -179.6 | -65.5 | -33 | 0 | 0 | 0 | 113.6 | E324 L325 I326 Q330 Q331 I332 | E324-N328 WeakPolarHBondContact O-CB 3.21Å; E324-N328 PolarHBondContact O-N 2.99Å; E324-N328 PolarHBondContact O-ND2 3.4Å; L325-N328 CarbonylContact O-C 3.58Å; L325-N328 PolarHBondContact O-N 3.3Å; I326-N328 VanDerWaalsContact C-N 3.31Å; I326-N328 PolarHBondContact O-N 2.95Å; N328-Q330 PolarHBondContact O-N 3.43Å; N328-Q330 VanDerWaalsContact O-N 3.13Å; N328-Q331 WeakPolarHBondContact O-CB 3.45Å; N328-Q331 PolarHBondContact O-N 3.46Å; N328-I332 PolarHBondContact O-N 2.9Å |
| 329 | L | 97 | Very high | 96 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.3 | -34 | -172.2 | -172.9 | 65.6 | 0 | 0 | 0 | 113.5 | L304 L325 I326 Q331 I332 Y333 L350 M353 Q354 L357 | L304-L329 HydrophobicContact CD1-CD1 3.84Å; L325-L329 PolarHBondContact O-N 3.45Å; L325-L329 VanDerWaalsContact O-N 3.12Å; I326-L329 VanDerWaalsContact O-CB 3.31Å; I326-L329 WeakPolarHBondContact O-CB 3.23Å; I326-L329 PolarHBondContact O-N 3.04Å; L329-Q331 PolarHBondContact O-N 2.79Å; L329-I332 WeakPolarHBondContact O-CB 3.45Å; L329-I332 PolarHBondContact O-N 3.07Å; L329-Y333 HydrophobicContact CD1-CD1 4.22Å; L329-Y333 HydrophobicContact CD1-CE1 3.67Å; L329-Y333 HydrophobicContact CD2-CE1 4.15Å; L329-Y333 HydrophobicContact CG-CD1 4.19Å; L329-Y333 HydrophobicContact CG-CE1 3.65Å; L329-Y333 WeakPolarHBondContact O-CD1 3.3Å; L329-Y333 PolarHBondContact O-N 3.09Å; L329-L350 HydrophobicContact CB-CD1 3.87Å; L329-L350 HydrophobicContact CD2-CD1 3.86Å; L329-L350 HydrophobicContact CG-CD1 3.8Å; L329-M353 HydrophobicContact CD2-CB 3.87Å; L329-Q354 HydrophobicContact CB-CG 4.36Å; L329-Q354 HydrophobicContact CD2-CG 3.69Å; L329-L357 HydrophobicContact CD1-CD1 4.05Å; L329-L357 HydrophobicContact CD2-CD1 3.98Å |
| 330 | Q | 97 | Very high | 96.1 | Very high | 89 Ų | 89 | 65 Ų | 65 | 42% | 0.416 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 176.1 | -176.2 | 60.1 | 56.6 | 0 | 0 | 111.9 | N328 I332 Y333 D334 L350 | N328-Q330 PolarHBondContact O-N 3.43Å; N328-Q330 VanDerWaalsContact O-N 3.13Å; Q330-I332 VanDerWaalsContact C-N 3.25Å; Q330-I332 PolarHBondContact O-N 3.33Å; Q330-Y333 WeakPolarHBondContact O-CB 3.29Å; Q330-Y333 PolarHBondContact O-N 3.35Å; Q330-Y333 VanDerWaalsContact O-N 3.13Å; Q330-D334 PolarHBondContact NE2-OD1 3.12Å; Q330-D334 VanDerWaalsContact O-CG 3.22Å; Q330-D334 PolarHBondContact O-N 3.45Å; Q330-L350 HydrophobicContact CB-CD1 4.16Å; Q330-L350 HydrophobicContact CB-CD2 4.22Å |
| 331 | Q | 96.9 | Very high | 96.1 | Very high | 124 Ų | 124 | 65.3 Ų | 65.3 | 58% | 0.579 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -66.3 | -32.7 | 177.3 | -62.1 | 176.5 | 3.1 | 0 | 0 | 111.4 | N328 L329 D334 T335 | N328-Q331 WeakPolarHBondContact O-CB 3.45Å; N328-Q331 PolarHBondContact O-N 3.46Å; L329-Q331 PolarHBondContact O-N 2.79Å; Q331-D334 PolarHBondContact O-N 2.76Å; Q331-T335 WeakPolarHBondContact O-CB 3.37Å; Q331-T335 PolarHBondContact O-N 2.76Å; Q331-T335 PolarHBondContact O-OG1 2.75Å |
| 332 | I | 96.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 64.1 Ų | 64.1 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65 | -43.5 | 172.9 | -62.5 | 173.8 | 0 | 0 | 0 | 110 | L304 H307 L308 L325 N328 L329 Q330 D334 T335 I336 | L304-I332 HydrophobicContact CD1-CG2 3.8Å; H307-I332 VanDerWaalsContact CD2-CG2 3.47Å; H307-I332 WeakPolarHBondContact CD2-CG2 3.39Å; L308-I332 HydrophobicContact CD2-CD1 3.91Å; L325-I332 HydrophobicContact CB-CD1 4.23Å; L325-I332 HydrophobicContact CD2-CD1 3.77Å; L325-I332 WeakPolarHBondContact O-CD1 3.35Å; N328-I332 PolarHBondContact O-N 2.9Å; L329-I332 WeakPolarHBondContact O-CB 3.45Å; L329-I332 PolarHBondContact O-N 3.07Å; Q330-I332 VanDerWaalsContact C-N 3.25Å; Q330-I332 PolarHBondContact O-N 3.33Å; I332-D334 PolarHBondContact O-N 3.28Å; I332-T335 PolarHBondContact O-N 3.15Å; I332-I336 HydrophobicContact CG2-CD1 3.77Å; I332-I336 HydrophobicContact CG2-CG1 4.37Å; I332-I336 WeakPolarHBondContact O-CG1 3.26Å; I332-I336 PolarHBondContact O-N 3.22Å |
| 333 | Y | 97.6 | Very high | 96 | Very high | 10 Ų | 10 | 65.3 Ų | 65.3 | 4% | 0.039 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.5 | -48 | 175.3 | -74 | 11.3 | 0 | 0 | 0 | 111.3 | L304 L329 Q330 T335 I336 S337 F347 P348 L350 M353 | L304-Y333 HydrophobicContact CD1-CD1 4.22Å; L304-Y333 HydrophobicContact CD1-CE1 3.87Å; L304-Y333 HydrophobicContact CD2-CE1 3.76Å; L304-Y333 HydrophobicContact CG-CE1 4.44Å; L329-Y333 HydrophobicContact CD1-CD1 4.22Å; L329-Y333 HydrophobicContact CD1-CE1 3.67Å; L329-Y333 HydrophobicContact CD2-CE1 4.15Å; L329-Y333 HydrophobicContact CG-CD1 4.19Å; L329-Y333 HydrophobicContact CG-CE1 3.65Å; L329-Y333 WeakPolarHBondContact O-CD1 3.3Å; L329-Y333 PolarHBondContact O-N 3.09Å; Q330-Y333 WeakPolarHBondContact O-CB 3.29Å; Q330-Y333 PolarHBondContact O-N 3.35Å; Q330-Y333 VanDerWaalsContact O-N 3.13Å; Y333-T335 PolarHBondContact O-N 3.13Å; Y333-I336 PolarHBondContact O-N 3.35Å; Y333-S337 VanDerWaalsContact O-CB 3.28Å; Y333-S337 WeakPolarHBondContact O-CB 3.38Å; Y333-S337 PolarHBondContact O-N 3.02Å; Y333-F347 AromaticContact CD1-CD1 3.79Å; Y333-F347 HydrophobicContact CD1-CD1 3.79Å; Y333-F347 HydrophobicContact CD1-CE1 4.09Å; Y333-F347 HydrophobicContact CD2-CB 3.88Å; Y333-F347 AromaticContact CD2-CD1 3.64Å; Y333-F347 HydrophobicContact CD2-CD1 3.64Å; Y333-F347 HydrophobicContact CD2-CG 4Å; Y333-F347 HydrophobicContact CE1-CD1 4.21Å; Y333-F347 HydrophobicContact CE2-CB 3.98Å; Y333-F347 HydrophobicContact CE2-CD1 4.08Å; Y333-F347 HydrophobicContact CE2-CG 4.45Å; Y333-F347 AromaticContact CG-CD1 3.48Å; Y333-F347 HydrophobicContact CG-CD1 3.48Å; Y333-F347 VanDerWaalsContact CG-CD1 3.48Å; Y333-F347 AromaticContact CG-CE1 3.93Å; Y333-F347 HydrophobicContact CG-CE1 3.93Å; Y333-F347 HydrophobicContact CG-CG 4.23Å; Y333-P348 WeakPolarHBondContact CE2-O 3.17Å; Y333-L350 HydrophobicContact CD2-CD1 4.28Å; Y333-L350 HydrophobicContact CE2-CD1 4.02Å; Y333-M353 VanDerWaalsContact OH-CB 3.32Å; Y333-M353 WeakPolarHBondContact OH-CB 3.39Å; Y333-M353 VanDerWaalsContact OH-CG 3.25Å; Y333-M353 WeakPolarHBondContact OH-CG 3.45Å |
| 334 | D | 96.8 | Very high | 95.8 | Very high | 75 Ų | 75 | 65.5 Ų | 65.5 | 40% | 0.401 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.1 | -32.7 | 179.1 | -58.1 | -22.5 | 0 | 0 | 0 | 112.1 | Q330 Q331 I332 R338 | Q330-D334 PolarHBondContact NE2-OD1 3.12Å; Q330-D334 VanDerWaalsContact O-CG 3.22Å; Q330-D334 PolarHBondContact O-N 3.45Å; Q331-D334 PolarHBondContact O-N 2.76Å; I332-D334 PolarHBondContact O-N 3.28Å; D334-R338 WeakPolarHBondContact O-CB 2.89Å; D334-R338 WeakPolarHBondContact O-CG 3.33Å; D334-R338 PolarHBondContact O-N 2.76Å; D334-R338 VanDerWaalsContact O-N 3.16Å; D334-R338 PolarHBondContact O-NE 2.96Å |
| 335 | T | 96.4 | Very high | 95.4 | Very high | 56 Ų | 56 | 65 Ų | 65 | 34% | 0.344 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -70.9 | -47.1 | 175.8 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | Q331 I332 Y333 R338 L339 | Q331-T335 WeakPolarHBondContact O-CB 3.37Å; Q331-T335 PolarHBondContact O-N 2.76Å; Q331-T335 PolarHBondContact O-OG1 2.75Å; I332-T335 PolarHBondContact O-N 3.15Å; Y333-T335 PolarHBondContact O-N 3.13Å; T335-R338 PolarHBondContact O-N 2.84Å; T335-L339 VanDerWaalsContact O-CB 3.3Å; T335-L339 WeakPolarHBondContact O-CB 3.41Å; T335-L339 PolarHBondContact O-N 3.48Å |
| 336 | I | 96.6 | Very high | 95.2 | Very high | 4 Ų | 4 | 66.9 Ų | 66.9 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 176.9 | -68.5 | 170.9 | 0 | 0 | 0 | 110.6 | L304 H307 I332 Y333 R338 L339 H340 I342 F347 | L304-I336 HydrophobicContact CB-CD1 4.14Å; L304-I336 HydrophobicContact CD1-CD1 3.96Å; H307-I336 HydrophobicContact CB-CD1 4.2Å; I332-I336 HydrophobicContact CG2-CD1 3.77Å; I332-I336 HydrophobicContact CG2-CG1 4.37Å; I332-I336 WeakPolarHBondContact O-CG1 3.26Å; I332-I336 PolarHBondContact O-N 3.22Å; Y333-I336 PolarHBondContact O-N 3.35Å; I336-R338 PolarHBondContact O-N 2.92Å; I336-L339 PolarHBondContact O-N 3.36Å; I336-H340 PolarHBondContact O-N 2.77Å; I336-I342 HydrophobicContact CG2-CD1 4.22Å; I336-F347 HydrophobicContact CB-CE1 4.17Å; I336-F347 HydrophobicContact CB-CZ 4.13Å; I336-F347 HydrophobicContact CG2-CE1 3.98Å; I336-F347 HydrophobicContact CG2-CZ 3.84Å |
| 337 | S | 96.5 | Very high | 95.1 | Very high | 22 Ų | 22 | 67.8 Ų | 67.8 | 15% | 0.154 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57 | -47.7 | 177.5 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | Y333 H341 I342 | Y333-S337 VanDerWaalsContact O-CB 3.28Å; Y333-S337 WeakPolarHBondContact O-CB 3.38Å; Y333-S337 PolarHBondContact O-N 3.02Å; S337-H341 VanDerWaalsContact O-CA 3.23Å; S337-H341 WeakPolarHBondContact O-CA 3.49Å; S337-H341 PolarHBondContact O-N 3.45Å; S337-I342 WeakPolarHBondContact CB-O 3.16Å; S337-I342 PolarHBondContact O-N 2.73Å; S337-I342 VanDerWaalsContact O-N 3.07Å; S337-I342 PolarHBondContact OG-O 3.25Å |
| 338 | R | 96.1 | Very high | 94.9 | Very high | 180 Ų | 180 | 63.9 Ų | 63.9 | 68% | 0.679 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67.6 | -44 | 177.2 | -74.2 | -176.8 | -66.6 | 174.9 | 1.4 | 113.1 | D334 T335 I336 | D334-R338 WeakPolarHBondContact O-CB 2.89Å; D334-R338 WeakPolarHBondContact O-CG 3.33Å; D334-R338 PolarHBondContact O-N 2.76Å; D334-R338 VanDerWaalsContact O-N 3.16Å; D334-R338 PolarHBondContact O-NE 2.96Å; T335-R338 PolarHBondContact O-N 2.84Å; I336-R338 PolarHBondContact O-N 2.92Å |
| 339 | L | 95.2 | Very high | 94.7 | Very high | 117 Ų | 117 | 68.8 Ų | 68.8 | 61% | 0.613 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -69.4 | -35.8 | -174.9 | -176.8 | 63.3 | 0 | 0 | 0 | 112.8 | T335 I336 | T335-L339 VanDerWaalsContact O-CB 3.3Å; T335-L339 WeakPolarHBondContact O-CB 3.41Å; T335-L339 PolarHBondContact O-N 3.48Å; I336-L339 PolarHBondContact O-N 3.36Å |
| 340 | H | 94.2 | Very high | 94.5 | Very high | 65 Ų | 65 | 71.1 Ų | 71.1 | 30% | 0.301 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -112.6 | 7 | -174.4 | -62.5 | -64.4 | 0 | 0 | 0 | 113.8 | Y303 I336 I342 | Y303-H340 AromaticContact CD1-CD2 3.65Å; Y303-H340 AromaticContact CD1-CE1 3.7Å; Y303-H340 AromaticContact CD1-NE2 3.4Å; Y303-H340 WeakPolarHBondContact CD1-NE2 3.22Å; Y303-H340 AromaticContact CE1-CD2 3.83Å; Y303-H340 AromaticContact CE1-CE1 3.33Å; Y303-H340 WeakPolarHBondContact CE1-CE1 3.48Å; Y303-H340 AromaticContact CE1-CG 3.78Å; Y303-H340 AromaticContact CE1-ND1 3.48Å; Y303-H340 WeakPolarHBondContact CE1-ND1 3.41Å; Y303-H340 AromaticContact CE1-NE2 3.56Å; Y303-H340 HydrophobicContact CE2-CB 4.17Å; Y303-H340 AromaticContact CG-CD2 3.86Å; Y303-H340 AromaticContact CZ-CE1 3.97Å; Y303-H340 AromaticContact CZ-CG 3.75Å; Y303-H340 AromaticContact CZ-ND1 3.61Å; I336-H340 PolarHBondContact O-N 2.77Å; H340-I342 VanDerWaalsContact C-N 3.32Å; H340-I342 HydrophobicContact CB-CD1 3.78Å; H340-I342 HydrophobicContact CB-CG1 3.82Å; H340-I342 PolarHBondContact O-N 3.46Å |
| 341 | H | 94 | Very high | 94.4 | Very high | 178 Ų | 178 | 71 Ų | 71 | 82% | 0.824 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 44.8 | -179.1 | -55.1 | -67.8 | 0 | 0 | 0 | 113.6 | S337 | S337-H341 VanDerWaalsContact O-CA 3.23Å; S337-H341 WeakPolarHBondContact O-CA 3.49Å; S337-H341 PolarHBondContact O-N 3.45Å |
| 342 | I | 94.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 69.3 Ų | 69.3 | 10% | 0.097 | 37% | 0.373 | C | S | . | . | trans | -97.4 | 134 | -177.9 | -58.3 | 179.2 | 0 | 0 | 0 | 109.4 | V300 Y303 I336 S337 H340 D346 F347 | V300-I342 HydrophobicContact CG2-CD1 4.05Å; V300-I342 HydrophobicContact CG2-CG2 3.52Å; Y303-I342 HydrophobicContact CD2-CD1 3.6Å; Y303-I342 HydrophobicContact CE2-CD1 3.8Å; I336-I342 HydrophobicContact CG2-CD1 4.22Å; S337-I342 WeakPolarHBondContact CB-O 3.16Å; S337-I342 PolarHBondContact O-N 2.73Å; S337-I342 VanDerWaalsContact O-N 3.07Å; S337-I342 PolarHBondContact OG-O 3.25Å; H340-I342 VanDerWaalsContact C-N 3.32Å; H340-I342 HydrophobicContact CB-CD1 3.78Å; H340-I342 HydrophobicContact CB-CG1 3.82Å; H340-I342 PolarHBondContact O-N 3.46Å; I342-D346 HydrophobicContact CG2-CB 4.01Å; I342-F347 HydrophobicContact CB-CE2 4.07Å; I342-F347 HydrophobicContact CB-CZ 4.39Å; I342-F347 HydrophobicContact CG2-CD2 4.3Å; I342-F347 HydrophobicContact CG2-CE2 3.62Å; I342-F347 HydrophobicContact CG2-CZ 4.17Å | ||
| 343 | S | 93.6 | Very high | 94.1 | Very high | 66 Ų | 66 | 68.8 Ų | 68.8 | 46% | 0.462 | 37% | 0.37 | S | S | . | . | trans | -61.2 | 135.9 | 174.9 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | G345 D346 F347 | S343-G345 PolarHBondContact O-N 3.27Å; S343-G345 VanDerWaalsContact O-N 3.08Å; S343-G345 PolarHBondContact OG-N 3.4Å; S343-D346 PolarHBondContact O-N 3.39Å; S343-F347 WeakPolarHBondContact O-CD2 3.35Å | ||
| 344 | P | 90.6 | Very high | 94 | Very high | 102 Ų | 102 | 71 Ų | 71 | 66% | 0.662 | 38% | 0.381 | S | S | * | . | G | 310 helix | trans | -53.9 | -28.7 | 172.9 | -27 | 35.3 | 0 | 0 | 0 | 113.7 | D346 F347 | P344-D346 VanDerWaalsContact C-N 3.27Å; P344-D346 PolarHBondContact O-N 3.17Å; P344-F347 PolarHBondContact O-N 3.06Å |
| 345 | G | 89 | Confident | 93.9 | Very high | 68 Ų | 68 | 70.7 Ų | 70.7 | 70% | 0.701 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -70.9 | -16.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | S343 F347 | S343-G345 PolarHBondContact O-N 3.27Å; S343-G345 VanDerWaalsContact O-N 3.08Å; S343-G345 PolarHBondContact OG-N 3.4Å; G345-F347 VanDerWaalsContact C-N 3.28Å |
| 346 | D | 91.7 | Very high | 93.8 | Very high | 47 Ų | 47 | 69.4 Ų | 69.4 | 25% | 0.251 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -83.8 | -7.6 | 176.5 | -67 | -22.3 | 0 | 0 | 0 | 112.1 | V300 I342 S343 P344 | V300-D346 HydrophobicContact CG2-CB 3.99Å; I342-D346 HydrophobicContact CG2-CB 4.01Å; S343-D346 PolarHBondContact O-N 3.39Å; P344-D346 VanDerWaalsContact C-N 3.27Å; P344-D346 PolarHBondContact O-N 3.17Å |
| 347 | F | 94.1 | Very high | 93.8 | Very high | 26 Ų | 26 | 69.2 Ų | 69.2 | 11% | 0.114 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -81.5 | 140.4 | 178.6 | -71.5 | -100.6 | 0 | 0 | 0 | 111.5 | V300 Y333 I336 I342 S343 P344 G345 | V300-F347 HydrophobicContact CG1-CD1 3.46Å; V300-F347 VanDerWaalsContact CG1-CD1 3.46Å; V300-F347 HydrophobicContact CG1-CD2 4.38Å; V300-F347 HydrophobicContact CG1-CE1 3.61Å; V300-F347 HydrophobicContact CG1-CG 3.89Å; V300-F347 HydrophobicContact CG1-CZ 4.15Å; Y333-F347 AromaticContact CD1-CD1 3.79Å; Y333-F347 HydrophobicContact CD1-CD1 3.79Å; Y333-F347 HydrophobicContact CD1-CE1 4.09Å; Y333-F347 HydrophobicContact CD2-CB 3.88Å; Y333-F347 AromaticContact CD2-CD1 3.64Å; Y333-F347 HydrophobicContact CD2-CD1 3.64Å; Y333-F347 HydrophobicContact CD2-CG 4Å; Y333-F347 HydrophobicContact CE1-CD1 4.21Å; Y333-F347 HydrophobicContact CE2-CB 3.98Å; Y333-F347 HydrophobicContact CE2-CD1 4.08Å; Y333-F347 HydrophobicContact CE2-CG 4.45Å; Y333-F347 AromaticContact CG-CD1 3.48Å; Y333-F347 HydrophobicContact CG-CD1 3.48Å; Y333-F347 VanDerWaalsContact CG-CD1 3.48Å; Y333-F347 AromaticContact CG-CE1 3.93Å; Y333-F347 HydrophobicContact CG-CE1 3.93Å; Y333-F347 HydrophobicContact CG-CG 4.23Å; I336-F347 HydrophobicContact CB-CE1 4.17Å; I336-F347 HydrophobicContact CB-CZ 4.13Å; I336-F347 HydrophobicContact CG2-CE1 3.98Å; I336-F347 HydrophobicContact CG2-CZ 3.84Å; I342-F347 HydrophobicContact CB-CE2 4.07Å; I342-F347 HydrophobicContact CB-CZ 4.39Å; I342-F347 HydrophobicContact CG2-CD2 4.3Å; I342-F347 HydrophobicContact CG2-CE2 3.62Å; I342-F347 HydrophobicContact CG2-CZ 4.17Å; S343-F347 WeakPolarHBondContact O-CD2 3.35Å; P344-F347 PolarHBondContact O-N 3.06Å; G345-F347 VanDerWaalsContact C-N 3.28Å |
| 348 | P | 92.1 | Very high | 93.7 | Very high | 19 Ų | 19 | 71 Ų | 71 | 12% | 0.123 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 160.3 | 172.7 | 29.7 | -37.4 | 0 | 0 | 0 | 111.5 | L297 Y333 L350 M353 | L297-P348 HydrophobicContact CD1-CB 4.36Å; Y333-P348 WeakPolarHBondContact CE2-O 3.17Å; P348-L350 PolarHBondContact O-N 3.24Å; P348-M353 HydrophobicContact CB-CG 3.75Å; P348-M353 HydrophobicContact CB-SD 4.29Å; P348-M353 HydrophobicContact CG-CG 3.44Å; P348-M353 VanDerWaalsContact CG-CG 3.44Å; P348-M353 HydrophobicContact CG-SD 3.99Å |
| 349 | K | 91.7 | Very high | 93.6 | Very high | 166 Ų | 166 | 69.8 Ų | 69.8 | 72% | 0.722 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 129 | 177.4 | -68.3 | -179.1 | -179 | 174.5 | 0 | 110.6 | S351 H352 M353 | K349-S351 PolarHBondContact O-N 2.93Å; K349-H352 HydrophobicContact CB-CB 4.18Å; K349-H352 WeakPolarHBondContact O-CB 3.48Å; K349-H352 PolarHBondContact O-N 3.29Å; K349-M353 PolarHBondContact O-N 3.47Å; K349-M353 VanDerWaalsContact O-N 3.13Å |
| 350 | L | 94.5 | Very high | 93.5 | Very high | 50 Ų | 50 | 66 Ų | 66 | 26% | 0.262 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -55.2 | -50.4 | -175.4 | -171.9 | 77.1 | 0 | 0 | 0 | 112.5 | L329 Q330 Y333 P348 H352 M353 Q354 | L329-L350 HydrophobicContact CB-CD1 3.87Å; L329-L350 HydrophobicContact CD2-CD1 3.86Å; L329-L350 HydrophobicContact CG-CD1 3.8Å; Q330-L350 HydrophobicContact CB-CD1 4.16Å; Q330-L350 HydrophobicContact CB-CD2 4.22Å; Y333-L350 HydrophobicContact CD2-CD1 4.28Å; Y333-L350 HydrophobicContact CE2-CD1 4.02Å; P348-L350 PolarHBondContact O-N 3.24Å; L350-H352 VanDerWaalsContact C-N 3.33Å; L350-H352 PolarHBondContact O-N 3.06Å; L350-M353 PolarHBondContact O-N 3.15Å; L350-Q354 HydrophobicContact CG-CG 4.48Å; L350-Q354 WeakPolarHBondContact O-CG 3.31Å; L350-Q354 PolarHBondContact O-N 3.33Å |
| 351 | S | 93.7 | Very high | 93.5 | Very high | 86 Ų | 86 | 66.9 Ų | 66.9 | 60% | 0.601 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.3 | -40.3 | -177.7 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | K349 Q354 S355 | K349-S351 PolarHBondContact O-N 2.93Å; S351-Q354 PolarHBondContact O-N 3.34Å; S351-S355 PolarHBondContact O-N 2.84Å |
| 352 | H | 91 | Very high | 93.5 | Very high | 88 Ų | 88 | 58.4 Ų | 58.4 | 41% | 0.407 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.6 | -49.1 | 176.2 | -179.3 | 69.8 | 0 | 0 | 0 | 111.1 | F40 K349 L350 Q354 S355 I356 | F40-H352 PolarHBondContact O-NE2 2.79Å; F40-H352 VanDerWaalsContact O-NE2 3.14Å; K349-H352 HydrophobicContact CB-CB 4.18Å; K349-H352 WeakPolarHBondContact O-CB 3.48Å; K349-H352 PolarHBondContact O-N 3.29Å; L350-H352 VanDerWaalsContact C-N 3.33Å; L350-H352 PolarHBondContact O-N 3.06Å; H352-Q354 PolarHBondContact O-N 3.35Å; H352-S355 PolarHBondContact O-N 3.39Å; H352-I356 WeakPolarHBondContact CE1-CD1 3.38Å; H352-I356 WeakPolarHBondContact NE2-CD1 3.37Å; H352-I356 PolarHBondContact O-N 3.05Å; H352-I356 VanDerWaalsContact O-N 3.1Å |
| 353 | M | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 178.9 | -75.2 | -61.1 | -64.3 | 0 | 0 | 112.8 | F40 L304 L329 Y333 P348 K349 L350 S355 I356 L357 | F40-M353 HydrophobicContact CB-SD 4.43Å; F40-M353 HydrophobicContact CD1-CE 3.68Å; F40-M353 HydrophobicContact CD1-SD 3.98Å; F40-M353 HydrophobicContact CE1-CE 4.13Å; L304-M353 HydrophobicContact CD2-CE 3.56Å; L329-M353 HydrophobicContact CD2-CB 3.87Å; Y333-M353 VanDerWaalsContact OH-CB 3.32Å; Y333-M353 WeakPolarHBondContact OH-CB 3.39Å; Y333-M353 VanDerWaalsContact OH-CG 3.25Å; Y333-M353 WeakPolarHBondContact OH-CG 3.45Å; P348-M353 HydrophobicContact CB-CG 3.75Å; P348-M353 HydrophobicContact CB-SD 4.29Å; P348-M353 HydrophobicContact CG-CG 3.44Å; P348-M353 VanDerWaalsContact CG-CG 3.44Å; P348-M353 HydrophobicContact CG-SD 3.99Å; K349-M353 PolarHBondContact O-N 3.47Å; K349-M353 VanDerWaalsContact O-N 3.13Å; L350-M353 PolarHBondContact O-N 3.15Å; M353-S355 VanDerWaalsContact C-N 3.32Å; M353-S355 PolarHBondContact O-N 2.85Å; M353-I356 PolarHBondContact O-N 3.1Å; M353-L357 HydrophobicContact CB-CD1 4.42Å; M353-L357 HydrophobicContact CE-CD1 4.21Å; M353-L357 HydrophobicContact CE-CG 4.28Å; M353-L357 WeakPolarHBondContact O-CB 3.45Å; M353-L357 WeakPolarHBondContact O-CD1 3.35Å; M353-L357 WeakPolarHBondContact O-CG 3.31Å; M353-L357 PolarHBondContact O-N 2.87Å |
| 354 | Q | 96.5 | Very high | 93.3 | Very high | 56 Ų | 56 | 60.6 Ų | 60.6 | 26% | 0.262 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 175.2 | -74.1 | 178.4 | -41.8 | 0 | 0 | 111.7 | I326 L329 L350 S351 H352 S358 | I326-Q354 HydrophobicContact CG2-CB 4.01Å; I326-Q354 HydrophobicContact CG2-CG 4Å; I326-Q354 PolarHBondContact O-NE2 3.37Å; L329-Q354 HydrophobicContact CB-CG 4.36Å; L329-Q354 HydrophobicContact CD2-CG 3.69Å; L350-Q354 HydrophobicContact CG-CG 4.48Å; L350-Q354 WeakPolarHBondContact O-CG 3.31Å; L350-Q354 PolarHBondContact O-N 3.33Å; S351-Q354 PolarHBondContact O-N 3.34Å; H352-Q354 PolarHBondContact O-N 3.35Å; Q354-S358 PolarHBondContact O-N 3.41Å; Q354-S358 VanDerWaalsContact O-N 3.12Å |
| 355 | S | 95 | Very high | 93.5 | Very high | 70 Ų | 70 | 55.9 Ų | 55.9 | 49% | 0.49 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.1 | -53.1 | 177.4 | -167.7 | 0 | 0 | 0 | 0 | 111.3 | S351 H352 M353 S358 | S351-S355 PolarHBondContact O-N 2.84Å; H352-S355 PolarHBondContact O-N 3.39Å; M353-S355 VanDerWaalsContact C-N 3.32Å; M353-S355 PolarHBondContact O-N 2.85Å; S355-S358 WeakPolarHBondContact O-CB 3.16Å; S355-S358 PolarHBondContact O-N 3.28Å; S355-S358 PolarHBondContact O-OG 3.15Å |
| 356 | I | 94.6 | Very high | 93.8 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 15% | 0.149 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.6 | -44.8 | -177.4 | -62.5 | 177.1 | 0 | 0 | 0 | 111.1 | F40 H352 M353 S358 E359 Q360 | F40-I356 HydrophobicContact CD1-CB 4.14Å; F40-I356 HydrophobicContact CD1-CG2 3.45Å; F40-I356 VanDerWaalsContact CD1-CG2 3.45Å; F40-I356 HydrophobicContact CE1-CB 4.43Å; F40-I356 HydrophobicContact CE1-CG2 3.65Å; F40-I356 HydrophobicContact CG-CG2 4.15Å; F40-I356 HydrophobicContact CZ-CG2 4.47Å; F40-I356 WeakPolarHBondContact O-CD1 2.97Å; H352-I356 WeakPolarHBondContact CE1-CD1 3.38Å; H352-I356 WeakPolarHBondContact NE2-CD1 3.37Å; H352-I356 PolarHBondContact O-N 3.05Å; H352-I356 VanDerWaalsContact O-N 3.1Å; M353-I356 PolarHBondContact O-N 3.1Å; I356-S358 PolarHBondContact O-N 3.4Å; I356-E359 PolarHBondContact O-N 3.22Å; I356-Q360 HydrophobicContact CG2-CG 4.39Å; I356-Q360 WeakPolarHBondContact O-CG 3.28Å |
| 357 | L | 96.5 | Very high | 94 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -28.6 | 179 | -74.4 | 169.3 | 0 | 0 | 0 | 112.6 | F40 I305 L308 K322 I326 L329 M353 E359 Q360 F362 F365 | F40-L357 HydrophobicContact CE1-CD2 3.6Å; F40-L357 HydrophobicContact CE1-CG 4.04Å; F40-L357 HydrophobicContact CZ-CD2 4.07Å; I305-L357 HydrophobicContact CD1-CD2 4.47Å; L308-L357 HydrophobicContact CD1-CD1 4.08Å; L308-L357 HydrophobicContact CD1-CD2 3.7Å; K322-L357 VanDerWaalsContact CE-O 3.29Å; K322-L357 WeakPolarHBondContact CE-O 3.43Å; I326-L357 HydrophobicContact CD1-CB 4.21Å; I326-L357 HydrophobicContact CG1-CB 4.12Å; L329-L357 HydrophobicContact CD1-CD1 4.05Å; L329-L357 HydrophobicContact CD2-CD1 3.98Å; M353-L357 HydrophobicContact CB-CD1 4.42Å; M353-L357 HydrophobicContact CE-CD1 4.21Å; M353-L357 HydrophobicContact CE-CG 4.28Å; M353-L357 WeakPolarHBondContact O-CB 3.45Å; M353-L357 WeakPolarHBondContact O-CD1 3.35Å; M353-L357 WeakPolarHBondContact O-CG 3.31Å; M353-L357 PolarHBondContact O-N 2.87Å; L357-E359 PolarHBondContact O-N 2.94Å; L357-Q360 PolarHBondContact O-N 3.11Å; L357-F362 HydrophobicContact CB-CE1 3.93Å; L357-F362 HydrophobicContact CB-CZ 3.94Å; L357-F362 HydrophobicContact CD2-CE1 3.63Å; L357-F362 HydrophobicContact CD2-CZ 3.83Å; L357-F362 HydrophobicContact CG-CE1 4.36Å; L357-F362 HydrophobicContact CG-CZ 4.32Å; L357-F362 WeakPolarHBondContact O-CE1 3.39Å; L357-F365 HydrophobicContact CD2-CE2 4.17Å; L357-F365 HydrophobicContact CD2-CZ 4.07Å |
| 358 | S | 94.6 | Very high | 94.1 | Very high | 60 Ų | 60 | 57.3 Ų | 57.3 | 42% | 0.42 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -27.2 | 176.7 | 81 | 0 | 0 | 0 | 0 | 112.9 | K322 Q354 S355 I356 | K322-S358 WeakPolarHBondContact CE-O 3.19Å; K322-S358 PolarHBondContact NZ-O 2.95Å; Q354-S358 PolarHBondContact O-N 3.41Å; Q354-S358 VanDerWaalsContact O-N 3.12Å; S355-S358 WeakPolarHBondContact O-CB 3.16Å; S355-S358 PolarHBondContact O-N 3.28Å; S355-S358 PolarHBondContact O-OG 3.15Å; I356-S358 PolarHBondContact O-N 3.4Å |
| 359 | E | 93.8 | Very high | 94.3 | Very high | 153 Ų | 153 | 61.7 Ų | 61.7 | 72% | 0.715 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -91.4 | -11.4 | -179.1 | -60.3 | -180 | 178.8 | 0 | 0 | 113.1 | I356 L357 | I356-E359 PolarHBondContact O-N 3.22Å; L357-E359 PolarHBondContact O-N 2.94Å |
| 360 | Q | 93.6 | Very high | 94.4 | Very high | 38 Ų | 38 | 60.3 Ų | 60.3 | 18% | 0.178 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -93.9 | 148.9 | -172.9 | -61.7 | -63.6 | -30.6 | 0 | 0 | 113.1 | F40 K322 I356 L357 F365 | F40-Q360 HydrophobicContact CE1-CG 4.13Å; F40-Q360 HydrophobicContact CZ-CG 3.74Å; K322-Q360 VanDerWaalsContact CE-O 3.27Å; K322-Q360 WeakPolarHBondContact CE-O 3.32Å; K322-Q360 PolarHBondContact NZ-O 3.29Å; I356-Q360 HydrophobicContact CG2-CG 4.39Å; I356-Q360 WeakPolarHBondContact O-CG 3.28Å; L357-Q360 PolarHBondContact O-N 3.11Å; Q360-F365 HydrophobicContact CB-CE1 4.09Å; Q360-F365 HydrophobicContact CB-CZ 3.85Å |
| 361 | D | 92.6 | Very high | 94.5 | Very high | 83 Ų | 83 | 66.7 Ų | 66.7 | 44% | 0.444 | 35% | 0.351 | S | S | . | . | trans | -92.2 | 104.4 | 170.8 | -178.6 | -0.8 | 0 | 0 | 0 | 110.8 | T363 T364 | D361-T363 PolarHBondContact O-N 3.33Å; D361-T363 VanDerWaalsContact O-N 3.07Å; D361-T363 WeakPolarHBondContact OD1-CB 3.29Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.38Å; D361-T363 PolarHBondContact OD1-N 3.16Å; D361-T363 PolarHBondContact OD1-OG1 3.02Å; D361-T363 PolarHBondContact OD2-OG1 2.78Å; D361-T364 HydrophobicContact CB-CG2 4Å; D361-T364 PolarHBondContact O-N 2.9Å; D361-T364 PolarHBondContact O-OG1 3.3Å | ||
| 362 | F | 94.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 0% | 0.004 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -63.5 | -17.7 | -177.9 | -70.8 | 16.7 | 0 | 0 | 0 | 113.1 | L308 M312 K322 L325 I326 L357 T364 F365 | L308-F362 HydrophobicContact CB-CD2 4.25Å; L308-F362 HydrophobicContact CB-CE2 4.33Å; L308-F362 HydrophobicContact CD1-CE2 4.05Å; L308-F362 HydrophobicContact CD1-CZ 4.03Å; L308-F362 HydrophobicContact CD2-CE2 3.9Å; L308-F362 HydrophobicContact CG-CE2 4.32Å; M312-F362 HydrophobicContact CE-CB 3.88Å; M312-F362 HydrophobicContact CG-CB 3.65Å; M312-F362 HydrophobicContact CG-CD2 4.23Å; M312-F362 HydrophobicContact CG-CG 4.49Å; M312-F362 HydrophobicContact SD-CB 3.71Å; M312-F362 HydrophobicContact SD-CD2 3.92Å; M312-F362 HydrophobicContact SD-CG 4.3Å; K322-F362 HydrophobicContact CB-CD2 4.37Å; K322-F362 HydrophobicContact CD-CD1 4.37Å; K322-F362 HydrophobicContact CD-CE1 4.5Å; K322-F362 HydrophobicContact CG-CD1 4.31Å; K322-F362 HydrophobicContact CG-CD2 4.15Å; K322-F362 HydrophobicContact CG-CE1 4.22Å; K322-F362 HydrophobicContact CG-CE2 4.05Å; K322-F362 HydrophobicContact CG-CG 4.28Å; K322-F362 HydrophobicContact CG-CZ 4.09Å; L325-F362 HydrophobicContact CB-CE2 4.13Å; L325-F362 HydrophobicContact CD1-CD2 4.08Å; L325-F362 HydrophobicContact CD1-CE2 4.12Å; I326-F362 HydrophobicContact CD1-CZ 4.1Å; I326-F362 HydrophobicContact CG1-CE2 4.44Å; I326-F362 HydrophobicContact CG1-CZ 3.84Å; L357-F362 HydrophobicContact CB-CE1 3.93Å; L357-F362 HydrophobicContact CB-CZ 3.94Å; L357-F362 HydrophobicContact CD2-CE1 3.63Å; L357-F362 HydrophobicContact CD2-CZ 3.83Å; L357-F362 HydrophobicContact CG-CE1 4.36Å; L357-F362 HydrophobicContact CG-CZ 4.32Å; L357-F362 WeakPolarHBondContact O-CE1 3.39Å; F362-T364 VanDerWaalsContact C-N 3.26Å; F362-T364 PolarHBondContact O-N 3.08Å; F362-F365 HydrophobicContact CB-CD2 4.02Å; F362-F365 HydrophobicContact CB-CE2 4.04Å; F362-F365 HydrophobicContact CD1-CD2 4.11Å; F362-F365 AromaticContact CD1-CE2 3.25Å; F362-F365 HydrophobicContact CD1-CE2 3.25Å; F362-F365 AromaticContact CD1-CZ 3.57Å; F362-F365 HydrophobicContact CD1-CZ 3.57Å; F362-F365 HydrophobicContact CD2-CE2 4.36Å; F362-F365 AromaticContact CE1-CE2 3.72Å; F362-F365 HydrophobicContact CE1-CE2 3.72Å; F362-F365 AromaticContact CE1-CZ 3.95Å; F362-F365 HydrophobicContact CE1-CZ 3.95Å; F362-F365 HydrophobicContact CG-CD2 4.07Å; F362-F365 AromaticContact CG-CE2 3.63Å; F362-F365 HydrophobicContact CG-CE2 3.63Å; F362-F365 HydrophobicContact CG-CZ 4.34Å; F362-F365 HydrophobicContact CZ-CE2 4.44Å; F362-F365 WeakPolarHBondContact O-CB 3.47Å; F362-F365 PolarHBondContact O-N 2.89Å |
| 363 | T | 90.6 | Very high | 94.9 | Very high | 42 Ų | 42 | 59.8 Ų | 59.8 | 26% | 0.258 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -70.3 | -26.1 | 175.5 | 71.4 | 0 | 0 | 0 | 0 | 112.5 | K309 M312 K318 D361 F365 | K309-T363 PolarHBondContact NZ-O 3.18Å; M312-T363 HydrophobicContact CE-CG2 3.92Å; K318-T363 HydrophobicContact CD-CG2 3.69Å; K318-T363 HydrophobicContact CG-CG2 4.32Å; D361-T363 PolarHBondContact O-N 3.33Å; D361-T363 VanDerWaalsContact O-N 3.07Å; D361-T363 WeakPolarHBondContact OD1-CB 3.29Å; D361-T363 WeakPolarHBondContact OD1-CG2 3.38Å; D361-T363 PolarHBondContact OD1-N 3.16Å; D361-T363 PolarHBondContact OD1-OG1 3.02Å; D361-T363 PolarHBondContact OD2-OG1 2.78Å; T363-F365 VanDerWaalsContact C-N 3.28Å; T363-F365 PolarHBondContact O-N 3.35Å |
| 364 | T | 92.6 | Very high | 94.9 | Very high | 88 Ų | 88 | 65.3 Ų | 65.3 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -79.2 | -12.3 | 177.6 | 69.4 | 0 | 0 | 0 | 0 | 112.9 | D361 F362 | D361-T364 HydrophobicContact CB-CG2 4Å; D361-T364 PolarHBondContact O-N 2.9Å; D361-T364 PolarHBondContact O-OG1 3.3Å; F362-T364 VanDerWaalsContact C-N 3.26Å; F362-T364 PolarHBondContact O-N 3.08Å |
| 365 | F | 95.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 1% | 0.013 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 140.6 | -178.4 | -68.7 | -13.8 | 0 | 0 | 0 | 111.8 | L36 F40 I305 L308 K309 L357 Q360 F362 T363 | L36-F365 HydrophobicContact CD1-CD1 4.38Å; F40-F365 HydrophobicContact CZ-CE1 4.26Å; F40-F365 HydrophobicContact CZ-CZ 4.04Å; I305-F365 HydrophobicContact CD1-CD2 4.27Å; I305-F365 HydrophobicContact CD1-CE1 4.38Å; I305-F365 HydrophobicContact CD1-CE2 3.9Å; I305-F365 HydrophobicContact CD1-CZ 3.96Å; I305-F365 HydrophobicContact CG2-CB 3.75Å; I305-F365 HydrophobicContact CG2-CD1 4.19Å; I305-F365 HydrophobicContact CG2-CD2 4Å; I305-F365 HydrophobicContact CG2-CG 3.74Å; L308-F365 HydrophobicContact CB-CD2 4.2Å; L308-F365 HydrophobicContact CB-CE2 4.35Å; L308-F365 HydrophobicContact CD1-CE2 4.13Å; K309-F365 HydrophobicContact CB-CB 3.96Å; K309-F365 HydrophobicContact CD-CB 4.33Å; K309-F365 WeakPolarHBondContact CD-O 3.3Å; K309-F365 WeakPolarHBondContact CE-O 3.31Å; K309-F365 HydrophobicContact CG-CB 4.46Å; K309-F365 WeakPolarHBondContact CG-O 3.42Å; L357-F365 HydrophobicContact CD2-CE2 4.17Å; L357-F365 HydrophobicContact CD2-CZ 4.07Å; Q360-F365 HydrophobicContact CB-CE1 4.09Å; Q360-F365 HydrophobicContact CB-CZ 3.85Å; F362-F365 HydrophobicContact CB-CD2 4.02Å; F362-F365 HydrophobicContact CB-CE2 4.04Å; F362-F365 HydrophobicContact CD1-CD2 4.11Å; F362-F365 AromaticContact CD1-CE2 3.25Å; F362-F365 HydrophobicContact CD1-CE2 3.25Å; F362-F365 AromaticContact CD1-CZ 3.57Å; F362-F365 HydrophobicContact CD1-CZ 3.57Å; F362-F365 HydrophobicContact CD2-CE2 4.36Å; F362-F365 AromaticContact CE1-CE2 3.72Å; F362-F365 HydrophobicContact CE1-CE2 3.72Å; F362-F365 AromaticContact CE1-CZ 3.95Å; F362-F365 HydrophobicContact CE1-CZ 3.95Å; F362-F365 HydrophobicContact CG-CD2 4.07Å; F362-F365 AromaticContact CG-CE2 3.63Å; F362-F365 HydrophobicContact CG-CE2 3.63Å; F362-F365 HydrophobicContact CG-CZ 4.34Å; F362-F365 HydrophobicContact CZ-CE2 4.44Å; F362-F365 WeakPolarHBondContact O-CB 3.47Å; F362-F365 PolarHBondContact O-N 2.89Å; T363-F365 VanDerWaalsContact C-N 3.28Å; T363-F365 PolarHBondContact O-N 3.35Å |
| 366 | P | 94.9 | Very high | 95 | Very high | 32 Ų | 32 | 61.3 Ų | 61.3 | 21% | 0.208 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 146.8 | 176.8 | 15.2 | -7 | 0 | 0 | 0 | 111 | S34 Y35 | S34-P366 WeakPolarHBondContact O-CG 3.47Å; Y35-P366 HydrophobicContact CD1-CG 4.02Å; Y35-P366 HydrophobicContact CE1-CG 4.36Å |
| 367 | S | 95.5 | Very high | 95.1 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 55% | 0.552 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 151 | 167.7 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | K369 | S367-K369 PolarHBondContact O-N 2.93Š|
| 368 | L | 95.9 | Very high | 95 | Very high | 61 Ų | 61 | 64.5 Ų | 64.5 | 32% | 0.319 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 122.8 | 179.4 | -163.3 | 72.8 | 0 | 0 | 0 | 111.2 | Y35 A302 Y303 I373 | Y35-L368 HydrophobicContact CE1-CD1 4.31Å; Y35-L368 WeakPolarHBondContact OH-CA 3.48Å; A302-L368 WeakPolarHBondContact O-CD1 3.41Å; Y303-L368 HydrophobicContact CD1-CD1 4.16Å; Y303-L368 HydrophobicContact CD1-CD2 4.02Å; Y303-L368 HydrophobicContact CE1-CD2 4.25Å; L368-I373 HydrophobicContact CD1-CD1 3.6Å; L368-I373 HydrophobicContact CD2-CD1 4.23Å; L368-I373 HydrophobicContact CG-CD1 3.97Å |
| 369 | K | 96.5 | Very high | 95 | Very high | 111 Ų | 111 | 61.6 Ų | 61.6 | 48% | 0.483 | 31% | 0.309 | S | S | . | . | trans | -102.5 | 95.2 | 173 | -61.1 | 177.6 | -174.7 | 173.1 | 0 | 109.2 | Y35 S367 R371 L372 | Y35-K369 PolarHBondContact OH-N 2.83Å; S367-K369 PolarHBondContact O-N 2.93Å; K369-R371 PolarHBondContact O-N 3.5Å; K369-L372 HydrophobicContact CB-CD1 4.16Å; K369-L372 HydrophobicContact CB-CG 4.22Å; K369-L372 HydrophobicContact CD-CD1 3.9Å; K369-L372 PolarHBondContact O-N 3.1Å; K369-L372 VanDerWaalsContact O-N 3.08Å | ||
| 370 | E | 94.8 | Very high | 95.1 | Very high | 137 Ų | 137 | 55.9 Ų | 55.9 | 64% | 0.64 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -54 | -39.9 | -177.8 | -66.6 | 179.6 | 173.1 | 0 | 0 | 112.5 | L372 I373 E374 | E370-L372 VanDerWaalsContact C-N 3.27Å; E370-L372 PolarHBondContact O-N 3.32Å; E370-L372 VanDerWaalsContact O-N 3.16Å; E370-I373 WeakPolarHBondContact O-CA 3.16Å; E370-I373 WeakPolarHBondContact O-CB 3.44Å; E370-I373 PolarHBondContact O-N 2.82Å; E370-E374 WeakPolarHBondContact O-CG 3.19Å; E370-E374 PolarHBondContact O-N 3.39Å |
| 371 | R | 96.2 | Very high | 95.2 | Very high | 184 Ų | 184 | 58.5 Ų | 58.5 | 69% | 0.694 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -53.8 | -37.1 | 177.4 | -177.4 | 176.9 | 175.1 | 160.3 | 1.3 | 114.3 | K369 I373 Q375 | K369-R371 PolarHBondContact O-N 3.5Å; R371-I373 VanDerWaalsContact C-N 3.33Å; R371-Q375 VanDerWaalsContact O-CG 3.29Å; R371-Q375 WeakPolarHBondContact O-CG 3.44Å; R371-Q375 PolarHBondContact O-N 3.26Å |
| 372 | L | 96.6 | Very high | 95.2 | Very high | 24 Ų | 24 | 59.8 Ų | 59.8 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.1 | -32.9 | 179 | -68.2 | 179.3 | 0 | 0 | 0 | 111.3 | P30 L31 S34 Y35 K369 E370 V376 | P30-L372 HydrophobicContact CB-CD2 4.2Å; L31-L372 HydrophobicContact CD1-CB 3.63Å; S34-L372 WeakPolarHBondContact OG-CD1 3.45Å; Y35-L372 HydrophobicContact CE2-CD1 4.4Å; K369-L372 HydrophobicContact CB-CD1 4.16Å; K369-L372 HydrophobicContact CB-CG 4.22Å; K369-L372 HydrophobicContact CD-CD1 3.9Å; K369-L372 PolarHBondContact O-N 3.1Å; K369-L372 VanDerWaalsContact O-N 3.08Å; E370-L372 VanDerWaalsContact C-N 3.27Å; E370-L372 PolarHBondContact O-N 3.32Å; E370-L372 VanDerWaalsContact O-N 3.16Å; L372-V376 PolarHBondContact O-N 3.09Å |
| 373 | I | 96.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -71.7 | -45.2 | 177.1 | -63.9 | 164.5 | 0 | 0 | 0 | 110.1 | L31 Y303 L368 E370 R371 Q375 V376 D377 | L31-I373 HydrophobicContact CD1-CG1 4.13Å; Y303-I373 HydrophobicContact CD1-CD1 3.92Å; Y303-I373 HydrophobicContact CE1-CD1 3.48Å; Y303-I373 VanDerWaalsContact CE1-CD1 3.48Å; Y303-I373 HydrophobicContact CE2-CG2 4.41Å; Y303-I373 WeakPolarHBondContact OH-CG2 3.18Å; L368-I373 HydrophobicContact CD1-CD1 3.6Å; L368-I373 HydrophobicContact CD2-CD1 4.23Å; L368-I373 HydrophobicContact CG-CD1 3.97Å; E370-I373 WeakPolarHBondContact O-CA 3.16Å; E370-I373 WeakPolarHBondContact O-CB 3.44Å; E370-I373 PolarHBondContact O-N 2.82Å; R371-I373 VanDerWaalsContact C-N 3.33Å; I373-Q375 PolarHBondContact O-N 3.22Å; I373-V376 PolarHBondContact O-N 3.24Å; I373-D377 PolarHBondContact O-N 3.32Å |
| 374 | E | 96 | Very high | 95.3 | Very high | 115 Ų | 115 | 58.9 Ų | 58.9 | 54% | 0.537 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -55 | -38.1 | 174.9 | -70 | 173.9 | 171 | 0 | 0 | 112 | E370 V376 D377 V378 | E370-E374 WeakPolarHBondContact O-CG 3.19Å; E370-E374 PolarHBondContact O-N 3.39Å; E374-V376 VanDerWaalsContact C-N 3.34Å; E374-V376 PolarHBondContact O-N 3.03Å; E374-D377 PolarHBondContact O-N 3.03Å; E374-V378 WeakPolarHBondContact O-CG2 3.46Å; E374-V378 PolarHBondContact O-N 2.86Å |
| 375 | Q | 96.2 | Very high | 95.3 | Very high | 42 Ų | 42 | 57 Ų | 57 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 175.8 | -76.3 | 175.1 | -13.7 | 0 | 0 | 112.8 | R371 I373 M379 | R371-Q375 VanDerWaalsContact O-CG 3.29Å; R371-Q375 WeakPolarHBondContact O-CG 3.44Å; R371-Q375 PolarHBondContact O-N 3.26Å; I373-Q375 PolarHBondContact O-N 3.22Å; Q375-M379 PolarHBondContact O-N 2.91Å; Q375-M379 VanDerWaalsContact O-N 3.07Å |
| 376 | V | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -73.5 | -33 | 175.8 | -179.9 | 0 | 0 | 0 | 0 | 111 | R27 L28 L31 A295 K299 L372 I373 E374 M379 L380 | R27-V376 WeakPolarHBondContact O-CG2 3.46Å; L28-V376 HydrophobicContact CD1-CG1 4.46Å; L28-V376 HydrophobicContact CD1-CG2 4.24Å; L31-V376 HydrophobicContact CB-CG2 4.3Å; L31-V376 HydrophobicContact CD2-CG2 3.86Å; A295-V376 HydrophobicContact CB-CG1 3.99Å; K299-V376 HydrophobicContact CD-CB 4.39Å; K299-V376 HydrophobicContact CD-CG1 3.89Å; K299-V376 HydrophobicContact CG-CB 4.27Å; K299-V376 HydrophobicContact CG-CG1 3.84Å; L372-V376 PolarHBondContact O-N 3.09Å; I373-V376 PolarHBondContact O-N 3.24Å; E374-V376 VanDerWaalsContact C-N 3.34Å; E374-V376 PolarHBondContact O-N 3.03Å; V376-M379 HydrophobicContact CG1-CE 4.09Å; V376-M379 WeakPolarHBondContact O-CB 2.93Å; V376-M379 PolarHBondContact O-N 3.05Å; V376-L380 HydrophobicContact CG1-CD1 3.98Å; V376-L380 HydrophobicContact CG1-CG 4.4Å; V376-L380 VanDerWaalsContact O-CG 3.32Å; V376-L380 WeakPolarHBondContact O-CG 2.98Å; V376-L380 PolarHBondContact O-N 3.17Å |
| 377 | D | 96.4 | Very high | 95 | Very high | 50 Ų | 50 | 61.6 Ų | 61.6 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 173.1 | -77.7 | -35.7 | 0 | 0 | 0 | 112.6 | K299 I373 E374 M379 L380 T381 | K299-D377 VanDerWaalsContact CE-OD1 3.22Å; K299-D377 WeakPolarHBondContact CE-OD1 3.28Å; K299-D377 IonicContact NZ-OD1 3.98Å; K299-D377 PolarHBondContact NZ-OD1 3.02Å; K299-D377 IonicContact NZ-OD2 2.58Å; I373-D377 PolarHBondContact O-N 3.32Å; E374-D377 PolarHBondContact O-N 3.03Å; D377-M379 VanDerWaalsContact C-N 3.3Å; D377-M379 PolarHBondContact O-N 3.09Å; D377-L380 PolarHBondContact O-N 2.87Å; D377-T381 WeakPolarHBondContact O-CB 3.28Å; D377-T381 WeakPolarHBondContact O-CG2 3.07Å; D377-T381 PolarHBondContact O-N 3.2Å; D377-T381 PolarHBondContact O-OG1 3.05Å |
| 378 | V | 95.4 | Very high | 94.7 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 28% | 0.279 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -43.1 | 172.5 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | E374 L380 T381 Q382 E383 | E374-V378 WeakPolarHBondContact O-CG2 3.46Å; E374-V378 PolarHBondContact O-N 2.86Å; V378-L380 PolarHBondContact O-N 3.46Å; V378-T381 PolarHBondContact O-N 3.1Å; V378-Q382 WeakPolarHBondContact O-CB 3.4Å; V378-Q382 PolarHBondContact O-N 3.35Å; V378-E383 HydrophobicContact CG1-CG 4.47Å; V378-E383 PolarHBondContact O-N 2.85Å |
| 379 | M | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | I | π-helix | trans | -57.1 | -49.2 | 176.3 | -174.3 | -168.5 | 75.6 | 0 | 0 | 111.2 | L23 R27 L28 A295 Q375 V376 D377 E383 I384 | L23-M379 HydrophobicContact CB-CG 4.19Å; L23-M379 HydrophobicContact CB-SD 4.1Å; L23-M379 HydrophobicContact CD1-CG 4.08Å; L23-M379 HydrophobicContact CD2-CG 4.47Å; L23-M379 HydrophobicContact CG-CG 4.49Å; R27-M379 HydrophobicContact CB-CB 4.07Å; R27-M379 HydrophobicContact CB-CG 4.21Å; R27-M379 HydrophobicContact CB-SD 3.76Å; R27-M379 HydrophobicContact CG-CB 4.09Å; R27-M379 HydrophobicContact CG-CG 4.27Å; R27-M379 HydrophobicContact CG-SD 4.37Å; L28-M379 HydrophobicContact CB-SD 4.42Å; A295-M379 HydrophobicContact CB-CE 3.57Å; Q375-M379 PolarHBondContact O-N 2.91Å; Q375-M379 VanDerWaalsContact O-N 3.07Å; V376-M379 HydrophobicContact CG1-CE 4.09Å; V376-M379 WeakPolarHBondContact O-CB 2.93Å; V376-M379 PolarHBondContact O-N 3.05Å; D377-M379 VanDerWaalsContact C-N 3.3Å; D377-M379 PolarHBondContact O-N 3.09Å; M379-E383 VanDerWaalsContact CA-OE2 3.31Å; M379-E383 WeakPolarHBondContact CA-OE2 3.39Å; M379-E383 PolarHBondContact O-N 2.79Å; M379-I384 HydrophobicContact CE-CD1 4.35Å; M379-I384 HydrophobicContact CG-CG1 4.4Å; M379-I384 WeakPolarHBondContact O-CB 3.18Å; M379-I384 WeakPolarHBondContact O-CG1 3.19Å; M379-I384 PolarHBondContact O-N 3.48Å |
| 380 | L | 95.1 | Very high | 94.1 | Very high | 33 Ų | 33 | 62.9 Ų | 62.9 | 17% | 0.173 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -71.1 | -36.2 | -177.3 | -69.9 | 166 | 0 | 0 | 0 | 113.4 | I292 A295 K299 V376 D377 V378 I384 | I292-L380 HydrophobicContact CB-CD2 4.37Å; I292-L380 HydrophobicContact CG1-CD2 4.22Å; I292-L380 HydrophobicContact CG2-CD2 4.12Å; A295-L380 HydrophobicContact CB-CD1 4.27Å; A295-L380 HydrophobicContact CB-CD2 3.92Å; A295-L380 HydrophobicContact CB-CG 4.35Å; K299-L380 HydrophobicContact CD-CD1 4.11Å; V376-L380 HydrophobicContact CG1-CD1 3.98Å; V376-L380 HydrophobicContact CG1-CG 4.4Å; V376-L380 VanDerWaalsContact O-CG 3.32Å; V376-L380 WeakPolarHBondContact O-CG 2.98Å; V376-L380 PolarHBondContact O-N 3.17Å; D377-L380 PolarHBondContact O-N 2.87Å; V378-L380 PolarHBondContact O-N 3.46Å; L380-I384 HydrophobicContact CD2-CD1 4.03Å |
| 381 | T | 95.2 | Very high | 93.7 | Very high | 92 Ų | 92 | 56.5 Ų | 56.5 | 56% | 0.564 | 27% | 0.273 | S | S | * | . | I | π-helix | trans | -93.8 | -24.7 | -172.1 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | D377 V378 | D377-T381 WeakPolarHBondContact O-CB 3.28Å; D377-T381 WeakPolarHBondContact O-CG2 3.07Å; D377-T381 PolarHBondContact O-N 3.2Å; D377-T381 PolarHBondContact O-OG1 3.05Å; V378-T381 PolarHBondContact O-N 3.1Å |
| 382 | Q | 93.9 | Very high | 93.3 | Very high | 111 Ų | 111 | 51.1 Ų | 51.1 | 52% | 0.519 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -123.4 | -47.6 | -174.1 | -56.9 | -179.2 | 13 | 0 | 0 | 113 | V378 K386 | V378-Q382 WeakPolarHBondContact O-CB 3.4Å; V378-Q382 PolarHBondContact O-N 3.35Å; Q382-K386 WeakPolarHBondContact O-CG 3.4Å |
| 383 | E | 93.6 | Very high | 92.8 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 9% | 0.089 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -80.8 | -42.6 | -171 | -58.3 | 174.8 | 142.5 | 0 | 0 | 111.9 | L23 R27 V378 M379 K386 L387 | L23-E383 HydrophobicContact CD1-CB 3.85Å; L23-E383 HydrophobicContact CD2-CB 3.85Å; L23-E383 HydrophobicContact CD2-CG 4.21Å; L23-E383 VanDerWaalsContact CD2-OE2 3.29Å; L23-E383 WeakPolarHBondContact CD2-OE2 3.34Å; R27-E383 IonicContact CZ-OE1 3.24Å; R27-E383 IonicContact CZ-OE2 2.97Å; R27-E383 IonicContact NE-OE1 3.58Å; R27-E383 PolarHBondContact NE-OE1 3.4Å; R27-E383 IonicContact NE-OE2 2.9Å; R27-E383 PolarHBondContact NE-OE2 2.93Å; R27-E383 IonicContact NH2-OE1 3.64Å; R27-E383 PolarHBondContact NH2-OE1 2.97Å; R27-E383 IonicContact NH2-OE2 3.1Å; V378-E383 HydrophobicContact CG1-CG 4.47Å; V378-E383 PolarHBondContact O-N 2.85Å; M379-E383 VanDerWaalsContact CA-OE2 3.31Å; M379-E383 WeakPolarHBondContact CA-OE2 3.39Å; M379-E383 PolarHBondContact O-N 2.79Å; E383-K386 WeakPolarHBondContact O-CB 3.37Å; E383-K386 PolarHBondContact O-N 3.39Å; E383-L387 PolarHBondContact O-N 2.93Å |
| 384 | I | 92.8 | Very high | 92.2 | Very high | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 176.6 | -76.5 | -171.6 | 0 | 0 | 0 | 112.8 | L23 L288 I292 M379 L380 K386 L387 M388 | L23-I384 HydrophobicContact CD1-CG1 4.36Å; L288-I384 HydrophobicContact CD1-CG2 4.25Å; L288-I384 HydrophobicContact CD2-CG2 3.97Å; L288-I384 HydrophobicContact CG-CG2 4.18Å; I292-I384 HydrophobicContact CD1-CD1 4.47Å; I292-I384 HydrophobicContact CD1-CG2 3.93Å; I292-I384 HydrophobicContact CG1-CD1 3.62Å; I292-I384 HydrophobicContact CG1-CG2 4.19Å; M379-I384 HydrophobicContact CE-CD1 4.35Å; M379-I384 HydrophobicContact CG-CG1 4.4Å; M379-I384 WeakPolarHBondContact O-CB 3.18Å; M379-I384 WeakPolarHBondContact O-CG1 3.19Å; M379-I384 PolarHBondContact O-N 3.48Å; L380-I384 HydrophobicContact CD2-CD1 4.03Å; I384-K386 PolarHBondContact O-N 2.88Å; I384-L387 WeakPolarHBondContact O-CB 3.15Å; I384-L387 PolarHBondContact O-N 3.35Å; I384-M388 HydrophobicContact CG2-CG 4.4Å; I384-M388 HydrophobicContact CG2-SD 4.32Å; I384-M388 WeakPolarHBondContact O-CG 3.48Å; I384-M388 PolarHBondContact O-N 2.91Å |
| 385 | P | 93.2 | Very high | 91.6 | Very high | 48 Ų | 48 | 55.4 Ų | 55.4 | 31% | 0.312 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.1 | -34 | 175.1 | -30.1 | 37.7 | 0 | 0 | 0 | 113.8 | M388 Q389 | P385-M388 PolarHBondContact O-N 2.74Å; P385-Q389 WeakPolarHBondContact O-CG 3.48Å; P385-Q389 PolarHBondContact O-N 2.75Å |
| 386 | K | 91.6 | Very high | 91 | Very high | 128 Ų | 128 | 56.6 Ų | 56.6 | 56% | 0.557 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -66.2 | -43.3 | 173.8 | -68.9 | 175 | -178.8 | -175.4 | 0 | 111.6 | Q382 E383 I384 M388 Q389 | Q382-K386 WeakPolarHBondContact O-CG 3.4Å; E383-K386 WeakPolarHBondContact O-CB 3.37Å; E383-K386 PolarHBondContact O-N 3.39Å; I384-K386 PolarHBondContact O-N 2.88Å; K386-M388 VanDerWaalsContact C-N 3.31Å; K386-M388 PolarHBondContact O-N 3.07Å; K386-Q389 WeakPolarHBondContact O-CB 3.38Å; K386-Q389 PolarHBondContact O-N 3.06Å |
| 387 | L | 90.9 | Very high | 90.3 | Very high | 5 Ų | 5 | 58.3 Ų | 58.3 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 174.1 | -67 | -177.8 | 0 | 0 | 0 | 112.2 | F13 L20 L23 L288 E383 I384 Q389 M390 | F13-L387 HydrophobicContact CD2-CD2 4.06Å; L20-L387 HydrophobicContact CD2-CD1 3.88Å; L20-L387 HydrophobicContact CG-CD1 4.14Å; L23-L387 HydrophobicContact CD1-CD1 3.49Å; L23-L387 VanDerWaalsContact CD1-CD1 3.49Å; L23-L387 HydrophobicContact CD1-CG 4.35Å; L23-L387 HydrophobicContact CG-CD1 4.41Å; L288-L387 HydrophobicContact CD1-CB 4.19Å; E383-L387 PolarHBondContact O-N 2.93Å; I384-L387 WeakPolarHBondContact O-CB 3.15Å; I384-L387 PolarHBondContact O-N 3.35Å; L387-Q389 PolarHBondContact O-N 2.66Å; L387-M390 HydrophobicContact CD2-SD 4.01Å; L387-M390 WeakPolarHBondContact O-CB 3.34Å; L387-M390 PolarHBondContact O-N 3.1Å; L387-M390 VanDerWaalsContact O-N 3.1Å |
| 388 | M | 90.2 | Very high | 89.6 | Confident | 82 Ų | 82 | 57 Ų | 57 | 40% | 0.404 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60 | -35 | 176.3 | -69.6 | 178.7 | 65.2 | 0 | 0 | 112.6 | M285 L288 I384 P385 K386 M390 I391 P392 | M285-M388 HydrophobicContact CE-CE 4.49Å; L288-M388 HydrophobicContact CD1-CG 3.55Å; L288-M388 HydrophobicContact CD2-CG 3.87Å; L288-M388 HydrophobicContact CD2-SD 4.19Å; L288-M388 HydrophobicContact CG-CG 4.39Å; I384-M388 HydrophobicContact CG2-CG 4.4Å; I384-M388 HydrophobicContact CG2-SD 4.32Å; I384-M388 WeakPolarHBondContact O-CG 3.48Å; I384-M388 PolarHBondContact O-N 2.91Å; P385-M388 PolarHBondContact O-N 2.74Å; K386-M388 VanDerWaalsContact C-N 3.31Å; K386-M388 PolarHBondContact O-N 3.07Å; M388-M390 VanDerWaalsContact C-N 3.26Å; M388-M390 PolarHBondContact O-N 3.17Å; M388-I391 PolarHBondContact O-N 2.89Å; M388-P392 WeakPolarHBondContact O-CD 3.41Å |
| 389 | Q | 89.9 | Confident | 88.8 | Confident | 143 Ų | 143 | 58.6 Ų | 58.6 | 67% | 0.668 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.9 | -24.2 | 177.7 | -67.6 | 171 | 9.1 | 0 | 0 | 113 | P385 K386 L387 | P385-Q389 WeakPolarHBondContact O-CG 3.48Å; P385-Q389 PolarHBondContact O-N 2.75Å; K386-Q389 WeakPolarHBondContact O-CB 3.38Å; K386-Q389 PolarHBondContact O-N 3.06Å; L387-Q389 PolarHBondContact O-N 2.66Å |
| 390 | M | 88.8 | Confident | 88 | Confident | 53 Ų | 53 | 66.8 Ų | 66.8 | 26% | 0.261 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -76.4 | -24.8 | 176.6 | -63.3 | 174.2 | 64 | 0 | 0 | 112.5 | V16 L387 M388 I393 E394 | V16-M390 HydrophobicContact CG2-CB 3.69Å; L387-M390 HydrophobicContact CD2-SD 4.01Å; L387-M390 WeakPolarHBondContact O-CB 3.34Å; L387-M390 PolarHBondContact O-N 3.1Å; L387-M390 VanDerWaalsContact O-N 3.1Å; M388-M390 VanDerWaalsContact C-N 3.26Å; M388-M390 PolarHBondContact O-N 3.17Å; M390-I393 WeakPolarHBondContact O-CB 3.47Å; M390-I393 PolarHBondContact O-N 3.01Å; M390-I393 VanDerWaalsContact O-N 3.15Å; M390-E394 PolarHBondContact O-N 2.86Å |
| 391 | I | 87.5 | Confident | 87.2 | Confident | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.015 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.8 | -48.7 | -171.9 | -68.3 | 172.6 | 0 | 0 | 0 | 113 | V16 A284 M285 L288 M388 I393 E394 Q395 | V16-I391 HydrophobicContact CB-CG1 4.4Å; V16-I391 HydrophobicContact CG1-CD1 4.2Å; V16-I391 HydrophobicContact CG1-CG1 4.02Å; V16-I391 HydrophobicContact CG2-CG1 3.65Å; A284-I391 HydrophobicContact CB-CD1 4.39Å; A284-I391 HydrophobicContact CB-CG1 4.28Å; M285-I391 HydrophobicContact CG-CD1 4.05Å; M285-I391 HydrophobicContact CG-CG2 3.84Å; M285-I391 HydrophobicContact SD-CB 4.22Å; M285-I391 HydrophobicContact SD-CD1 3.24Å; M285-I391 WeakPolarHBondContact SD-CD1 3.44Å; M285-I391 HydrophobicContact SD-CG1 4.28Å; M285-I391 HydrophobicContact SD-CG2 3.84Å; L288-I391 HydrophobicContact CD1-CD1 4Å; M388-I391 PolarHBondContact O-N 2.89Å; I391-I393 PolarHBondContact O-N 3.48Å; I391-E394 PolarHBondContact O-N 3.39Å; I391-Q395 HydrophobicContact CG2-CG 4.2Å; I391-Q395 WeakPolarHBondContact O-CB 3.25Å; I391-Q395 VanDerWaalsContact O-CG 3.3Å; I391-Q395 WeakPolarHBondContact O-CG 3.29Å; I391-Q395 PolarHBondContact O-N 3.36Å |
| 392 | P | 86.7 | Confident | 86.1 | Confident | 71 Ų | 71 | 68.6 Ų | 68.6 | 46% | 0.461 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.7 | -32.2 | 176.8 | -24.9 | 35.2 | 0 | 0 | 0 | 113.2 | M388 S396 | M388-P392 WeakPolarHBondContact O-CD 3.41Å; P392-S396 WeakPolarHBondContact O-CB 3.46Å; P392-S396 PolarHBondContact O-N 3.17Å; P392-S396 PolarHBondContact O-OG 3.13Å |
| 393 | I | 86.3 | Confident | 85.1 | Confident | 121 Ų | 121 | 67 Ų | 67 | 62% | 0.621 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -68.9 | -48.4 | 177.9 | -56.2 | 173.4 | 0 | 0 | 0 | 109.7 | M390 I391 Q395 S396 A397 | M390-I393 WeakPolarHBondContact O-CB 3.47Å; M390-I393 PolarHBondContact O-N 3.01Å; M390-I393 VanDerWaalsContact O-N 3.15Å; I391-I393 PolarHBondContact O-N 3.48Å; I393-Q395 PolarHBondContact O-N 3.36Å; I393-S396 PolarHBondContact O-N 2.8Å; I393-A397 PolarHBondContact O-N 3.49Å |
| 394 | E | 83.9 | Confident | 84.1 | Confident | 54 Ų | 54 | 66.1 Ų | 66.1 | 25% | 0.252 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 175.8 | -74.8 | -173.8 | -175.6 | 0 | 0 | 112.5 | S15 V16 M390 I391 S396 A397 A398 | S15-E394 VanDerWaalsContact C-OE1 3.27Å; S15-E394 WeakPolarHBondContact CA-OE1 3.28Å; V16-E394 WeakPolarHBondContact CG2-OE1 3.38Å; V16-E394 WeakPolarHBondContact CG2-OE2 3.45Å; V16-E394 PolarHBondContact N-OE1 3.4Å; M390-E394 PolarHBondContact O-N 2.86Å; I391-E394 PolarHBondContact O-N 3.39Å; E394-S396 VanDerWaalsContact C-N 3.33Å; E394-S396 PolarHBondContact O-N 3.18Å; E394-A397 PolarHBondContact O-N 2.9Å; E394-A398 VanDerWaalsContact O-CB 3.26Å; E394-A398 WeakPolarHBondContact O-CB 3.35Å; E394-A398 PolarHBondContact O-N 3.21Å |
| 395 | Q | 83.7 | Confident | 83.5 | Confident | 58 Ų | 58 | 70.4 Ų | 70.4 | 27% | 0.271 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 175.3 | -75.2 | 176.1 | -16.3 | 0 | 0 | 111.1 | S281 I391 I393 A398 V399 | S281-Q395 PolarHBondContact O-NE2 2.93Å; I391-Q395 HydrophobicContact CG2-CG 4.2Å; I391-Q395 WeakPolarHBondContact O-CB 3.25Å; I391-Q395 VanDerWaalsContact O-CG 3.3Å; I391-Q395 WeakPolarHBondContact O-CG 3.29Å; I391-Q395 PolarHBondContact O-N 3.36Å; I393-Q395 PolarHBondContact O-N 3.36Å; Q395-A398 PolarHBondContact O-N 3.37Å; Q395-V399 VanDerWaalsContact O-CG2 3.29Å; Q395-V399 WeakPolarHBondContact O-CG2 3.17Å; Q395-V399 PolarHBondContact O-N 2.64Å |
| 396 | S | 83.7 | Confident | 83.1 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 48% | 0.476 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 177.3 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | P392 I393 E394 V399 Q400 | P392-S396 WeakPolarHBondContact O-CB 3.46Å; P392-S396 PolarHBondContact O-N 3.17Å; P392-S396 PolarHBondContact O-OG 3.13Å; I393-S396 PolarHBondContact O-N 2.8Å; E394-S396 VanDerWaalsContact C-N 3.33Å; E394-S396 PolarHBondContact O-N 3.18Å; S396-V399 PolarHBondContact O-N 3.24Å; S396-Q400 WeakPolarHBondContact O-CG 3.37Å; S396-Q400 PolarHBondContact O-N 3.07Å |
| 397 | A | 83.1 | Confident | 82.7 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 30% | 0.298 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | I393 E394 V399 Q400 Q401 | I393-A397 PolarHBondContact O-N 3.49Å; E394-A397 PolarHBondContact O-N 2.9Å; A397-V399 VanDerWaalsContact C-N 3.33Å; A397-V399 PolarHBondContact O-N 2.82Å; A397-Q400 PolarHBondContact O-N 3.12Å; A397-Q401 WeakPolarHBondContact O-CG 3.42Å; A397-Q401 PolarHBondContact O-N 3.34Å |
| 398 | A | 80.5 | Confident | 82.5 | Confident | 21 Ų | 21 | 67.7 Ų | 67.7 | 17% | 0.174 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.4 | -31.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E394 Q395 G402 T403 S404 | E394-A398 VanDerWaalsContact O-CB 3.26Å; E394-A398 WeakPolarHBondContact O-CB 3.35Å; E394-A398 PolarHBondContact O-N 3.21Å; Q395-A398 PolarHBondContact O-N 3.37Å; A398-G402 CarbonylContact O-C 3.55Å; A398-G402 PolarHBondContact O-N 2.9Å; A398-T403 WeakPolarHBondContact CA-OG1 3.29Å; A398-T403 PolarHBondContact O-N 3.05Å; A398-T403 PolarHBondContact O-OG1 2.94Å; A398-S404 PolarHBondContact O-N 2.93Å; A398-S404 VanDerWaalsContact O-N 3.08Å; A398-S404 PolarHBondContact O-OG 3.08Å |
| 399 | V | 79.9 | Confident | 82.5 | Confident | 81 Ų | 81 | 65 Ų | 65 | 49% | 0.491 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65 | -47 | 169.5 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | Q395 S396 A397 Q401 G402 S404 F405 | Q395-V399 VanDerWaalsContact O-CG2 3.29Å; Q395-V399 WeakPolarHBondContact O-CG2 3.17Å; Q395-V399 PolarHBondContact O-N 2.64Å; S396-V399 PolarHBondContact O-N 3.24Å; A397-V399 VanDerWaalsContact C-N 3.33Å; A397-V399 PolarHBondContact O-N 2.82Å; V399-Q401 VanDerWaalsContact C-N 3.32Å; V399-Q401 PolarHBondContact O-N 2.68Å; V399-G402 PolarHBondContact O-N 2.71Å; V399-S404 VanDerWaalsContact CA-OG 3.28Å; V399-S404 WeakPolarHBondContact CA-OG 3.48Å; V399-S404 VanDerWaalsContact CG2-OG 3.32Å; V399-S404 WeakPolarHBondContact CG2-OG 3.44Å; V399-S404 PolarHBondContact N-OG 3.23Å; V399-F405 HydrophobicContact CG2-CE2 4.17Å |
| 400 | Q | 77.1 | Confident | 82.4 | Confident | 171 Ų | 171 | 58.6 Ų | 58.6 | 80% | 0.799 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.9 | -36.3 | 178.4 | -69.2 | 172.8 | 2.2 | 0 | 0 | 113 | S396 A397 G402 | S396-Q400 WeakPolarHBondContact O-CG 3.37Å; S396-Q400 PolarHBondContact O-N 3.07Å; A397-Q400 PolarHBondContact O-N 3.12Å; Q400-G402 VanDerWaalsContact C-N 3.29Å |
| 401 | Q | 77.9 | Confident | 82.3 | Confident | 142 Ų | 142 | 56.2 Ų | 56.2 | 66% | 0.664 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -6.6 | 175.5 | -65.5 | 174.1 | 5.1 | 0 | 0 | 113.1 | A397 V399 T403 | A397-Q401 WeakPolarHBondContact O-CG 3.42Å; A397-Q401 PolarHBondContact O-N 3.34Å; V399-Q401 VanDerWaalsContact C-N 3.32Å; V399-Q401 PolarHBondContact O-N 2.68Å; Q401-T403 VanDerWaalsContact C-N 3.28Å; Q401-T403 HydrophobicContact CB-CG2 4.28Å; Q401-T403 PolarHBondContact O-N 3Å |
| 402 | G | 73.3 | Confident | 81.9 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 22% | 0.216 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 26.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A398 V399 Q400 K407 | A398-G402 CarbonylContact O-C 3.55Å; A398-G402 PolarHBondContact O-N 2.9Å; V399-G402 PolarHBondContact O-N 2.71Å; Q400-G402 VanDerWaalsContact C-N 3.29Å; G402-K407 WeakPolarHBondContact O-CE 3.22Å; G402-K407 PolarHBondContact O-NZ 3.24Å |
| 403 | T | 73 | Confident | 80.7 | Confident | 77 Ų | 77 | 64 Ų | 64 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | trans | -100.5 | -7.8 | 177.8 | 53.9 | 0 | 0 | 0 | 0 | 112.9 | A398 Q401 F405 | A398-T403 WeakPolarHBondContact CA-OG1 3.29Å; A398-T403 PolarHBondContact O-N 3.05Å; A398-T403 PolarHBondContact O-OG1 2.94Å; Q401-T403 VanDerWaalsContact C-N 3.28Å; Q401-T403 HydrophobicContact CB-CG2 4.28Å; Q401-T403 PolarHBondContact O-N 3Å; T403-F405 VanDerWaalsContact C-N 3.26Å; T403-F405 PolarHBondContact O-N 3.14Å | ||
| 404 | S | 73.1 | Confident | 79.2 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -70.7 | -16.8 | 179.9 | 52.5 | 0 | 0 | 0 | 0 | 114.8 | S281 A398 V399 | S281-S404 PolarHBondContact N-O 2.75Å; A398-S404 PolarHBondContact O-N 2.93Å; A398-S404 VanDerWaalsContact O-N 3.08Å; A398-S404 PolarHBondContact O-OG 3.08Å; V399-S404 VanDerWaalsContact CA-OG 3.28Å; V399-S404 WeakPolarHBondContact CA-OG 3.48Å; V399-S404 VanDerWaalsContact CG2-OG 3.32Å; V399-S404 WeakPolarHBondContact CG2-OG 3.44Å; V399-S404 PolarHBondContact N-OG 3.23Å |
| 405 | F | 79.4 | Confident | 77.5 | Confident | 94 Ų | 94 | 59.8 Ų | 59.8 | 41% | 0.412 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -128.4 | 149.1 | -173.6 | -62.6 | -65.3 | 0 | 0 | 0 | 111.2 | R277 V399 T403 K407 | R277-F405 HydrophobicContact CG-CB 3.75Å; R277-F405 HydrophobicContact CG-CD1 3.97Å; R277-F405 HydrophobicContact CG-CG 4.26Å; V399-F405 HydrophobicContact CG2-CE2 4.17Å; T403-F405 VanDerWaalsContact C-N 3.26Å; T403-F405 PolarHBondContact O-N 3.14Å; F405-K407 PolarHBondContact O-N 2.72Å |
| 406 | I | 85.2 | Confident | 75.6 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | trans | -62.7 | 131 | 169.7 | -55.8 | 177.7 | 0 | 0 | 0 | 109.2 | V139 I143 L276 R277 P280 F411 | V139-I406 HydrophobicContact CB-CG2 4.16Å; V139-I406 HydrophobicContact CG1-CG2 3.82Å; V139-I406 HydrophobicContact CG2-CG2 4.19Å; I143-I406 HydrophobicContact CB-CD1 4.49Å; I143-I406 HydrophobicContact CD1-CD1 3.74Å; I143-I406 HydrophobicContact CG1-CD1 4.03Å; I143-I406 HydrophobicContact CG2-CD1 3.65Å; I143-I406 HydrophobicContact CG2-CG1 4Å; L276-I406 WeakPolarHBondContact O-CD1 3.37Å; R277-I406 HydrophobicContact CG-CB 4.19Å; P280-I406 HydrophobicContact CG-CG1 4.03Å; I406-F411 HydrophobicContact CB-CD1 4.38Å; I406-F411 HydrophobicContact CB-CD2 4.42Å; I406-F411 HydrophobicContact CB-CG 4.24Å; I406-F411 HydrophobicContact CD1-CE1 4.14Å; I406-F411 HydrophobicContact CD1-CZ 4.05Å; I406-F411 HydrophobicContact CG2-CB 4.39Å; I406-F411 HydrophobicContact CG2-CD1 4.32Å; I406-F411 HydrophobicContact CG2-CD2 3.52Å; I406-F411 HydrophobicContact CG2-CE2 3.78Å; I406-F411 HydrophobicContact CG2-CG 3.81Å; I406-F411 HydrophobicContact CG2-CZ 4.28Å | ||
| 407 | K | 83.4 | Confident | 73.5 | Confident | 110 Ų | 110 | 65 Ų | 65 | 48% | 0.478 | 36% | 0.358 | S | S | . | . | trans | -112.8 | 152 | 176.6 | -72.7 | 173.8 | 163.8 | 168.5 | 0 | 110.5 | P138 V139 G402 F405 | P138-K407 CarbonylContact C-O 3.51Å; P138-K407 WeakPolarHBondContact CB-O 3.32Å; V139-K407 WeakPolarHBondContact CA-O 3.31Å; V139-K407 WeakPolarHBondContact CG2-O 3.49Å; V139-K407 PolarHBondContact N-O 3.14Å; V139-K407 VanDerWaalsContact N-O 3.13Å; G402-K407 WeakPolarHBondContact O-CE 3.22Å; G402-K407 PolarHBondContact O-NZ 3.24Å; F405-K407 PolarHBondContact O-N 2.72Å | ||
| 408 | G | 86.8 | Confident | 71.6 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 8% | 0.082 | 36% | 0.364 | C | S | . | . | S | Bend | trans | 81.8 | 178.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V139 F411 N412 | V139-G408 WeakPolarHBondContact CG2-O 3.42Å; G408-F411 WeakPolarHBondContact O-CB 3.24Å; G408-F411 PolarHBondContact O-N 2.71Å; G408-N412 WeakPolarHBondContact CA-OD1 3.17Å; G408-N412 PolarHBondContact N-OD1 2.49Å |
| 409 | G | 88.7 | Confident | 69.8 | Low | 25 Ų | 25 | 70.1 Ų | 70.1 | 26% | 0.258 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | 55.2 | -144.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L73 F411 N412 | L73-G409 WeakPolarHBondContact O-CA 3.4Å; G409-F411 PolarHBondContact O-N 3.33Å; G409-F411 VanDerWaalsContact O-N 3.07Å; G409-N412 PolarHBondContact O-N 2.92Å |
| 410 | A | 88.4 | Confident | 68.3 | Low | 9 Ų | 9 | 75 Ų | 75 | 7% | 0.074 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -65.2 | -9.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y72 L73 F273 S414 | Y72-A410 HydrophobicContact CD1-CB 4.23Å; Y72-A410 HydrophobicContact CE1-CB 3.77Å; L73-A410 PolarHBondContact O-N 3.39Å; L73-A410 VanDerWaalsContact O-N 3.07Å; F273-A410 HydrophobicContact CE2-CB 4.11Å; F273-A410 HydrophobicContact CZ-CB 4.35Å; A410-S414 PolarHBondContact O-OG 3.26Å |
| 411 | F | 87 | Confident | 66.9 | Low | 3 Ų | 3 | 68.7 Ų | 68.7 | 1% | 0.013 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -81.1 | -15.3 | -178.7 | -59.5 | -84.9 | 0 | 0 | 0 | 113.4 | L73 V139 F273 L276 R277 I406 G408 G409 S414 | L73-F411 HydrophobicContact CB-CE2 4.4Å; L73-F411 HydrophobicContact CD2-CE2 4.16Å; L73-F411 HydrophobicContact CD2-CZ 3.92Å; V139-F411 HydrophobicContact CG1-CD2 4.25Å; V139-F411 HydrophobicContact CG1-CE2 3.75Å; V139-F411 HydrophobicContact CG2-CD2 3.84Å; V139-F411 HydrophobicContact CG2-CE2 4.13Å; F273-F411 HydrophobicContact CB-CD1 3.96Å; F273-F411 HydrophobicContact CB-CE1 4.05Å; F273-F411 HydrophobicContact CD1-CE1 4.31Å; F273-F411 HydrophobicContact CG-CD1 4.42Å; F273-F411 HydrophobicContact CG-CE1 4.35Å; L276-F411 HydrophobicContact CB-CE1 3.86Å; L276-F411 HydrophobicContact CB-CZ 4.21Å; L276-F411 HydrophobicContact CD1-CZ 4.34Å; R277-F411 HydrophobicContact CB-CD1 4.29Å; R277-F411 PolarHBondContact NH2-O 3.13Å; I406-F411 HydrophobicContact CB-CD1 4.38Å; I406-F411 HydrophobicContact CB-CD2 4.42Å; I406-F411 HydrophobicContact CB-CG 4.24Å; I406-F411 HydrophobicContact CD1-CE1 4.14Å; I406-F411 HydrophobicContact CD1-CZ 4.05Å; I406-F411 HydrophobicContact CG2-CB 4.39Å; I406-F411 HydrophobicContact CG2-CD1 4.32Å; I406-F411 HydrophobicContact CG2-CD2 3.52Å; I406-F411 HydrophobicContact CG2-CE2 3.78Å; I406-F411 HydrophobicContact CG2-CG 3.81Å; I406-F411 HydrophobicContact CG2-CZ 4.28Å; G408-F411 WeakPolarHBondContact O-CB 3.24Å; G408-F411 PolarHBondContact O-N 2.71Å; G409-F411 PolarHBondContact O-N 3.33Å; G409-F411 VanDerWaalsContact O-N 3.07Å; F411-S414 WeakPolarHBondContact CA-OG 3.37Å; F411-S414 PolarHBondContact O-OG 3.06Å; F411-S414 VanDerWaalsContact O-OG 3.12Å |
| 412 | N | 78.8 | Confident | 65.3 | Low | 99 Ų | 99 | 64.5 Ų | 64.5 | 53% | 0.529 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -73.9 | -39.1 | 176.7 | -74.4 | -5.5 | 0 | 0 | 0 | 112.1 | G408 G409 S414 | G408-N412 WeakPolarHBondContact CA-OD1 3.17Å; G408-N412 PolarHBondContact N-OD1 2.49Å; G409-N412 PolarHBondContact O-N 2.92Å; N412-S414 VanDerWaalsContact C-N 3.27Å; N412-S414 PolarHBondContact O-N 2.88Å |
| 413 | D | 61.9 | Low | 63.8 | Low | 140 Ų | 140 | 65.3 Ų | 65.3 | 75% | 0.749 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -10.1 | -174 | -60.2 | -22.3 | 0 | 0 | 0 | 113.4 | V415 | D413-V415 VanDerWaalsContact C-N 3.27Å; D413-V415 PolarHBondContact O-N 3.43Å |
| 414 | S | 55.2 | Low | 62.4 | Low | 18 Ų | 18 | 63.4 Ų | 63.4 | 13% | 0.126 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 12.4 | -179.4 | 34.4 | 0 | 0 | 0 | 0 | 113.5 | R277 A410 F411 N412 | R277-S414 PolarHBondContact NH2-OG 2.78Å; A410-S414 PolarHBondContact O-OG 3.26Å; F411-S414 WeakPolarHBondContact CA-OG 3.37Å; F411-S414 PolarHBondContact O-OG 3.06Å; F411-S414 VanDerWaalsContact O-OG 3.12Å; N412-S414 VanDerWaalsContact C-N 3.27Å; N412-S414 PolarHBondContact O-N 2.88Å |
| 415 | V | 47.4 | Very low | 60.9 | Low | 68 Ų | 68 | 68.2 Ų | 68.2 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -99.3 | 139.1 | 160.5 | -175.7 | 0 | 0 | 0 | 0 | 106.4 | D413 D417 | D413-V415 VanDerWaalsContact C-N 3.27Å; D413-V415 PolarHBondContact O-N 3.43Å; V415-D417 PolarHBondContact O-N 2.62Å |
| 416 | I | 42.7 | Very low | 59.1 | Low | 97 Ų | 97 | 67.6 Ų | 67.6 | 50% | 0.497 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -66.6 | 54.1 | -177.4 | -56.4 | 158.8 | 0 | 0 | 0 | 110.5 | D423 | I416-D423 HydrophobicContact CG2-CB 3.84Š|
| 417 | D | 41.1 | Very low | 57.1 | Low | 138 Ų | 138 | 70.7 Ų | 70.7 | 74% | 0.738 | 41% | 0.409 | S | S | * | . | trans | -125.1 | 13.5 | -177 | -87.9 | -19 | 0 | 0 | 0 | 111.6 | V415 P419 | V415-D417 PolarHBondContact O-N 2.62Å; D417-P419 WeakPolarHBondContact O-CD 3.29Å | ||
| 418 | S | 41.7 | Very low | 55.2 | Low | 61 Ų | 61 | 70.7 Ų | 70.7 | 43% | 0.427 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -69.3 | 124.3 | 155.3 | 155.2 | 0 | 0 | 0 | 0 | 107.3 | F420 T421 | S418-F420 PolarHBondContact O-N 2.96Å; S418-T421 VanDerWaalsContact CB-CG2 3.49Å; S418-T421 PolarHBondContact O-N 3.37Å |
| 419 | P | 43.4 | Very low | 53.1 | Low | 104 Ų | 104 | 73.3 Ų | 73.3 | 68% | 0.675 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 3.6 | -176.2 | 22.2 | -29.9 | 0 | 0 | 0 | 114.1 | D417 | D417-P419 WeakPolarHBondContact O-CD 3.29Š|
| 420 | F | 49.7 | Very low | 51 | Low | 184 Ų | 184 | 80.9 Ų | 80.9 | 81% | 0.807 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.6 | 23.2 | -176.4 | -55.9 | -73.2 | 0 | 0 | 0 | 113.5 | S418 | S418-F420 PolarHBondContact O-N 2.96Š|
| 421 | T | 46.4 | Very low | 48.6 | Very low | 37 Ų | 37 | 83.5 Ų | 83.5 | 23% | 0.227 | 47% | 0.473 | C | S | . | . | trans | -70.1 | 148.2 | 179.7 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | S418 D423 A424 | S418-T421 VanDerWaalsContact CB-CG2 3.49Å; S418-T421 PolarHBondContact O-N 3.37Å; T421-D423 PolarHBondContact O-N 2.87Å; T421-D423 VanDerWaalsContact O-N 3.09Å; T421-A424 WeakPolarHBondContact O-CA 3.36Å; T421-A424 WeakPolarHBondContact O-CB 3.41Å; T421-A424 PolarHBondContact O-N 3.25Å | ||
| 422 | A | 43.5 | Very low | 46.4 | Very low | 55 Ų | 55 | 91.5 Ų | 91.5 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.1 | -20.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D425 M426 | A422-D425 WeakPolarHBondContact O-CB 3.44Å; A422-D425 PolarHBondContact O-N 3.25Å; A422-M426 PolarHBondContact O-N 3.29Å |
| 423 | D | 43.3 | Very low | 44.7 | Very low | 37 Ų | 37 | 94.4 Ų | 94.4 | 20% | 0.198 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -76.5 | -22.3 | 171.6 | -80.6 | -33.2 | 0 | 0 | 0 | 113.3 | I416 T421 D425 M426 A427 | I416-D423 HydrophobicContact CG2-CB 3.84Å; T421-D423 PolarHBondContact O-N 2.87Å; T421-D423 VanDerWaalsContact O-N 3.09Å; D423-D425 VanDerWaalsContact C-N 3.3Å; D423-M426 CarbonylContact O-C 3.48Å; D423-M426 PolarHBondContact O-N 3.26Å; D423-A427 WeakPolarHBondContact O-CB 3.36Å; D423-A427 PolarHBondContact O-N 3.16Å |
| 424 | A | 43.1 | Very low | 43.6 | Very low | 37 Ų | 37 | 92.1 Ų | 92.1 | 31% | 0.306 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | T421 M426 A427 I428 | T421-A424 WeakPolarHBondContact O-CA 3.36Å; T421-A424 WeakPolarHBondContact O-CB 3.41Å; T421-A424 PolarHBondContact O-N 3.25Å; A424-M426 VanDerWaalsContact C-N 3.34Å; A424-A427 PolarHBondContact O-N 3.1Å; A424-I428 WeakPolarHBondContact O-CB 3.49Å; A424-I428 WeakPolarHBondContact O-CD1 3.24Å; A424-I428 WeakPolarHBondContact O-CG1 3.15Å; A424-I428 PolarHBondContact O-N 2.82Å |
| 425 | D | 41.6 | Very low | 42.8 | Very low | 103 Ų | 103 | 96.3 Ų | 96.3 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.9 | -33.8 | 171.1 | -85.2 | -17.3 | 0 | 0 | 0 | 112 | A422 D423 N429 | A422-D425 WeakPolarHBondContact O-CB 3.44Å; A422-D425 PolarHBondContact O-N 3.25Å; D423-D425 VanDerWaalsContact C-N 3.3Å; D425-N429 WeakPolarHBondContact O-CB 3.31Å; D425-N429 PolarHBondContact O-N 3.4Å; D425-N429 PolarHBondContact O-ND2 3.38Å |
| 426 | M | 42.5 | Very low | 42.3 | Very low | 82 Ų | 82 | 102.9 Ų | 102.9 | 40% | 0.404 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -74.8 | -31.3 | 173 | -73 | -157.3 | -174.3 | 0 | 0 | 113.8 | A422 D423 A424 N429 R430 | A422-M426 PolarHBondContact O-N 3.29Å; D423-M426 CarbonylContact O-C 3.48Å; D423-M426 PolarHBondContact O-N 3.26Å; A424-M426 VanDerWaalsContact C-N 3.34Å; M426-N429 CarbonylContact O-C 3.29Å; M426-N429 PolarHBondContact O-N 2.93Å; M426-R430 WeakPolarHBondContact O-CA 3.36Å; M426-R430 WeakPolarHBondContact O-CB 3.33Å; M426-R430 WeakPolarHBondContact O-CG 3.48Å; M426-R430 PolarHBondContact O-N 3.49Å |
| 427 | A | 42.5 | Very low | 42 | Very low | 70 Ų | 70 | 103.1 Ų | 103.1 | 58% | 0.579 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -71.4 | -38.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D423 A424 N429 | D423-A427 WeakPolarHBondContact O-CB 3.36Å; D423-A427 PolarHBondContact O-N 3.16Å; A424-A427 PolarHBondContact O-N 3.1Å; A427-N429 VanDerWaalsContact C-N 3.33Å |
| 428 | I | 43.4 | Very low | 42 | Very low | 110 Ų | 110 | 100.6 Ų | 100.6 | 56% | 0.564 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.8 | -36.4 | 171.5 | -67.5 | 166.2 | 0 | 0 | 0 | 110.7 | A424 | A424-I428 WeakPolarHBondContact O-CB 3.49Å; A424-I428 WeakPolarHBondContact O-CD1 3.24Å; A424-I428 WeakPolarHBondContact O-CG1 3.15Å; A424-I428 PolarHBondContact O-N 2.82Å |
| 429 | N | 42.1 | Very low | 42 | Very low | 63 Ų | 63 | 101.6 Ų | 101.6 | 34% | 0.337 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -85.2 | -24.8 | 178.5 | -73.1 | -48.3 | 0 | 0 | 0 | 114.5 | D425 M426 A427 G431 R432 Y433 | D425-N429 WeakPolarHBondContact O-CB 3.31Å; D425-N429 PolarHBondContact O-N 3.4Å; D425-N429 PolarHBondContact O-ND2 3.38Å; M426-N429 CarbonylContact O-C 3.29Å; M426-N429 PolarHBondContact O-N 2.93Å; A427-N429 VanDerWaalsContact C-N 3.33Å; N429-G431 VanDerWaalsContact C-N 3.3Å; N429-G431 PolarHBondContact O-N 3.02Å; N429-R432 WeakPolarHBondContact O-CA 3.34Å; N429-R432 WeakPolarHBondContact O-CB 3.49Å; N429-R432 PolarHBondContact O-N 3.3Å; N429-Y433 WeakPolarHBondContact O-CD2 3.33Å; N429-Y433 PolarHBondContact O-N 3.41Å |
| 430 | R | 44.6 | Very low | 41.9 | Very low | 184 Ų | 184 | 105.4 Ų | 105.4 | 69% | 0.694 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -69.6 | -26 | 178 | -85.2 | 174.5 | -177.1 | 162.8 | 6.4 | 112.8 | M426 R432 | M426-R430 WeakPolarHBondContact O-CA 3.36Å; M426-R430 WeakPolarHBondContact O-CB 3.33Å; M426-R430 WeakPolarHBondContact O-CG 3.48Å; M426-R430 PolarHBondContact O-N 3.49Å; R430-R432 VanDerWaalsContact C-N 3.27Å |
| 431 | G | 39.4 | Very low | 41.7 | Very low | 63 Ų | 63 | 103 Ų | 103 | 65% | 0.649 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -6.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N429 | N429-G431 VanDerWaalsContact C-N 3.3Å; N429-G431 PolarHBondContact O-N 3.02Å |
| 432 | R | 40.1 | Very low | 41.9 | Very low | 172 Ų | 172 | 105.3 Ų | 105.3 | 65% | 0.649 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | -8 | -176.1 | -135 | 177.1 | -171.5 | 171.2 | 2.2 | 113.9 | N429 R430 L439 | N429-R432 WeakPolarHBondContact O-CA 3.34Å; N429-R432 WeakPolarHBondContact O-CB 3.49Å; N429-R432 PolarHBondContact O-N 3.3Å; R430-R432 VanDerWaalsContact C-N 3.27Å; R432-L439 VanDerWaalsContact O-CD1 3.23Å; R432-L439 WeakPolarHBondContact O-CD1 3.13Å |
| 433 | Y | 43 | Very low | 42.1 | Very low | 159 Ų | 159 | 110.4 Ų | 110.4 | 62% | 0.624 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -121.6 | 15.5 | -178.1 | -76.2 | -79 | 0 | 0 | 0 | 113.8 | N429 | N429-Y433 WeakPolarHBondContact O-CD2 3.33Å; N429-Y433 PolarHBondContact O-N 3.41Å |
| 434 | S | 38.7 | Very low | 42.5 | Very low | 92 Ų | 92 | 113.4 Ų | 113.4 | 64% | 0.643 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -85.5 | -1.3 | 175.9 | 55.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 435 | D | 38.6 | Very low | 42.9 | Very low | 107 Ų | 107 | 116.3 Ų | 116.3 | 57% | 0.572 | 60% | 0.598 | S | S | * | * | trans | -116.9 | 85 | 166 | -80.4 | -35 | 0 | 0 | 0 | 110.1 | S437 | D435-S437 PolarHBondContact O-N 3.2Š| ||
| 436 | K | 35.8 | Very low | 43.4 | Very low | 205 Ų | 205 | 117 Ų | 117 | 89% | 0.891 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 70.6 | 160.1 | -81.7 | -173.9 | 172.6 | -177.7 | 0 | 109.1 | ||
| 437 | S | 37.3 | Very low | 44 | Very low | 103 Ų | 103 | 118.9 Ų | 118.9 | 72% | 0.72 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.4 | 4.7 | 158.4 | 58.8 | 0 | 0 | 0 | 0 | 114.5 | D435 | D435-S437 PolarHBondContact O-N 3.2Š|
| 438 | T | 40.6 | Very low | 44.7 | Very low | 85 Ų | 85 | 122.3 Ų | 122.3 | 52% | 0.521 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -142.3 | 11.9 | -170.3 | 24 | 0 | 0 | 0 | 0 | 116.3 | ||
| 439 | L | 42.5 | Very low | 45.3 | Very low | 81 Ų | 81 | 123.6 Ų | 123.6 | 42% | 0.424 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -118.1 | 7.5 | -171.9 | -75.9 | 159.2 | 0 | 0 | 0 | 115.8 | R432 | R432-L439 VanDerWaalsContact O-CD1 3.23Å; R432-L439 WeakPolarHBondContact O-CD1 3.13Å |
| 440 | E | 41.8 | Very low | 45.8 | Very low | 185 Ų | 185 | 125.3 Ų | 125.3 | 86% | 0.864 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -91.6 | -14.7 | 170 | -76.2 | -176.8 | 161.3 | 0 | 0 | 113.3 | ||
| 441 | D | 45.1 | Very low | 46.1 | Very low | 133 Ų | 133 | 118.7 Ų | 118.7 | 71% | 0.711 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -86.6 | -21.4 | 178.4 | -69.7 | -35.8 | 0 | 0 | 0 | 113.9 | E445 | D441-E445 PolarHBondContact O-N 2.91Š|
| 442 | D | 50.6 | Low | 46.6 | Very low | 86 Ų | 86 | 118.5 Ų | 118.5 | 46% | 0.46 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -82.1 | -21.4 | -172.6 | -85.1 | -13.4 | 0 | 0 | 0 | 114.7 | L446 | D442-L446 PolarHBondContact O-N 3.4Å |
| 443 | K | 48 | Very low | 47.2 | Very low | 161 Ų | 161 | 114.2 Ų | 114.2 | 70% | 0.7 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -77.9 | -33.4 | 176.1 | -83.9 | -173.9 | 175.5 | 178.6 | 0 | 112.7 | E445 I447 | K443-E445 VanDerWaalsContact C-N 3.35Å; K443-I447 PolarHBondContact O-N 3.36Å |
| 444 | D | 50.9 | Low | 47.5 | Very low | 101 Ų | 101 | 111.6 Ų | 111.6 | 54% | 0.54 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -75.8 | -26.7 | 174.1 | -83.1 | -5 | 0 | 0 | 0 | 111.6 | K448 | D444-K448 VanDerWaalsContact O-CB 3.23Å; D444-K448 WeakPolarHBondContact O-CB 3.42Å; D444-K448 WeakPolarHBondContact O-CG 3.34Å; D444-K448 PolarHBondContact O-N 3.11Å |
| 445 | E | 52.8 | Low | 48 | Very low | 98 Ų | 98 | 110.3 Ų | 110.3 | 46% | 0.458 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -76.6 | -32.2 | 176.2 | -129 | -158 | -168.9 | 0 | 0 | 113.6 | D441 K443 K448 K449 | D441-E445 PolarHBondContact O-N 2.91Å; K443-E445 VanDerWaalsContact C-N 3.35Å; E445-K448 PolarHBondContact O-N 2.84Å; E445-K449 VanDerWaalsContact O-CB 3.3Å; E445-K449 WeakPolarHBondContact O-CB 3.42Å; E445-K449 PolarHBondContact O-N 3.27Å; E445-K449 IonicContact OE1-NZ 3Å; E445-K449 IonicContact OE2-NZ 3.37Å; E445-K449 PolarHBondContact OE2-NZ 2.94Å |
| 446 | L | 51.2 | Low | 48.6 | Very low | 117 Ų | 117 | 109.3 Ų | 109.3 | 61% | 0.613 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73.9 | -31.7 | 176.9 | -96.1 | 146.6 | 0 | 0 | 0 | 113.2 | D442 | D442-L446 PolarHBondContact O-N 3.4Å |
| 447 | I | 54.9 | Low | 49.3 | Very low | 121 Ų | 121 | 104.6 Ų | 104.6 | 62% | 0.621 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -77.1 | -37.4 | 171.7 | -62.1 | 175 | 0 | 0 | 0 | 109.8 | K443 N450 S451 | K443-I447 PolarHBondContact O-N 3.36Å; I447-N450 PolarHBondContact O-N 3.37Å; I447-S451 WeakPolarHBondContact O-CB 3.26Å; I447-S451 PolarHBondContact O-N 3.17Å; I447-S451 PolarHBondContact O-OG 3.28Å |
| 448 | K | 56.9 | Low | 50 | Low | 142 Ų | 142 | 102 Ų | 102 | 62% | 0.617 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.1 | -35.2 | 176.7 | -77.2 | 174.1 | -178.1 | 167.6 | 0 | 114.5 | D444 E445 N450 S451 G452 | D444-K448 VanDerWaalsContact O-CB 3.23Å; D444-K448 WeakPolarHBondContact O-CB 3.42Å; D444-K448 WeakPolarHBondContact O-CG 3.34Å; D444-K448 PolarHBondContact O-N 3.11Å; E445-K448 PolarHBondContact O-N 2.84Å; K448-N450 VanDerWaalsContact C-N 3.35Å; K448-S451 VanDerWaalsContact CA-OG 3.29Å; K448-S451 WeakPolarHBondContact CA-OG 3.21Å; K448-S451 PolarHBondContact O-OG 3.2Å; K448-G452 PolarHBondContact O-N 3.35Å |
| 449 | K | 56.6 | Low | 50.5 | Low | 138 Ų | 138 | 104.3 Ų | 104.3 | 60% | 0.6 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70.4 | -28.8 | 176.4 | -90.1 | 169.4 | 177 | 152.1 | 0 | 113.1 | E445 | E445-K449 VanDerWaalsContact O-CB 3.3Å; E445-K449 WeakPolarHBondContact O-CB 3.42Å; E445-K449 PolarHBondContact O-N 3.27Å; E445-K449 IonicContact OE1-NZ 3Å; E445-K449 IonicContact OE2-NZ 3.37Å; E445-K449 PolarHBondContact OE2-NZ 2.94Å |
| 450 | N | 51.7 | Low | 50.9 | Low | 98 Ų | 98 | 107.3 Ų | 107.3 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -94.2 | -25.8 | 174.8 | -77.9 | -25.9 | 0 | 0 | 0 | 113.4 | I447 K448 G452 S453 I454 | I447-N450 PolarHBondContact O-N 3.37Å; K448-N450 VanDerWaalsContact C-N 3.35Å; N450-G452 VanDerWaalsContact C-N 3.25Å; N450-G452 PolarHBondContact O-N 3.34Å; N450-S453 PolarHBondContact O-N 2.7Å; N450-I454 HydrophobicContact CB-CD1 4.23Å; N450-I454 WeakPolarHBondContact O-CB 3.16Å; N450-I454 WeakPolarHBondContact O-CD1 3.36Å; N450-I454 WeakPolarHBondContact O-CG1 3.32Å; N450-I454 PolarHBondContact O-N 2.69Å |
| 451 | S | 51.2 | Low | 51 | Low | 46 Ų | 46 | 105.4 Ų | 105.4 | 32% | 0.322 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.3 | -25.6 | 175.3 | 64.1 | 0 | 0 | 0 | 0 | 112.4 | I447 K448 S453 C455 | I447-S451 WeakPolarHBondContact O-CB 3.26Å; I447-S451 PolarHBondContact O-N 3.17Å; I447-S451 PolarHBondContact O-OG 3.28Å; K448-S451 VanDerWaalsContact CA-OG 3.29Å; K448-S451 WeakPolarHBondContact CA-OG 3.21Å; K448-S451 PolarHBondContact O-OG 3.2Å; S451-S453 VanDerWaalsContact C-N 3.33Å; S451-S453 PolarHBondContact O-N 3.02Å; S451-C455 WeakPolarHBondContact O-CB 2.99Å; S451-C455 PolarHBondContact O-N 3.03Å; S451-C455 PolarHBondContact O-SG 3.26Å |
| 452 | G | 50.4 | Low | 50.9 | Low | 59 Ų | 59 | 105.3 Ų | 105.3 | 61% | 0.608 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.2 | -26.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | K448 N450 | K448-G452 PolarHBondContact O-N 3.35Å; N450-G452 VanDerWaalsContact C-N 3.25Å; N450-G452 PolarHBondContact O-N 3.34Å |
| 453 | S | 52.7 | Low | 50.6 | Low | 81 Ų | 81 | 106.9 Ų | 106.9 | 57% | 0.566 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -96.7 | -23.9 | 176.6 | -170.6 | 0 | 0 | 0 | 0 | 112.4 | N450 S451 S456 | N450-S453 PolarHBondContact O-N 2.7Å; S451-S453 VanDerWaalsContact C-N 3.33Å; S451-S453 PolarHBondContact O-N 3.02Å; S453-S456 PolarHBondContact O-OG 3.03Å |
| 454 | I | 49.9 | Very low | 50.3 | Low | 105 Ų | 105 | 104.2 Ų | 104.2 | 54% | 0.538 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -85.2 | -25.7 | 176.5 | -62.9 | 166.6 | 0 | 0 | 0 | 111.5 | N450 S456 T457 A458 | N450-I454 HydrophobicContact CB-CD1 4.23Å; N450-I454 WeakPolarHBondContact O-CB 3.16Å; N450-I454 WeakPolarHBondContact O-CD1 3.36Å; N450-I454 WeakPolarHBondContact O-CG1 3.32Å; N450-I454 PolarHBondContact O-N 2.69Å; I454-S456 VanDerWaalsContact C-N 3.31Å; I454-S456 PolarHBondContact O-N 3.14Å; I454-T457 PolarHBondContact O-N 2.69Å; I454-A458 WeakPolarHBondContact O-CB 3.45Å; I454-A458 PolarHBondContact O-N 2.63Å |
| 455 | C | 49.6 | Very low | 50 | Low | 65 Ų | 65 | 108.4 Ų | 108.4 | 44% | 0.439 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.7 | -22.1 | 175.5 | -76.9 | 0 | 0 | 0 | 0 | 113.8 | S451 T457 N459 | S451-C455 WeakPolarHBondContact O-CB 2.99Å; S451-C455 PolarHBondContact O-N 3.03Å; S451-C455 PolarHBondContact O-SG 3.26Å; C455-T457 VanDerWaalsContact C-N 3.29Å; C455-T457 PolarHBondContact O-N 2.88Å; C455-N459 WeakPolarHBondContact O-CB 3.48Å; C455-N459 PolarHBondContact O-N 3.33Å; C455-N459 PolarHBondContact O-ND2 3.4Å |
| 456 | S | 50.7 | Low | 49.4 | Very low | 86 Ų | 86 | 108.9 Ų | 108.9 | 60% | 0.601 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -77.4 | -12.9 | 174.4 | 46 | 0 | 0 | 0 | 0 | 114 | S453 I454 | S453-S456 PolarHBondContact O-OG 3.03Å; I454-S456 VanDerWaalsContact C-N 3.31Å; I454-S456 PolarHBondContact O-N 3.14Å |
| 457 | T | 50.9 | Low | 48.9 | Very low | 105 Ų | 105 | 114.8 Ų | 114.8 | 64% | 0.644 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -111.4 | -15.1 | 175.3 | 17.1 | 0 | 0 | 0 | 0 | 112.9 | I454 C455 | I454-T457 PolarHBondContact O-N 2.69Å; C455-T457 VanDerWaalsContact C-N 3.29Å; C455-T457 PolarHBondContact O-N 2.88Å |
| 458 | A | 50.9 | Low | 48.3 | Very low | 50 Ų | 50 | 114.2 Ų | 114.2 | 41% | 0.413 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -88.9 | -19.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I454 D460 L461 | I454-A458 WeakPolarHBondContact O-CB 3.45Å; I454-A458 PolarHBondContact O-N 2.63Å; A458-D460 VanDerWaalsContact C-N 3.27Å; A458-D460 PolarHBondContact O-N 3.44Å; A458-L461 PolarHBondContact O-N 3.49Å |
| 459 | N | 51.2 | Low | 48 | Very low | 133 Ų | 133 | 115 Ų | 115 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -1.6 | 178.4 | -81 | -13.4 | 0 | 0 | 0 | 114.8 | C455 L461 | C455-N459 WeakPolarHBondContact O-CB 3.48Å; C455-N459 PolarHBondContact O-N 3.33Å; C455-N459 PolarHBondContact O-ND2 3.4Å; N459-L461 VanDerWaalsContact C-N 3.28Å |
| 460 | D | 50.8 | Low | 47.5 | Very low | 144 Ų | 144 | 114.5 Ų | 114.5 | 77% | 0.77 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | 6.8 | 170.3 | -75 | -28.5 | 0 | 0 | 0 | 113.1 | A458 | A458-D460 VanDerWaalsContact C-N 3.27Å; A458-D460 PolarHBondContact O-N 3.44Å |
| 461 | L | 45.1 | Very low | 47.4 | Very low | 144 Ų | 144 | 115.7 Ų | 115.7 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | trans | -109.3 | 83.2 | 173.3 | -71.3 | 166 | 0 | 0 | 0 | 109.4 | A458 N459 P463 | A458-L461 PolarHBondContact O-N 3.49Å; N459-L461 VanDerWaalsContact C-N 3.28Å; L461-P463 VanDerWaalsContact O-CD 3.22Å; L461-P463 WeakPolarHBondContact O-CD 3.3Å | ||
| 462 | D | 43.1 | Very low | 47.6 | Very low | 131 Ų | 131 | 124.9 Ų | 124.9 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | trans | -70.5 | 115 | 175.4 | -162.4 | -1.3 | 0 | 0 | 0 | 110.5 | C464 | D462-C464 PolarHBondContact OD1-SG 3.27Å; D462-C464 VanDerWaalsContact OD1-SG 3.33Å | ||
| 463 | P | 43.6 | Very low | 47.4 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | -101.7 | 77.9 | 172.2 | 30 | -11.8 | 0 | 0 | 0 | 109.1 | L461 | L461-P463 VanDerWaalsContact O-CD 3.22Å; L461-P463 WeakPolarHBondContact O-CD 3.3Å | ||
| 464 | C | 41.6 | Very low | 47.1 | Very low | 104 Ų | 104 | 130.6 Ų | 130.6 | 70% | 0.703 | 73% | 0.733 | S | S | * | * | trans | -105.9 | 97.2 | 170.9 | -80.2 | 0 | 0 | 0 | 0 | 111.5 | D462 | D462-C464 PolarHBondContact OD1-SG 3.27Å; D462-C464 VanDerWaalsContact OD1-SG 3.33Å | ||
| 465 | H | 44.2 | Very low | 47 | Very low | 189 Ų | 189 | 132.1 Ų | 132.1 | 88% | 0.875 | 74% | 0.744 | S | S | * | * | trans | 33.8 | 154.2 | 142.2 | -87.5 | -46.1 | 0 | 0 | 0 | 123.7 | ||||
| 466 | P | 41 | Very low | 46.8 | Very low | 109 Ų | 109 | 136 Ų | 136 | 71% | 0.708 | 76% | 0.762 | S | S | * | * | trans | -98.4 | 158.8 | -145 | 39.7 | -35.3 | 0 | 0 | 0 | 114 | ||||
| 467 | R | 41 | Very low | 46.6 | Very low | 240 Ų | 240 | 139.1 Ų | 139.1 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | trans | -129.5 | 114.7 | 159.2 | -79.1 | -174 | 176.8 | -178.2 | -0 | 110.5 | ||||
| 468 | S | 42 | Very low | 46.3 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -59.7 | 132.9 | 158.3 | 50.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 469 | I | 49 | Very low | 46 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 82% | 0.815 | 81% | 0.806 | S | S | * | * | trans | -130.5 | 118.6 | 155.7 | -62.4 | 178.4 | 0 | 0 | 0 | 106.3 | ||||
| 470 | V | 47.7 | Very low | 45.6 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | trans | -110.4 | 142.2 | 168 | 170.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 471 | T | 49.5 | Very low | 45.2 | Very low | 122 Ų | 122 | 149.5 Ų | 149.5 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | 129.6 | 116.7 | 167.3 | 59.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 472 | D | 54.1 | Low | 45.2 | Very low | 239 Ų | 239 | 150 Ų | 150 | 100% | 1.278 | 82% | 0.823 | S | S | * | * | cis | -125.8 | 0 | 20.3 | -77 | -41.8 | 0 | 0 | 0 | 113.7 |
Retrieved 472 of 472 residues in 589.6 ms
(Link to these results)