| 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 | 30.4 | Very low | 33.6 | Very low | 243 Ų | 243 | 114 Ų | 114 | 100% | 1.197 | 63% | 0.631 | S | S | * | * | 0 | 44.1 | 0 | -74.6 | -156.7 | -82.8 | 0 | 0 | 112.7 | |||||
| 2 | A | 24.6 | Very low | 34.5 | Very low | 87 Ų | 87 | 117.8 Ų | 117.8 | 72% | 0.719 | 64% | 0.637 | S | S | * | * | trans | -116.2 | 0.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 3 | E | 26.1 | Very low | 35.4 | Very low | 167 Ų | 167 | 114.5 Ų | 114.5 | 78% | 0.78 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -6.9 | -176.7 | -73.4 | 179.1 | 144.1 | 0 | 0 | 114.2 | ||
| 4 | A | 24.8 | Very low | 35.9 | Very low | 73 Ų | 73 | 114.4 Ų | 114.4 | 60% | 0.603 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -14.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V8 | A4-V8 WeakPolarHBondContact O-CG2 3.38Š|
| 5 | H | 30.9 | Very low | 37.4 | Very low | 151 Ų | 151 | 110.8 Ų | 110.8 | 70% | 0.699 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -87.2 | -17.9 | -172.2 | -83.1 | -96.4 | 0 | 0 | 0 | 114.9 | A7 | H5-A7 VanDerWaalsContact C-N 3.34Š|
| 6 | Q | 31.9 | Very low | 38 | Very low | 158 Ų | 158 | 112.4 Ų | 112.4 | 74% | 0.738 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -87.1 | -0.8 | 178.4 | -74.5 | -172.5 | -11.6 | 0 | 0 | 114.1 | ||
| 7 | A | 32.3 | Very low | 38.8 | Very low | 81 Ų | 81 | 115.2 Ų | 115.2 | 67% | 0.669 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -128.8 | 34 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H5 A9 | H5-A7 VanDerWaalsContact C-N 3.34Å; A7-A9 VanDerWaalsContact C-N 3.32Å; A7-A9 PolarHBondContact O-N 3.32Å; A7-A9 VanDerWaalsContact O-N 3.08Å |
| 8 | V | 37.8 | Very low | 39.6 | Very low | 62 Ų | 62 | 110.7 Ų | 110.7 | 38% | 0.376 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.7 | 71.3 | 178.8 | -165 | 0 | 0 | 0 | 0 | 111.1 | A4 Q11 | A4-V8 WeakPolarHBondContact O-CG2 3.38Å; V8-Q11 HydrophobicContact CG1-CB 4.25Å; V8-Q11 HydrophobicContact CG1-CG 3.63Å |
| 9 | A | 42.2 | Very low | 40.1 | Very low | 31 Ų | 31 | 111.4 Ų | 111.4 | 26% | 0.256 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.6 | -22 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A7 A27 | A7-A9 VanDerWaalsContact C-N 3.32Å; A7-A9 PolarHBondContact O-N 3.32Å; A7-A9 VanDerWaalsContact O-N 3.08Å; A9-A27 HydrophobicContact CB-CB 3.56Å |
| 10 | F | 42.1 | Very low | 40.1 | Very low | 110 Ų | 110 | 109.9 Ų | 109.9 | 48% | 0.482 | 62% | 0.616 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -137.8 | 107.7 | -177.8 | -60.7 | -80.5 | 0 | 0 | 0 | 108.7 | L21 I31 | F10-L21 HydrophobicContact CD1-CD2 4.42Å; F10-I31 HydrophobicContact CE2-CD1 3.78Å; F10-I31 HydrophobicContact CZ-CD1 3.45Å; F10-I31 VanDerWaalsContact CZ-CD1 3.45Å |
| 11 | Q | 46.1 | Very low | 40.4 | Very low | 91 Ų | 91 | 109 Ų | 109 | 43% | 0.425 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.7 | 117.3 | 162.5 | -109.1 | 166.1 | 4.1 | 0 | 0 | 106.8 | V8 R22 | V8-Q11 HydrophobicContact CG1-CB 4.25Å; V8-Q11 HydrophobicContact CG1-CG 3.63Å; Q11-R22 HydrophobicContact CB-CB 4.45Å; Q11-R22 PolarHBondContact O-N 2.65Å |
| 12 | F | 44.4 | Very low | 41.3 | Very low | 160 Ų | 160 | 105.7 Ų | 105.7 | 70% | 0.702 | 58% | 0.584 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.4 | 167 | 67.5 | -87.3 | 0 | 0 | 0 | 107.8 | ||
| 13 | T | 46.9 | Very low | 42.6 | Very low | 75 Ų | 75 | 106.6 Ų | 106.6 | 46% | 0.46 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.2 | 116.9 | 172.5 | 1.3 | 0 | 0 | 0 | 0 | 106.7 | T15 D20 | T13-T15 PolarHBondContact O-N 3.45Å; T13-D20 PolarHBondContact N-O 2.79Å; T13-D20 VanDerWaalsContact N-O 3.14Å; T13-D20 PolarHBondContact O-N 2.96Å |
| 14 | V | 41.8 | Very low | 44.1 | Very low | 113 Ų | 113 | 101.3 Ų | 101.3 | 69% | 0.685 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84.3 | 110 | 173.8 | -176.8 | 0 | 0 | 0 | 0 | 106.7 | ||
| 15 | T | 58.9 | Low | 45.9 | Very low | 60 Ų | 60 | 105.9 Ų | 105.9 | 37% | 0.368 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 164 | 173 | 65 | 0 | 0 | 0 | 0 | 109.3 | T13 D17 G18 | T13-T15 PolarHBondContact O-N 3.45Å; T15-D17 PolarHBondContact O-N 2.82Å; T15-G18 PolarHBondContact N-O 3.02Å; T15-G18 PolarHBondContact O-N 3.5Å; T15-G18 VanDerWaalsContact O-N 3.14Å; T15-G18 PolarHBondContact OG1-O 3.19Å |
| 16 | P | 46.8 | Very low | 47.1 | Very low | 137 Ų | 137 | 103 Ų | 103 | 89% | 0.89 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -20.2 | 175.8 | -24.5 | 34.7 | 0 | 0 | 0 | 114 | ||
| 17 | D | 51.3 | Low | 48.3 | Very low | 160 Ų | 160 | 96.3 Ų | 96.3 | 86% | 0.856 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -0.3 | -177.6 | -57.9 | -45.6 | 0 | 0 | 0 | 114 | T15 | T15-D17 PolarHBondContact O-N 2.82Š|
| 18 | G | 53.5 | Low | 50 | Low | 34 Ų | 34 | 95.6 Ų | 95.6 | 35% | 0.351 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.2 | -166.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T15 | T15-G18 PolarHBondContact N-O 3.02Å; T15-G18 PolarHBondContact O-N 3.5Å; T15-G18 VanDerWaalsContact O-N 3.14Å; T15-G18 PolarHBondContact OG1-O 3.19Å |
| 19 | I | 48.3 | Very low | 51.5 | Low | 124 Ų | 124 | 97.6 Ų | 97.6 | 64% | 0.636 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 111 | 177.4 | -59.8 | 171.1 | 0 | 0 | 0 | 108.3 | L21 | I19-L21 HydrophobicContact CG2-CD1 4.34Å |
| 20 | D | 41.4 | Very low | 52.6 | Low | 80 Ų | 80 | 98.8 Ų | 98.8 | 43% | 0.428 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 120.4 | 171.5 | -170.3 | 15.5 | 0 | 0 | 0 | 109.9 | T13 | T13-D20 PolarHBondContact N-O 2.79Å; T13-D20 VanDerWaalsContact N-O 3.14Å; T13-D20 PolarHBondContact O-N 2.96Å |
| 21 | L | 47 | Very low | 53.9 | Low | 91 Ų | 91 | 97.6 Ų | 97.6 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 91.5 | -168 | -141.5 | 153.7 | 0 | 0 | 0 | 109.2 | F10 I19 M23 | F10-L21 HydrophobicContact CD1-CD2 4.42Å; I19-L21 HydrophobicContact CG2-CD1 4.34Å; L21-M23 HydrophobicContact CD2-CG 3.47Å; L21-M23 VanDerWaalsContact CD2-CG 3.47Å; L21-M23 HydrophobicContact CD2-SD 4.18Å; L21-M23 PolarHBondContact O-N 3.34Å |
| 22 | R | 48.7 | Very low | 55.2 | Low | 175 Ų | 175 | 100.9 Ų | 100.9 | 66% | 0.66 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 99.1 | 175 | -77 | -172.1 | 175.5 | -171.7 | -1.9 | 110.1 | Q11 | Q11-R22 HydrophobicContact CB-CB 4.45Å; Q11-R22 PolarHBondContact O-N 2.65Å |
| 23 | M | 50.8 | Low | 56.5 | Low | 106 Ų | 106 | 95.5 Ų | 95.5 | 52% | 0.522 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 121.1 | 175.6 | -64.7 | -168.4 | -68.4 | 0 | 0 | 111.1 | L21 H25 L28 | L21-M23 HydrophobicContact CD2-CG 3.47Å; L21-M23 VanDerWaalsContact CD2-CG 3.47Å; L21-M23 HydrophobicContact CD2-SD 4.18Å; L21-M23 PolarHBondContact O-N 3.34Å; M23-H25 PolarHBondContact O-N 2.95Å; M23-L28 HydrophobicContact CB-CD1 3.95Å; M23-L28 HydrophobicContact CB-CG 4.42Å; M23-L28 HydrophobicContact CE-CD1 4.3Å; M23-L28 HydrophobicContact SD-CD1 4.11Å; M23-L28 HydrophobicContact SD-CD2 4.13Å |
| 24 | S | 57.6 | Low | 57.4 | Low | 56 Ų | 56 | 94.2 Ų | 94.2 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | trans | -72.4 | 123.5 | 170.9 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | E26 A27 L28 | S24-E26 PolarHBondContact O-N 3.07Å; S24-E26 PolarHBondContact OG-N 2.64Å; S24-A27 WeakPolarHBondContact O-CB 3.48Å; S24-A27 PolarHBondContact O-N 3.23Å; S24-L28 PolarHBondContact O-N 2.7Å | ||
| 25 | H | 62.3 | Low | 58.8 | Low | 169 Ų | 169 | 90.7 Ų | 90.7 | 78% | 0.782 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -54.6 | -37.1 | 175.8 | -96.4 | -68.9 | 0 | 0 | 0 | 112.5 | M23 L28 K29 | M23-H25 PolarHBondContact O-N 2.95Å; H25-L28 PolarHBondContact O-N 3.08Å; H25-K29 WeakPolarHBondContact O-CB 3.33Å; H25-K29 PolarHBondContact O-N 3.15Å |
| 26 | E | 56.9 | Low | 59.6 | Low | 91 Ų | 91 | 89.6 Ų | 89.6 | 43% | 0.425 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.9 | -38.2 | 178.3 | -161.9 | 60.6 | -145.4 | 0 | 0 | 111 | S24 K29 Q30 | S24-E26 PolarHBondContact O-N 3.07Å; S24-E26 PolarHBondContact OG-N 2.64Å; E26-K29 WeakPolarHBondContact O-CB 3.48Å; E26-K29 PolarHBondContact O-N 2.79Å; E26-K29 IonicContact OE1-NZ 2.86Å; E26-K29 PolarHBondContact OE1-NZ 3.42Å; E26-K29 IonicContact OE2-NZ 3.41Å; E26-K29 PolarHBondContact OE2-NZ 2.75Å; E26-Q30 VanDerWaalsContact O-CG 3.28Å; E26-Q30 WeakPolarHBondContact O-CG 3.05Å; E26-Q30 PolarHBondContact O-N 2.85Å |
| 27 | A | 56.5 | Low | 60.8 | Low | 17 Ų | 17 | 87 Ų | 87 | 14% | 0.14 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A9 S24 K29 Q30 I31 | A9-A27 HydrophobicContact CB-CB 3.56Å; S24-A27 WeakPolarHBondContact O-CB 3.48Å; S24-A27 PolarHBondContact O-N 3.23Å; A27-K29 VanDerWaalsContact C-N 3.34Å; A27-K29 PolarHBondContact O-N 3.47Å; A27-Q30 PolarHBondContact O-N 3.15Å; A27-I31 VanDerWaalsContact O-CG1 3.29Å; A27-I31 WeakPolarHBondContact O-CG1 3.38Å; A27-I31 PolarHBondContact O-N 3.42Å |
| 28 | L | 68.1 | Low | 61.8 | Low | 66 Ų | 66 | 81.7 Ų | 81.7 | 35% | 0.346 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 174.8 | -74.2 | 172.8 | 0 | 0 | 0 | 111.8 | M23 S24 H25 I31 Y32 | M23-L28 HydrophobicContact CB-CD1 3.95Å; M23-L28 HydrophobicContact CB-CG 4.42Å; M23-L28 HydrophobicContact CE-CD1 4.3Å; M23-L28 HydrophobicContact SD-CD1 4.11Å; M23-L28 HydrophobicContact SD-CD2 4.13Å; S24-L28 PolarHBondContact O-N 2.7Å; H25-L28 PolarHBondContact O-N 3.08Å; L28-I31 PolarHBondContact O-N 2.98Å; L28-Y32 WeakPolarHBondContact O-CB 3.2Å; L28-Y32 PolarHBondContact O-N 2.97Å |
| 29 | K | 70.8 | Confident | 63.1 | Low | 104 Ų | 104 | 88.4 Ų | 88.4 | 45% | 0.452 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61 | -42.9 | 174.2 | 178.4 | -178.9 | 160.5 | -146.3 | 0 | 111.7 | H25 E26 A27 Y32 L33 | H25-K29 WeakPolarHBondContact O-CB 3.33Å; H25-K29 PolarHBondContact O-N 3.15Å; E26-K29 WeakPolarHBondContact O-CB 3.48Å; E26-K29 PolarHBondContact O-N 2.79Å; E26-K29 IonicContact OE1-NZ 2.86Å; E26-K29 PolarHBondContact OE1-NZ 3.42Å; E26-K29 IonicContact OE2-NZ 3.41Å; E26-K29 PolarHBondContact OE2-NZ 2.75Å; A27-K29 VanDerWaalsContact C-N 3.34Å; A27-K29 PolarHBondContact O-N 3.47Å; K29-Y32 PolarHBondContact O-N 2.88Å; K29-L33 HydrophobicContact CG-CD1 4.15Å; K29-L33 WeakPolarHBondContact O-CB 3.33Å; K29-L33 VanDerWaalsContact O-CG 3.28Å; K29-L33 WeakPolarHBondContact O-CG 2.98Å; K29-L33 PolarHBondContact O-N 2.84Å |
| 30 | Q | 63.6 | Low | 64.6 | Low | 55 Ų | 55 | 87.7 Ų | 87.7 | 26% | 0.257 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | 176.4 | -67.5 | -60.9 | -30.3 | 0 | 0 | 112.5 | E26 A27 L33 S34 D350 | E26-Q30 VanDerWaalsContact O-CG 3.28Å; E26-Q30 WeakPolarHBondContact O-CG 3.05Å; E26-Q30 PolarHBondContact O-N 2.85Å; A27-Q30 PolarHBondContact O-N 3.15Å; Q30-L33 PolarHBondContact O-N 3.16Å; Q30-S34 WeakPolarHBondContact O-CB 3.49Å; Q30-S34 PolarHBondContact O-N 3.42Å; Q30-D350 PolarHBondContact NE2-OD1 3.28Å |
| 31 | I | 69.3 | Low | 66.3 | Low | 86 Ų | 86 | 86.5 Ų | 86.5 | 44% | 0.441 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.6 | -46.7 | 174.1 | -69.1 | 167.2 | 0 | 0 | 0 | 110.2 | F10 A27 L28 S34 G35 | F10-I31 HydrophobicContact CE2-CD1 3.78Å; F10-I31 HydrophobicContact CZ-CD1 3.45Å; F10-I31 VanDerWaalsContact CZ-CD1 3.45Å; A27-I31 VanDerWaalsContact O-CG1 3.29Å; A27-I31 WeakPolarHBondContact O-CG1 3.38Å; A27-I31 PolarHBondContact O-N 3.42Å; L28-I31 PolarHBondContact O-N 2.98Å; I31-S34 PolarHBondContact O-N 3.22Å; I31-G35 PolarHBondContact O-N 2.73Å |
| 32 | Y | 74.6 | Confident | 67.9 | Low | 159 Ų | 159 | 88.1 Ų | 88.1 | 62% | 0.624 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.1 | -51.5 | 176 | 173 | -103.2 | 0 | 0 | 0 | 111.6 | L28 K29 S34 G35 V36 | L28-Y32 WeakPolarHBondContact O-CB 3.2Å; L28-Y32 PolarHBondContact O-N 2.97Å; K29-Y32 PolarHBondContact O-N 2.88Å; Y32-S34 VanDerWaalsContact C-N 3.35Å; Y32-S34 PolarHBondContact O-N 2.93Å; Y32-G35 WeakPolarHBondContact O-CA 3.35Å; Y32-G35 PolarHBondContact O-N 3.09Å; Y32-G35 VanDerWaalsContact O-N 3.12Å; Y32-V36 HydrophobicContact CD1-CG2 4.34Å; Y32-V36 HydrophobicContact CD2-CG2 4.22Å; Y32-V36 HydrophobicContact CE1-CG2 3.92Å; Y32-V36 HydrophobicContact CE2-CG2 3.78Å; Y32-V36 HydrophobicContact CG-CG2 4.48Å; Y32-V36 WeakPolarHBondContact O-CG2 3.43Å; Y32-V36 PolarHBondContact O-N 2.84Å |
| 33 | L | 71.3 | Confident | 69.6 | Low | 47 Ų | 47 | 84.8 Ų | 84.8 | 25% | 0.246 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.5 | -43 | 178.5 | -72.4 | 174.3 | 0 | 0 | 0 | 111.8 | K29 Q30 G35 V36 H37 | K29-L33 HydrophobicContact CG-CD1 4.15Å; K29-L33 WeakPolarHBondContact O-CB 3.33Å; K29-L33 VanDerWaalsContact O-CG 3.28Å; K29-L33 WeakPolarHBondContact O-CG 2.98Å; K29-L33 PolarHBondContact O-N 2.84Å; Q30-L33 PolarHBondContact O-N 3.16Å; L33-G35 VanDerWaalsContact C-N 3.34Å; L33-V36 PolarHBondContact O-N 2.73Å; L33-H37 WeakPolarHBondContact O-CB 3.47Å; L33-H37 PolarHBondContact O-N 3.48Å; L33-H37 PolarHBondContact O-ND1 3.15Å |
| 34 | S | 65.7 | Low | 71.2 | Confident | 48 Ų | 48 | 82 Ų | 82 | 34% | 0.336 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 174.4 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | Q30 I31 Y32 H37 S38 K332 | Q30-S34 WeakPolarHBondContact O-CB 3.49Å; Q30-S34 PolarHBondContact O-N 3.42Å; I31-S34 PolarHBondContact O-N 3.22Å; Y32-S34 VanDerWaalsContact C-N 3.35Å; Y32-S34 PolarHBondContact O-N 2.93Å; S34-H37 PolarHBondContact O-N 2.97Å; S34-S38 VanDerWaalsContact O-CB 3.28Å; S34-S38 WeakPolarHBondContact O-CB 3.32Å; S34-S38 PolarHBondContact O-N 3.3Å; S34-K332 PolarHBondContact OG-NZ 3.34Å |
| 35 | G | 71.4 | Confident | 72.4 | Confident | 40 Ų | 40 | 82.7 Ų | 82.7 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I31 Y32 L33 H37 S38 W39 | I31-G35 PolarHBondContact O-N 2.73Å; Y32-G35 WeakPolarHBondContact O-CA 3.35Å; Y32-G35 PolarHBondContact O-N 3.09Å; Y32-G35 VanDerWaalsContact O-N 3.12Å; L33-G35 VanDerWaalsContact C-N 3.34Å; G35-H37 PolarHBondContact O-N 3.42Å; G35-S38 PolarHBondContact O-N 3.32Å; G35-W39 WeakPolarHBondContact O-CB 3.26Å; G35-W39 PolarHBondContact O-N 2.83Å |
| 36 | V | 76.6 | Confident | 73.4 | Confident | 36 Ų | 36 | 81.2 Ų | 81.2 | 22% | 0.218 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 176.9 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | Y32 L33 W39 K40 | Y32-V36 HydrophobicContact CD1-CG2 4.34Å; Y32-V36 HydrophobicContact CD2-CG2 4.22Å; Y32-V36 HydrophobicContact CE1-CG2 3.92Å; Y32-V36 HydrophobicContact CE2-CG2 3.78Å; Y32-V36 HydrophobicContact CG-CG2 4.48Å; Y32-V36 WeakPolarHBondContact O-CG2 3.43Å; Y32-V36 PolarHBondContact O-N 2.84Å; L33-V36 PolarHBondContact O-N 2.73Å; V36-W39 PolarHBondContact O-N 3.2Å; V36-K40 HydrophobicContact CG1-CD 4.15Å; V36-K40 HydrophobicContact CG1-CG 4.46Å; V36-K40 WeakPolarHBondContact O-CB 3.3Å; V36-K40 WeakPolarHBondContact O-CG 3.49Å; V36-K40 PolarHBondContact O-N 3.49Å |
| 37 | H | 71 | Confident | 74.9 | Confident | 83 Ų | 83 | 82 Ų | 82 | 38% | 0.384 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 178.4 | -78.2 | 87.1 | 0 | 0 | 0 | 112.4 | L33 S34 G35 W39 K40 K41 G351 | L33-H37 WeakPolarHBondContact O-CB 3.47Å; L33-H37 PolarHBondContact O-N 3.48Å; L33-H37 PolarHBondContact O-ND1 3.15Å; S34-H37 PolarHBondContact O-N 2.97Å; G35-H37 PolarHBondContact O-N 3.42Å; H37-W39 VanDerWaalsContact C-N 3.33Å; H37-W39 PolarHBondContact O-N 3.47Å; H37-K40 PolarHBondContact O-N 3.11Å; H37-K41 WeakPolarHBondContact O-CB 3.34Å; H37-K41 PolarHBondContact O-N 3.49Å; H37-G351 PolarHBondContact CD2-O 3.48Å; H37-G351 PolarHBondContact NE2-O 2.85Å |
| 38 | S | 72.1 | Confident | 76.4 | Confident | 48 Ų | 48 | 81.7 Ų | 81.7 | 34% | 0.336 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 174.4 | -174.8 | 0 | 0 | 0 | 0 | 110.7 | S34 G35 K41 K42 | S34-S38 VanDerWaalsContact O-CB 3.28Å; S34-S38 WeakPolarHBondContact O-CB 3.32Å; S34-S38 PolarHBondContact O-N 3.3Å; G35-S38 PolarHBondContact O-N 3.32Å; S38-K41 PolarHBondContact O-N 2.89Å; S38-K42 WeakPolarHBondContact O-CB 3.45Å; S38-K42 WeakPolarHBondContact O-CG 3.32Å; S38-K42 PolarHBondContact O-N 2.89Å |
| 39 | W | 80.8 | Confident | 77.3 | Confident | 175 Ų | 175 | 80.3 Ų | 80.3 | 66% | 0.663 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.6 | -46.4 | 176.4 | -173.8 | 83.2 | 0 | 0 | 0 | 112.2 | G35 V36 H37 K41 K42 F43 | G35-W39 WeakPolarHBondContact O-CB 3.26Å; G35-W39 PolarHBondContact O-N 2.83Å; V36-W39 PolarHBondContact O-N 3.2Å; H37-W39 VanDerWaalsContact C-N 3.33Å; H37-W39 PolarHBondContact O-N 3.47Å; W39-K41 VanDerWaalsContact C-N 3.32Å; W39-K41 PolarHBondContact O-N 3.09Å; W39-K42 PolarHBondContact O-N 3.16Å; W39-F43 VanDerWaalsContact O-CB 3.31Å; W39-F43 WeakPolarHBondContact O-CB 3.15Å; W39-F43 PolarHBondContact O-N 3.41Å |
| 40 | K | 81.1 | Confident | 78 | Confident | 110 Ų | 110 | 78.8 Ų | 78.8 | 48% | 0.478 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.7 | -44.4 | 173.9 | -77.6 | 178.3 | 179.9 | 178.7 | 0 | 111.8 | V36 H37 F43 I44 | V36-K40 HydrophobicContact CG1-CD 4.15Å; V36-K40 HydrophobicContact CG1-CG 4.46Å; V36-K40 WeakPolarHBondContact O-CB 3.3Å; V36-K40 WeakPolarHBondContact O-CG 3.49Å; V36-K40 PolarHBondContact O-N 3.49Å; H37-K40 PolarHBondContact O-N 3.11Å; K40-F43 PolarHBondContact O-N 3.38Å; K40-I44 VanDerWaalsContact O-CG1 3.26Å; K40-I44 WeakPolarHBondContact O-CG1 3.3Å; K40-I44 PolarHBondContact O-N 3.44Å |
| 41 | K | 75.8 | Confident | 79 | Confident | 54 Ų | 54 | 78.5 Ų | 78.5 | 24% | 0.235 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64 | -47.3 | 177.9 | -169.3 | -176.4 | -170.6 | -171.2 | 0 | 111.4 | H37 S38 W39 F43 I44 R45 D287 D330 | H37-K41 WeakPolarHBondContact O-CB 3.34Å; H37-K41 PolarHBondContact O-N 3.49Å; S38-K41 PolarHBondContact O-N 2.89Å; W39-K41 VanDerWaalsContact C-N 3.32Å; W39-K41 PolarHBondContact O-N 3.09Å; K41-F43 VanDerWaalsContact C-N 3.34Å; K41-F43 PolarHBondContact O-N 2.82Å; K41-I44 PolarHBondContact O-N 3.39Å; K41-R45 VanDerWaalsContact CE-CZ 3.44Å; K41-R45 WeakPolarHBondContact O-CG 3.36Å; K41-R45 PolarHBondContact O-N 2.73Å; K41-D287 WeakPolarHBondContact CE-OD2 3.46Å; K41-D287 IonicContact NZ-OD1 3.84Å; K41-D287 IonicContact NZ-OD2 2.96Å; K41-D287 PolarHBondContact NZ-OD2 3.16Å; K41-D330 IonicContact NZ-OD1 3.74Å; K41-D330 PolarHBondContact NZ-OD1 3.37Å |
| 42 | K | 81.1 | Confident | 79.9 | Confident | 126 Ų | 126 | 75.2 Ų | 75.2 | 55% | 0.548 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 176.1 | -74 | 179.1 | -177.6 | -175.9 | 0 | 111.4 | S38 W39 R45 F46 | S38-K42 WeakPolarHBondContact O-CB 3.45Å; S38-K42 WeakPolarHBondContact O-CG 3.32Å; S38-K42 PolarHBondContact O-N 2.89Å; W39-K42 PolarHBondContact O-N 3.16Å; K42-R45 PolarHBondContact O-N 2.74Å; K42-F46 WeakPolarHBondContact O-CB 3.28Å; K42-F46 PolarHBondContact O-N 2.73Å |
| 43 | F | 85.3 | Confident | 80.3 | Confident | 104 Ų | 104 | 69.3 Ų | 69.3 | 46% | 0.456 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.4 | -45.1 | 176.5 | 179.6 | -99.3 | 0 | 0 | 0 | 112.1 | W39 K40 K41 R45 F46 K47 | W39-F43 VanDerWaalsContact O-CB 3.31Å; W39-F43 WeakPolarHBondContact O-CB 3.15Å; W39-F43 PolarHBondContact O-N 3.41Å; K40-F43 PolarHBondContact O-N 3.38Å; K41-F43 VanDerWaalsContact C-N 3.34Å; K41-F43 PolarHBondContact O-N 2.82Å; F43-R45 PolarHBondContact O-N 3.47Å; F43-F46 PolarHBondContact O-N 2.89Å; F43-K47 HydrophobicContact CE1-CD 4.45Å; F43-K47 VanDerWaalsContact O-CB 3.24Å; F43-K47 WeakPolarHBondContact O-CB 3.39Å; F43-K47 PolarHBondContact O-N 3.41Å |
| 44 | I | 83.9 | Confident | 81.1 | Confident | 49 Ų | 49 | 68 Ų | 68 | 25% | 0.251 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 175.2 | -70.1 | 165.2 | 0 | 0 | 0 | 110.4 | K40 K41 F46 K47 N48 R288 | K40-I44 VanDerWaalsContact O-CG1 3.26Å; K40-I44 WeakPolarHBondContact O-CG1 3.3Å; K40-I44 PolarHBondContact O-N 3.44Å; K41-I44 PolarHBondContact O-N 3.39Å; I44-F46 PolarHBondContact O-N 3.44Å; I44-K47 PolarHBondContact O-N 3.14Å; I44-N48 VanDerWaalsContact O-CB 3.24Å; I44-N48 WeakPolarHBondContact O-CB 3.48Å; I44-N48 PolarHBondContact O-N 3.42Å; I44-N48 PolarHBondContact O-ND2 3.14Å; I44-N48 PolarHBondContact O-OD1 3.1Å; I44-R288 HydrophobicContact CG2-CG 4.27Å |
| 45 | R | 81.8 | Confident | 82.2 | Confident | 70 Ų | 70 | 66.1 Ų | 66.1 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61 | -43.4 | 176.9 | -75.2 | 178.8 | 174.5 | 165.7 | -8 | 112 | K41 K42 F43 N48 G49 D287 K329 D330 | K41-R45 VanDerWaalsContact CE-CZ 3.44Å; K41-R45 WeakPolarHBondContact O-CG 3.36Å; K41-R45 PolarHBondContact O-N 2.73Å; K42-R45 PolarHBondContact O-N 2.74Å; F43-R45 PolarHBondContact O-N 3.47Å; R45-N48 PolarHBondContact O-N 2.92Å; R45-G49 PolarHBondContact O-N 2.99Å; R45-D287 IonicContact CZ-OD1 3.07Å; R45-D287 IonicContact NE-OD1 3.24Å; R45-D287 IonicContact NH2-OD1 2.77Å; R45-D287 PolarHBondContact NH2-OD1 3.32Å; R45-D287 IonicContact NH2-OD2 3.32Å; R45-K329 PolarHBondContact NH1-O 2.7Å; R45-K329 PolarHBondContact NH2-O 3.48Å; R45-D330 IonicContact CZ-OD1 3.63Å; R45-D330 IonicContact NH1-OD1 3.88Å; R45-D330 PolarHBondContact NH1-OD1 2.99Å; R45-D330 IonicContact NH1-OD2 3.77Å; R45-D330 PolarHBondContact NH1-OD2 3.09Å; R45-D330 IonicContact NH2-OD1 3.95Å; R45-D330 PolarHBondContact NH2-OD1 3.2Å |
| 46 | F | 84.4 | Confident | 83 | Confident | 138 Ų | 138 | 64.6 Ų | 64.6 | 61% | 0.605 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.5 | -50.9 | 176 | 174.6 | -103.4 | 0 | 0 | 0 | 111.8 | K42 F43 I44 N48 G49 I50 | K42-F46 WeakPolarHBondContact O-CB 3.28Å; K42-F46 PolarHBondContact O-N 2.73Å; F43-F46 PolarHBondContact O-N 2.89Å; I44-F46 PolarHBondContact O-N 3.44Å; F46-N48 VanDerWaalsContact C-N 3.34Å; F46-N48 PolarHBondContact O-N 3.5Å; F46-G49 PolarHBondContact O-N 3.37Å; F46-G49 VanDerWaalsContact O-N 3.17Å; F46-I50 HydrophobicContact CD1-CD1 4.01Å; F46-I50 HydrophobicContact CE1-CD1 3.41Å; F46-I50 VanDerWaalsContact CE1-CD1 3.41Å; F46-I50 HydrophobicContact CE1-CG1 4.5Å; F46-I50 HydrophobicContact CE2-CD1 4.14Å; F46-I50 HydrophobicContact CZ-CD1 3.5Å; F46-I50 HydrophobicContact CZ-CG1 4.38Å; F46-I50 PolarHBondContact O-N 2.95Å |
| 47 | K | 88.7 | Confident | 83.5 | Confident | 106 Ų | 106 | 63.8 Ų | 63.8 | 46% | 0.461 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55 | -49.3 | 175.1 | 174.9 | -174.2 | 171.1 | -178.8 | 0 | 111 | F43 I44 G49 I50 I51 | F43-K47 HydrophobicContact CE1-CD 4.45Å; F43-K47 VanDerWaalsContact O-CB 3.24Å; F43-K47 WeakPolarHBondContact O-CB 3.39Å; F43-K47 PolarHBondContact O-N 3.41Å; I44-K47 PolarHBondContact O-N 3.14Å; K47-G49 VanDerWaalsContact C-N 3.33Å; K47-G49 PolarHBondContact O-N 3.07Å; K47-I50 PolarHBondContact O-N 3.39Å; K47-I51 HydrophobicContact CD-CD1 4.37Å; K47-I51 HydrophobicContact CG-CD1 3.8Å; K47-I51 HydrophobicContact CG-CG1 4.49Å; K47-I51 VanDerWaalsContact O-CG1 3.31Å; K47-I51 WeakPolarHBondContact O-CG1 3.44Å; K47-I51 PolarHBondContact O-N 2.77Å |
| 48 | N | 88.1 | Confident | 84.3 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 6% | 0.059 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 179 | -69.7 | -5.3 | 0 | 0 | 0 | 110.8 | I44 R45 F46 I50 I51 T52 M163 R288 | I44-N48 VanDerWaalsContact O-CB 3.24Å; I44-N48 WeakPolarHBondContact O-CB 3.48Å; I44-N48 PolarHBondContact O-N 3.42Å; I44-N48 PolarHBondContact O-ND2 3.14Å; I44-N48 PolarHBondContact O-OD1 3.1Å; R45-N48 PolarHBondContact O-N 2.92Å; F46-N48 VanDerWaalsContact C-N 3.34Å; F46-N48 PolarHBondContact O-N 3.5Å; N48-I50 VanDerWaalsContact C-N 3.3Å; N48-I50 PolarHBondContact O-N 2.92Å; N48-I51 PolarHBondContact O-N 2.6Å; N48-I51 VanDerWaalsContact O-N 3.12Å; N48-T52 PolarHBondContact O-N 3.49Å; N48-T52 PolarHBondContact O-OG1 2.99Å; N48-M163 HydrophobicContact CB-CE 3.91Å; N48-M163 HydrophobicContact CB-SD 4.42Å; N48-M163 WeakPolarHBondContact ND2-CE 3.25Å; N48-M163 VanDerWaalsContact OD1-CE 3.32Å; N48-M163 WeakPolarHBondContact OD1-CE 3.41Å; N48-R288 PolarHBondContact ND2-O 2.94Å |
| 49 | G | 85.3 | Confident | 85 | Confident | 37 Ų | 37 | 62.5 Ų | 62.5 | 38% | 0.381 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.3 | -40.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R45 F46 K47 T52 G53 | R45-G49 PolarHBondContact O-N 2.99Å; F46-G49 PolarHBondContact O-N 3.37Å; F46-G49 VanDerWaalsContact O-N 3.17Å; K47-G49 VanDerWaalsContact C-N 3.33Å; K47-G49 PolarHBondContact O-N 3.07Å; G49-T52 PolarHBondContact O-OG1 3.41Å; G49-G53 VanDerWaalsContact O-CA 3.29Å; G49-G53 WeakPolarHBondContact O-CA 3.45Å; G49-G53 PolarHBondContact O-N 3.46Å |
| 50 | I | 85.4 | Confident | 85.3 | Confident | 73 Ų | 73 | 57.9 Ų | 57.9 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.2 | -50.7 | 171.7 | -66.4 | 172.3 | 0 | 0 | 0 | 110.4 | F46 K47 N48 T52 G53 V54 P59 | F46-I50 HydrophobicContact CD1-CD1 4.01Å; F46-I50 HydrophobicContact CE1-CD1 3.41Å; F46-I50 VanDerWaalsContact CE1-CD1 3.41Å; F46-I50 HydrophobicContact CE1-CG1 4.5Å; F46-I50 HydrophobicContact CE2-CD1 4.14Å; F46-I50 HydrophobicContact CZ-CD1 3.5Å; F46-I50 HydrophobicContact CZ-CG1 4.38Å; F46-I50 PolarHBondContact O-N 2.95Å; K47-I50 PolarHBondContact O-N 3.39Å; N48-I50 VanDerWaalsContact C-N 3.3Å; N48-I50 PolarHBondContact O-N 2.92Å; I50-T52 PolarHBondContact O-N 3.2Å; I50-G53 CarbonylContact O-C 3.21Å; I50-G53 PolarHBondContact O-N 3.02Å; I50-G53 VanDerWaalsContact O-N 3.13Å; I50-V54 WeakPolarHBondContact O-CG1 3.27Å; I50-V54 WeakPolarHBondContact O-CG2 3.33Å; I50-V54 PolarHBondContact O-N 3.08Å; I50-P59 HydrophobicContact CG2-CG 4.3Å |
| 51 | I | 86.5 | Confident | 85.7 | Confident | 48 Ų | 48 | 54 Ų | 54 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.5 | -48.9 | -177.4 | -68.9 | 168.2 | 0 | 0 | 0 | 111.2 | K47 N48 G53 Y55 P59 M163 | K47-I51 HydrophobicContact CD-CD1 4.37Å; K47-I51 HydrophobicContact CG-CD1 3.8Å; K47-I51 HydrophobicContact CG-CG1 4.49Å; K47-I51 VanDerWaalsContact O-CG1 3.31Å; K47-I51 WeakPolarHBondContact O-CG1 3.44Å; K47-I51 PolarHBondContact O-N 2.77Å; N48-I51 PolarHBondContact O-N 2.6Å; N48-I51 VanDerWaalsContact O-N 3.12Å; I51-G53 VanDerWaalsContact C-N 3.34Å; I51-Y55 PolarHBondContact O-N 3.34Å; I51-P59 HydrophobicContact CG1-CG 4.4Å; I51-M163 HydrophobicContact CB-SD 4.21Å; I51-M163 HydrophobicContact CG2-SD 3.73Å |
| 52 | T | 86.3 | Confident | 86.6 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 10% | 0.104 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.9 | -34.8 | 176.2 | 56 | 0 | 0 | 0 | 0 | 111.6 | N48 G49 I50 V54 Y55 M163 Q289 | N48-T52 PolarHBondContact O-N 3.49Å; N48-T52 PolarHBondContact O-OG1 2.99Å; G49-T52 PolarHBondContact O-OG1 3.41Å; I50-T52 PolarHBondContact O-N 3.2Å; T52-V54 PolarHBondContact O-N 3.43Å; T52-Y55 WeakPolarHBondContact O-CB 3.46Å; T52-Y55 PolarHBondContact O-N 3.35Å; T52-M163 HydrophobicContact CG2-CB 4.01Å; T52-M163 HydrophobicContact CG2-SD 4.27Å; T52-Q289 VanDerWaalsContact CG2-OE1 3.27Å |
| 53 | G | 83.8 | Confident | 87 | Confident | 36 Ų | 36 | 54.4 Ų | 54.4 | 37% | 0.371 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.3 | -22.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | G49 I50 I51 R123 | G49-G53 VanDerWaalsContact O-CA 3.29Å; G49-G53 WeakPolarHBondContact O-CA 3.45Å; G49-G53 PolarHBondContact O-N 3.46Å; I50-G53 CarbonylContact O-C 3.21Å; I50-G53 PolarHBondContact O-N 3.02Å; I50-G53 VanDerWaalsContact O-N 3.13Å; I51-G53 VanDerWaalsContact C-N 3.34Å; G53-R123 PolarHBondContact O-NH2 3.34Å |
| 54 | V | 87.9 | Confident | 87.3 | Confident | 19 Ų | 19 | 55.2 Ų | 55.2 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -107 | -2.1 | 177.3 | -54.3 | 0 | 0 | 0 | 0 | 113.3 | I50 T52 A57 P59 W115 I119 | I50-V54 WeakPolarHBondContact O-CG1 3.27Å; I50-V54 WeakPolarHBondContact O-CG2 3.33Å; I50-V54 PolarHBondContact O-N 3.08Å; T52-V54 PolarHBondContact O-N 3.43Å; V54-A57 WeakPolarHBondContact O-CA 3.5Å; V54-A57 WeakPolarHBondContact O-CB 3.4Å; V54-A57 PolarHBondContact O-N 3.33Å; V54-P59 HydrophobicContact CG2-CG 4.27Å; V54-W115 HydrophobicContact CB-CH2 4.06Å; V54-W115 HydrophobicContact CB-CZ2 4.19Å; V54-W115 HydrophobicContact CG1-CH2 3.62Å; V54-W115 HydrophobicContact CG1-CZ2 4.25Å; V54-W115 HydrophobicContact CG1-CZ3 4.46Å; V54-I119 HydrophobicContact CB-CD1 3.96Å; V54-I119 HydrophobicContact CG1-CD1 4.42Å |
| 55 | Y | 89.5 | Confident | 87.7 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 139.9 | 175.2 | -170 | -89.9 | 0 | 0 | 0 | 110.4 | I51 T52 R123 L126 G159 P162 S166 F167 | I51-Y55 PolarHBondContact O-N 3.34Å; T52-Y55 WeakPolarHBondContact O-CB 3.46Å; T52-Y55 PolarHBondContact O-N 3.35Å; Y55-R123 PolarHBondContact O-NH2 3.33Å; Y55-L126 HydrophobicContact CE1-CD2 4.46Å; Y55-G159 PolarHBondContact OH-N 3.04Å; Y55-G159 PolarHBondContact OH-O 3.01Å; Y55-G159 VanDerWaalsContact OH-O 3.06Å; Y55-P162 HydrophobicContact CE2-CB 4.12Å; Y55-S166 WeakPolarHBondContact CD1-O 3.35Å; Y55-F167 AromaticContact CE1-CD1 3.73Å; Y55-F167 HydrophobicContact CE1-CD1 3.73Å; Y55-F167 AromaticContact CE1-CE1 3.6Å; Y55-F167 HydrophobicContact CE1-CE1 3.6Å; Y55-F167 HydrophobicContact CE1-CG 4.32Å; Y55-F167 HydrophobicContact CE1-CZ 4.09Å; Y55-F167 AromaticContact CZ-CE1 3.88Å; Y55-F167 AromaticContact CZ-CZ 3.93Å; Y55-F167 WeakPolarHBondContact OH-CE1 3.34Å; Y55-F167 WeakPolarHBondContact OH-CZ 3.3Å |
| 56 | P | 87.9 | Confident | 88.2 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 6% | 0.058 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -81.6 | -1.3 | 11.5 | 33.4 | -37.4 | 0 | 0 | 0 | 116.9 | M122 F157 | P56-M122 HydrophobicContact CB-CE 4.37Å; P56-M122 HydrophobicContact CG-CB 3.73Å; P56-M122 HydrophobicContact CG-CE 3.92Å; P56-F157 WeakPolarHBondContact CB-O 3.38Å; P56-F157 WeakPolarHBondContact CG-O 3.45Å |
| 57 | A | 87.7 | Confident | 88.6 | Confident | 19 Ų | 19 | 48.5 Ų | 48.5 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -80.1 | -171 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V54 I119 | V54-A57 WeakPolarHBondContact O-CA 3.5Å; V54-A57 WeakPolarHBondContact O-CB 3.4Å; V54-A57 PolarHBondContact O-N 3.33Å; A57-I119 HydrophobicContact CB-CD1 3.94Å; A57-I119 HydrophobicContact CB-CG1 3.51Å |
| 58 | S | 87.3 | Confident | 88.8 | Confident | 43 Ų | 43 | 45.1 Ų | 45.1 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | trans | -138.5 | 155.2 | 178.7 | 62.5 | 0 | 0 | 0 | 0 | 110.8 | S60 S61 | S58-S60 WeakPolarHBondContact CB-OG 3.28Å; S58-S60 PolarHBondContact O-N 2.87Å; S58-S60 VanDerWaalsContact O-N 3.16Å; S58-S60 PolarHBondContact OG-OG 2.82Å; S58-S61 PolarHBondContact N-OG 3.43Å; S58-S61 PolarHBondContact O-N 3.5Å; S58-S61 PolarHBondContact O-OG 3.47Å; S58-S61 PolarHBondContact OG-N 2.9Å | ||
| 59 | P | 86.1 | Confident | 88.9 | Confident | 60 Ų | 60 | 45 Ų | 45 | 39% | 0.39 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.3 | -31.3 | 171.7 | -26.9 | 36 | 0 | 0 | 0 | 113.1 | I50 I51 V54 S61 W62 | I50-P59 HydrophobicContact CG2-CG 4.3Å; I51-P59 HydrophobicContact CG1-CG 4.4Å; V54-P59 HydrophobicContact CG2-CG 4.27Å; P59-S61 VanDerWaalsContact C-N 3.33Å; P59-S61 PolarHBondContact O-N 3.37Å; P59-W62 WeakPolarHBondContact O-CB 3.49Å; P59-W62 PolarHBondContact O-N 2.9Å |
| 60 | S | 87.8 | Confident | 89.1 | Confident | 78 Ų | 78 | 45.7 Ų | 45.7 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.2 | -29.5 | 173.9 | 38.7 | 0 | 0 | 0 | 0 | 113.8 | S58 W62 L63 I64 | S58-S60 WeakPolarHBondContact CB-OG 3.28Å; S58-S60 PolarHBondContact O-N 2.87Å; S58-S60 VanDerWaalsContact O-N 3.16Å; S58-S60 PolarHBondContact OG-OG 2.82Å; S60-W62 VanDerWaalsContact C-N 3.26Å; S60-W62 PolarHBondContact O-N 2.91Å; S60-L63 PolarHBondContact O-N 2.85Å; S60-I64 PolarHBondContact O-N 3.34Å |
| 61 | S | 90 | Very high | 89.3 | Confident | 29 Ų | 29 | 45.5 Ų | 45.5 | 20% | 0.203 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -72.3 | -22.2 | 177.4 | 70 | 0 | 0 | 0 | 0 | 112.6 | S58 P59 I64 V65 W115 | S58-S61 PolarHBondContact N-OG 3.43Å; S58-S61 PolarHBondContact O-N 3.5Å; S58-S61 PolarHBondContact O-OG 3.47Å; S58-S61 PolarHBondContact OG-N 2.9Å; P59-S61 VanDerWaalsContact C-N 3.33Å; P59-S61 PolarHBondContact O-N 3.37Å; S61-I64 PolarHBondContact O-N 3.04Å; S61-V65 WeakPolarHBondContact O-CG2 3.39Å; S61-V65 PolarHBondContact O-N 3.03Å; S61-W115 PolarHBondContact OG-NE1 3.46Å |
| 62 | W | 92.8 | Very high | 89.5 | Confident | 89 Ų | 89 | 45.2 Ų | 45.2 | 34% | 0.337 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 170.3 | 172.5 | 79.2 | 0 | 0 | 0 | 110.7 | P59 S60 I64 V65 V66 I108 T112 W115 | P59-W62 WeakPolarHBondContact O-CB 3.49Å; P59-W62 PolarHBondContact O-N 2.9Å; S60-W62 VanDerWaalsContact C-N 3.26Å; S60-W62 PolarHBondContact O-N 2.91Å; W62-I64 VanDerWaalsContact C-N 3.29Å; W62-I64 PolarHBondContact O-N 3.38Å; W62-V65 PolarHBondContact O-N 3.49Å; W62-V66 HydrophobicContact CD2-CG2 4.13Å; W62-V66 HydrophobicContact CG-CG2 4.38Å; W62-V66 HydrophobicContact CZ2-CG2 3.94Å; W62-V66 WeakPolarHBondContact O-CG2 3.4Å; W62-V66 PolarHBondContact O-N 3.47Å; W62-I108 HydrophobicContact CZ2-CG2 4.42Å; W62-T112 PolarHBondContact NE1-OG1 3.16Å; W62-W115 VanDerWaalsContact CA-CD1 3.47Å; W62-W115 HydrophobicContact CB-CD2 3.72Å; W62-W115 HydrophobicContact CB-CE3 4.22Å; W62-W115 HydrophobicContact CB-CG 4.05Å; W62-W115 HydrophobicContact CB-CH2 4.25Å; W62-W115 HydrophobicContact CB-CZ2 3.78Å; W62-W115 HydrophobicContact CB-CZ3 4.47Å; W62-W115 AromaticContact CD1-CD2 3.81Å; W62-W115 AromaticContact CD1-CE3 3.71Å; W62-W115 HydrophobicContact CG-CD2 4.18Å; W62-W115 HydrophobicContact CG-CE3 4.31Å; W62-W115 HydrophobicContact CG-CG 4.49Å; W62-W115 VanDerWaalsContact N-NE1 3.12Å |
| 63 | L | 91.3 | Very high | 89.4 | Confident | 99 Ų | 99 | 46.4 Ų | 46.4 | 52% | 0.518 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 178.5 | -175.4 | 67.4 | 0 | 0 | 0 | 111.1 | S60 V65 V66 V67 | S60-L63 PolarHBondContact O-N 2.85Å; L63-V65 PolarHBondContact O-N 2.96Å; L63-V66 PolarHBondContact O-N 2.71Å; L63-V67 HydrophobicContact CD1-CG2 3.93Å; L63-V67 HydrophobicContact CG-CG2 4.12Å; L63-V67 VanDerWaalsContact O-CB 3.25Å; L63-V67 WeakPolarHBondContact O-CB 3.42Å; L63-V67 WeakPolarHBondContact O-CG2 3.47Å; L63-V67 PolarHBondContact O-N 3Å |
| 64 | I | 91.7 | Very high | 89.5 | Confident | 122 Ų | 122 | 54.9 Ų | 54.9 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -61.1 | -45.4 | 177.5 | -63.2 | 170.6 | 0 | 0 | 0 | 111 | S60 S61 W62 G68 | S60-I64 PolarHBondContact O-N 3.34Å; S61-I64 PolarHBondContact O-N 3.04Å; W62-I64 VanDerWaalsContact C-N 3.29Å; W62-I64 PolarHBondContact O-N 3.38Å; I64-G68 PolarHBondContact O-N 3.2Å |
| 65 | V | 92.1 | Very high | 89.4 | Confident | 30 Ų | 30 | 56.9 Ų | 56.9 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.5 | -47.1 | 179 | 174.1 | 0 | 0 | 0 | 0 | 111 | S61 W62 L63 G68 V69 G111 L114 W115 L118 | S61-V65 WeakPolarHBondContact O-CG2 3.39Å; S61-V65 PolarHBondContact O-N 3.03Å; W62-V65 PolarHBondContact O-N 3.49Å; L63-V65 PolarHBondContact O-N 2.96Å; V65-G68 PolarHBondContact O-N 3.33Å; V65-V69 WeakPolarHBondContact O-CG2 3.44Å; V65-V69 PolarHBondContact O-N 3.37Å; V65-G111 WeakPolarHBondContact CG1-O 3.5Å; V65-L114 HydrophobicContact CG1-CB 4.39Å; V65-L114 HydrophobicContact CG1-CD2 4.04Å; V65-L114 HydrophobicContact CG1-CG 4.24Å; V65-W115 HydrophobicContact CB-CB 4.27Å; V65-W115 HydrophobicContact CG1-CB 4.17Å; V65-W115 HydrophobicContact CG2-CB 4.41Å; V65-L118 HydrophobicContact CG2-CD1 4.25Å |
| 66 | V | 92.4 | Very high | 89.1 | Confident | 11 Ų | 11 | 66 Ų | 66 | 7% | 0.067 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.7 | -47.3 | -179.8 | 172 | 0 | 0 | 0 | 0 | 111.1 | W62 L63 G68 V69 M70 I108 | W62-V66 HydrophobicContact CD2-CG2 4.13Å; W62-V66 HydrophobicContact CG-CG2 4.38Å; W62-V66 HydrophobicContact CZ2-CG2 3.94Å; W62-V66 WeakPolarHBondContact O-CG2 3.4Å; W62-V66 PolarHBondContact O-N 3.47Å; L63-V66 PolarHBondContact O-N 2.71Å; V66-G68 VanDerWaalsContact C-N 3.3Å; V66-G68 PolarHBondContact O-N 3.05Å; V66-V69 PolarHBondContact O-N 3.25Å; V66-M70 HydrophobicContact CG1-CG 4.21Å; V66-M70 WeakPolarHBondContact O-CB 3.21Å; V66-M70 VanDerWaalsContact O-CG 3.24Å; V66-M70 WeakPolarHBondContact O-CG 3.43Å; V66-M70 PolarHBondContact O-N 2.86Å; V66-I108 HydrophobicContact CG1-CG1 4.03Å |
| 67 | V | 92.5 | Very high | 88.9 | Confident | 74 Ų | 74 | 70.7 Ų | 70.7 | 45% | 0.448 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 176.2 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | L63 V69 M70 S71 | L63-V67 HydrophobicContact CD1-CG2 3.93Å; L63-V67 HydrophobicContact CG-CG2 4.12Å; L63-V67 VanDerWaalsContact O-CB 3.25Å; L63-V67 WeakPolarHBondContact O-CB 3.42Å; L63-V67 WeakPolarHBondContact O-CG2 3.47Å; L63-V67 PolarHBondContact O-N 3Å; V67-V69 PolarHBondContact O-N 3.47Å; V67-M70 PolarHBondContact O-N 3.42Å; V67-S71 WeakPolarHBondContact O-CB 3.22Å; V67-S71 PolarHBondContact O-N 2.88Å; V67-S71 PolarHBondContact O-OG 3.25Å |
| 68 | G | 91.8 | Very high | 88.5 | Confident | 35 Ų | 35 | 73.2 Ų | 73.2 | 36% | 0.361 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.9 | -49.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I64 V65 V66 S71 T72 | I64-G68 PolarHBondContact O-N 3.2Å; V65-G68 PolarHBondContact O-N 3.33Å; V66-G68 VanDerWaalsContact C-N 3.3Å; V66-G68 PolarHBondContact O-N 3.05Å; G68-S71 PolarHBondContact O-N 2.9Å; G68-T72 WeakPolarHBondContact O-CG2 3.38Å; G68-T72 PolarHBondContact O-N 3.48Å; G68-T72 PolarHBondContact O-OG1 3.4Å |
| 69 | V | 91.3 | Very high | 88 | Confident | 8 Ų | 8 | 74.2 Ų | 74.2 | 5% | 0.048 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 175.4 | 170.1 | 0 | 0 | 0 | 0 | 110.8 | V65 V66 V67 S71 T72 M73 I84 F110 L114 | V65-V69 WeakPolarHBondContact O-CG2 3.44Å; V65-V69 PolarHBondContact O-N 3.37Å; V66-V69 PolarHBondContact O-N 3.25Å; V67-V69 PolarHBondContact O-N 3.47Å; V69-S71 PolarHBondContact O-N 3.25Å; V69-T72 WeakPolarHBondContact CA-OG1 3.45Å; V69-T72 PolarHBondContact O-N 3Å; V69-T72 PolarHBondContact O-OG1 3.32Å; V69-M73 HydrophobicContact CG1-SD 4.17Å; V69-M73 WeakPolarHBondContact O-CG 3.42Å; V69-M73 PolarHBondContact O-N 3.35Å; V69-I84 HydrophobicContact CG1-CD1 3.99Å; V69-F110 HydrophobicContact CG1-CD1 3.98Å; V69-F110 HydrophobicContact CG2-CD1 4.12Å; V69-F110 HydrophobicContact CG2-CE1 4.26Å; V69-L114 HydrophobicContact CG2-CD2 4.4Å |
| 70 | M | 89 | Confident | 87.8 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 26% | 0.256 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | -180 | -69.8 | -54.9 | -60.1 | 0 | 0 | 112.5 | V66 V67 M73 Y74 I104 | V66-M70 HydrophobicContact CG1-CG 4.21Å; V66-M70 WeakPolarHBondContact O-CB 3.21Å; V66-M70 VanDerWaalsContact O-CG 3.24Å; V66-M70 WeakPolarHBondContact O-CG 3.43Å; V66-M70 PolarHBondContact O-N 2.86Å; V67-M70 PolarHBondContact O-N 3.42Å; M70-M73 PolarHBondContact O-N 3.29Å; M70-M73 HydrophobicContact SD-SD 4.15Å; M70-Y74 PolarHBondContact O-N 3.16Å; M70-I104 HydrophobicContact CE-CB 4.25Å; M70-I104 HydrophobicContact CE-CG1 3.92Å; M70-I104 HydrophobicContact CE-CG2 4.28Å |
| 71 | S | 90.6 | Very high | 87.7 | Confident | 70 Ų | 70 | 75.8 Ų | 75.8 | 49% | 0.49 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.5 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | V67 G68 V69 Y74 A75 | V67-S71 WeakPolarHBondContact O-CB 3.22Å; V67-S71 PolarHBondContact O-N 2.88Å; V67-S71 PolarHBondContact O-OG 3.25Å; G68-S71 PolarHBondContact O-N 2.9Å; V69-S71 PolarHBondContact O-N 3.25Å; S71-Y74 PolarHBondContact O-N 2.76Å; S71-A75 WeakPolarHBondContact O-CB 3.48Å; S71-A75 PolarHBondContact O-N 2.92Å |
| 72 | T | 88.9 | Confident | 87.4 | Confident | 41 Ų | 41 | 76 Ų | 76 | 25% | 0.252 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 175.3 | 54.5 | 0 | 0 | 0 | 0 | 112.1 | G68 V69 Y74 A75 K76 I77 P79 | G68-T72 WeakPolarHBondContact O-CG2 3.38Å; G68-T72 PolarHBondContact O-N 3.48Å; G68-T72 PolarHBondContact O-OG1 3.4Å; V69-T72 WeakPolarHBondContact CA-OG1 3.45Å; V69-T72 PolarHBondContact O-N 3Å; V69-T72 PolarHBondContact O-OG1 3.32Å; T72-Y74 VanDerWaalsContact C-N 3.34Å; T72-Y74 PolarHBondContact O-N 3.28Å; T72-A75 CarbonylContact O-C 3.44Å; T72-A75 PolarHBondContact O-N 3.44Å; T72-K76 PolarHBondContact O-N 3.44Å; T72-K76 VanDerWaalsContact O-N 3.17Å; T72-I77 CarbonylContact C-O 3.6Å; T72-I77 PolarHBondContact O-N 3.15Å; T72-P79 WeakPolarHBondContact OG1-CD 3.01Å; T72-P79 VanDerWaalsContact OG1-CG 3.29Å; T72-P79 WeakPolarHBondContact OG1-CG 3.29Å |
| 73 | M | 84.6 | Confident | 87.1 | Confident | 43 Ų | 43 | 76 Ų | 76 | 21% | 0.212 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 174.3 | -70.7 | -180 | 66.4 | 0 | 0 | 111.9 | V69 M70 A75 K76 I84 N103 G107 | V69-M73 HydrophobicContact CG1-SD 4.17Å; V69-M73 WeakPolarHBondContact O-CG 3.42Å; V69-M73 PolarHBondContact O-N 3.35Å; M70-M73 PolarHBondContact O-N 3.29Å; M70-M73 HydrophobicContact SD-SD 4.15Å; M73-A75 VanDerWaalsContact C-N 3.31Å; M73-A75 PolarHBondContact O-N 3.34Å; M73-K76 PolarHBondContact O-N 3.16Å; M73-I84 HydrophobicContact CE-CG2 3.69Å; M73-I84 HydrophobicContact CG-CD1 4.16Å; M73-I84 HydrophobicContact SD-CD1 3.92Å; M73-I84 HydrophobicContact SD-CG2 4.05Å; M73-N103 HydrophobicContact CE-CB 4.37Å; M73-N103 WeakPolarHBondContact CE-O 3.25Å; M73-G107 VanDerWaalsContact SD-CA 3.51Å |
| 74 | Y | 85.3 | Confident | 86.8 | Confident | 213 Ų | 213 | 71.7 Ų | 71.7 | 84% | 0.835 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -64.7 | -36.9 | 176 | -168.4 | -95.5 | 0 | 0 | 0 | 112 | M70 S71 T72 K76 | M70-Y74 PolarHBondContact O-N 3.16Å; S71-Y74 PolarHBondContact O-N 2.76Å; T72-Y74 VanDerWaalsContact C-N 3.34Å; T72-Y74 PolarHBondContact O-N 3.28Å; Y74-K76 PolarHBondContact O-N 3.35Å |
| 75 | A | 87.6 | Confident | 86.4 | Confident | 61 Ų | 61 | 68.1 Ų | 68.1 | 50% | 0.504 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 3.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114 | S71 T72 M73 I77 | S71-A75 WeakPolarHBondContact O-CB 3.48Å; S71-A75 PolarHBondContact O-N 2.92Å; T72-A75 CarbonylContact O-C 3.44Å; T72-A75 PolarHBondContact O-N 3.44Å; M73-A75 VanDerWaalsContact C-N 3.31Å; M73-A75 PolarHBondContact O-N 3.34Å; A75-I77 HydrophobicContact CB-CD1 4.36Å; A75-I77 HydrophobicContact CB-CG1 4.46Å; A75-I77 PolarHBondContact O-N 2.72Å |
| 76 | K | 83.4 | Confident | 86.1 | Confident | 200 Ų | 200 | 73.9 Ų | 73.9 | 87% | 0.87 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 28.3 | -176.5 | -55.3 | -178 | 179.5 | 179.1 | 0 | 114.1 | T72 M73 Y74 | T72-K76 PolarHBondContact O-N 3.44Å; T72-K76 VanDerWaalsContact O-N 3.17Å; M73-K76 PolarHBondContact O-N 3.16Å; Y74-K76 PolarHBondContact O-N 3.35Å |
| 77 | I | 83.4 | Confident | 85.8 | Confident | 107 Ų | 107 | 75.4 Ų | 75.4 | 55% | 0.549 | 41% | 0.411 | S | S | . | . | trans | -104.6 | 124 | 172.5 | -60.2 | 171.4 | 0 | 0 | 0 | 107 | T72 A75 P79 | T72-I77 CarbonylContact C-O 3.6Å; T72-I77 PolarHBondContact O-N 3.15Å; A75-I77 HydrophobicContact CB-CD1 4.36Å; A75-I77 HydrophobicContact CB-CG1 4.46Å; A75-I77 PolarHBondContact O-N 2.72Å; I77-P79 WeakPolarHBondContact O-CD 3.42Å | ||
| 78 | D | 78.7 | Confident | 85.4 | Confident | 73 Ų | 73 | 73 Ų | 73 | 39% | 0.39 | 40% | 0.396 | S | S | . | . | trans | -93.8 | 101.5 | 177 | -176.5 | 9.2 | 0 | 0 | 0 | 111.1 | S80 G82 | D78-S80 PolarHBondContact O-N 3.02Å; D78-S80 WeakPolarHBondContact OD1-CA 3.32Å; D78-S80 VanDerWaalsContact OD1-CB 3.25Å; D78-S80 WeakPolarHBondContact OD1-CB 3.38Å; D78-S80 PolarHBondContact OD1-N 2.64Å; D78-S80 PolarHBondContact OD1-OG 3.33Å; D78-S80 PolarHBondContact OD2-OG 3.05Å; D78-G82 VanDerWaalsContact OD2-CA 3.28Å; D78-G82 WeakPolarHBondContact OD2-CA 3.38Å; D78-G82 PolarHBondContact OD2-N 3.49Å | ||
| 79 | P | 77.1 | Confident | 85 | Confident | 63 Ų | 63 | 80.7 Ų | 80.7 | 41% | 0.409 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -8.6 | 177.2 | 36.7 | -40.9 | 0 | 0 | 0 | 112.6 | T72 I77 | T72-P79 WeakPolarHBondContact OG1-CD 3.01Å; T72-P79 VanDerWaalsContact OG1-CG 3.29Å; T72-P79 WeakPolarHBondContact OG1-CG 3.29Å; I77-P79 WeakPolarHBondContact O-CD 3.42Å |
| 80 | S | 82.3 | Confident | 84.5 | Confident | 4 Ų | 4 | 84.6 Ų | 84.6 | 3% | 0.028 | 44% | 0.438 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -0.3 | -171.5 | 79.3 | 0 | 0 | 0 | 0 | 114.1 | D78 G82 I83 I84 F110 | D78-S80 PolarHBondContact O-N 3.02Å; D78-S80 WeakPolarHBondContact OD1-CA 3.32Å; D78-S80 VanDerWaalsContact OD1-CB 3.25Å; D78-S80 WeakPolarHBondContact OD1-CB 3.38Å; D78-S80 PolarHBondContact OD1-N 2.64Å; D78-S80 PolarHBondContact OD1-OG 3.33Å; D78-S80 PolarHBondContact OD2-OG 3.05Å; S80-G82 VanDerWaalsContact C-N 3.26Å; S80-G82 PolarHBondContact O-N 3.14Å; S80-I83 WeakPolarHBondContact O-CB 3.3Å; S80-I83 WeakPolarHBondContact O-CD1 3.32Å; S80-I83 VanDerWaalsContact O-CG1 3.27Å; S80-I83 WeakPolarHBondContact O-CG1 3.42Å; S80-I83 PolarHBondContact O-N 3.45Å; S80-I83 PolarHBondContact OG-N 3.4Å; S80-I84 WeakPolarHBondContact OG-CB 3.44Å; S80-I84 WeakPolarHBondContact OG-CD1 3.32Å; S80-I84 VanDerWaalsContact OG-CG1 3.28Å; S80-I84 WeakPolarHBondContact OG-CG1 3.08Å; S80-I84 PolarHBondContact OG-N 2.86Å; S80-F110 VanDerWaalsContact CB-CE2 3.49Å |
| 81 | L | 84.5 | Confident | 84.1 | Confident | 168 Ų | 168 | 83.8 Ų | 83.8 | 88% | 0.88 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 42.4 | -176.4 | -55.9 | 173.5 | 0 | 0 | 0 | 112.3 | ||
| 82 | G | 83.3 | Confident | 83.1 | Confident | 33 Ų | 33 | 84.9 Ų | 84.9 | 34% | 0.34 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.7 | -2.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | D78 S80 A85 K86 | D78-G82 VanDerWaalsContact OD2-CA 3.28Å; D78-G82 WeakPolarHBondContact OD2-CA 3.38Å; D78-G82 PolarHBondContact OD2-N 3.49Å; S80-G82 VanDerWaalsContact C-N 3.26Å; S80-G82 PolarHBondContact O-N 3.14Å; G82-A85 PolarHBondContact O-N 3.19Å; G82-K86 PolarHBondContact O-N 2.81Å; G82-K86 VanDerWaalsContact O-N 3.14Å |
| 83 | I | 86.3 | Confident | 81.8 | Confident | 88 Ų | 88 | 88.7 Ų | 88.7 | 45% | 0.451 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 179.9 | -65 | 170 | 0 | 0 | 0 | 111.4 | S80 A85 K86 I87 F110 | S80-I83 WeakPolarHBondContact O-CB 3.3Å; S80-I83 WeakPolarHBondContact O-CD1 3.32Å; S80-I83 VanDerWaalsContact O-CG1 3.27Å; S80-I83 WeakPolarHBondContact O-CG1 3.42Å; S80-I83 PolarHBondContact O-N 3.45Å; S80-I83 PolarHBondContact OG-N 3.4Å; I83-A85 VanDerWaalsContact C-N 3.29Å; I83-A85 PolarHBondContact O-N 3.46Å; I83-K86 WeakPolarHBondContact O-CB 3.38Å; I83-K86 PolarHBondContact O-N 2.81Å; I83-K86 VanDerWaalsContact O-N 3.1Å; I83-I87 HydrophobicContact CG2-CD1 3.98Å; I83-I87 HydrophobicContact CG2-CG1 4.39Å; I83-I87 WeakPolarHBondContact O-CG1 3.43Å; I83-I87 PolarHBondContact O-N 3.43Å; I83-F110 HydrophobicContact CB-CD2 4.21Å; I83-F110 HydrophobicContact CB-CE2 4.12Å; I83-F110 HydrophobicContact CD1-CE2 4.23Å; I83-F110 HydrophobicContact CG2-CD2 3.77Å; I83-F110 HydrophobicContact CG2-CE2 4.04Å |
| 84 | I | 85.4 | Confident | 80.8 | Confident | 9 Ų | 9 | 89.6 Ų | 89.6 | 5% | 0.046 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 177.4 | -70.7 | 164.5 | 0 | 0 | 0 | 110.5 | V69 M73 S80 K86 I87 N88 F110 | V69-I84 HydrophobicContact CG1-CD1 3.99Å; M73-I84 HydrophobicContact CE-CG2 3.69Å; M73-I84 HydrophobicContact CG-CD1 4.16Å; M73-I84 HydrophobicContact SD-CD1 3.92Å; M73-I84 HydrophobicContact SD-CG2 4.05Å; S80-I84 WeakPolarHBondContact OG-CB 3.44Å; S80-I84 WeakPolarHBondContact OG-CD1 3.32Å; S80-I84 VanDerWaalsContact OG-CG1 3.28Å; S80-I84 WeakPolarHBondContact OG-CG1 3.08Å; S80-I84 PolarHBondContact OG-N 2.86Å; I84-K86 VanDerWaalsContact C-N 3.3Å; I84-K86 PolarHBondContact O-N 2.77Å; I84-I87 PolarHBondContact O-N 3.27Å; I84-N88 WeakPolarHBondContact O-CB 3.27Å; I84-N88 PolarHBondContact O-N 3.3Å; I84-F110 HydrophobicContact CD1-CB 4.27Å; I84-F110 HydrophobicContact CD1-CD1 3.74Å; I84-F110 HydrophobicContact CD1-CE1 4.33Å; I84-F110 HydrophobicContact CD1-CG 4.04Å; I84-F110 HydrophobicContact CG1-CB 3.58Å; I84-F110 HydrophobicContact CG1-CD1 3.84Å; I84-F110 HydrophobicContact CG1-CD2 4.18Å; I84-F110 HydrophobicContact CG1-CG 3.58Å |
| 85 | A | 84.4 | Confident | 79.8 | Confident | 48 Ų | 48 | 82.8 Ų | 82.8 | 40% | 0.397 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | G82 I83 N88 R89 | G82-A85 PolarHBondContact O-N 3.19Å; I83-A85 VanDerWaalsContact C-N 3.29Å; I83-A85 PolarHBondContact O-N 3.46Å; A85-N88 PolarHBondContact O-N 3.49Å; A85-R89 WeakPolarHBondContact O-CG 3.05Å; A85-R89 PolarHBondContact O-N 3.11Å |
| 86 | K | 85.6 | Confident | 78.9 | Confident | 151 Ų | 151 | 90.4 Ų | 90.4 | 66% | 0.657 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -68.1 | -41.5 | 175.5 | -169.5 | 175.2 | -177.9 | 177.6 | 0 | 112.4 | G82 I83 I84 N88 R89 T90 | G82-K86 PolarHBondContact O-N 2.81Å; G82-K86 VanDerWaalsContact O-N 3.14Å; I83-K86 WeakPolarHBondContact O-CB 3.38Å; I83-K86 PolarHBondContact O-N 2.81Å; I83-K86 VanDerWaalsContact O-N 3.1Å; I84-K86 VanDerWaalsContact C-N 3.3Å; I84-K86 PolarHBondContact O-N 2.77Å; K86-N88 VanDerWaalsContact C-N 3.33Å; K86-R89 PolarHBondContact O-N 2.77Å; K86-T90 PolarHBondContact O-N 3.17Å; K86-T90 VanDerWaalsContact O-N 3.16Å; K86-T90 PolarHBondContact O-OG1 3.13Å |
| 87 | I | 85.6 | Confident | 78.6 | Confident | 42 Ų | 42 | 83.6 Ų | 83.6 | 22% | 0.215 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 173.5 | -66.1 | 166.8 | 0 | 0 | 0 | 109.5 | I83 I84 R89 T90 L91 L109 F110 | I83-I87 HydrophobicContact CG2-CD1 3.98Å; I83-I87 HydrophobicContact CG2-CG1 4.39Å; I83-I87 WeakPolarHBondContact O-CG1 3.43Å; I83-I87 PolarHBondContact O-N 3.43Å; I84-I87 PolarHBondContact O-N 3.27Å; I87-R89 PolarHBondContact O-N 2.91Å; I87-T90 WeakPolarHBondContact O-CB 3.23Å; I87-T90 PolarHBondContact O-N 3Å; I87-L91 HydrophobicContact CG2-CD1 4.07Å; I87-L91 HydrophobicContact CG2-CG 4.39Å; I87-L91 WeakPolarHBondContact O-CG 3.44Å; I87-L91 PolarHBondContact O-N 2.9Å; I87-L109 HydrophobicContact CG2-CB 4.48Å; I87-L109 HydrophobicContact CG2-CD1 4Å; I87-F110 HydrophobicContact CD1-CB 4.08Å |
| 88 | N | 84.1 | Confident | 78.5 | Confident | 25 Ų | 25 | 81.7 Ų | 81.7 | 13% | 0.134 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -56.2 | -52 | 178.6 | -173.2 | -42.9 | 0 | 0 | 0 | 111.4 | I84 A85 K86 T90 L91 D92 N103 S106 | I84-N88 WeakPolarHBondContact O-CB 3.27Å; I84-N88 PolarHBondContact O-N 3.3Å; A85-N88 PolarHBondContact O-N 3.49Å; K86-N88 VanDerWaalsContact C-N 3.33Å; N88-T90 PolarHBondContact O-N 3.36Å; N88-T90 VanDerWaalsContact O-N 3.14Å; N88-L91 WeakPolarHBondContact O-CB 3.2Å; N88-L91 PolarHBondContact O-N 3.09Å; N88-D92 PolarHBondContact O-N 3.16Å; N88-N103 PolarHBondContact ND2-OD1 2.79Å; N88-S106 WeakPolarHBondContact CA-OG 3.39Å; N88-S106 WeakPolarHBondContact CB-OG 3.24Å; N88-S106 PolarHBondContact N-OG 3.13Å |
| 89 | R | 83.3 | Confident | 78.5 | Confident | 195 Ų | 195 | 83.8 Ų | 83.8 | 74% | 0.736 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -57 | -31.2 | 176.2 | -72.3 | 177.7 | -174.5 | 179.8 | 2.1 | 113.7 | A85 K86 I87 | A85-R89 WeakPolarHBondContact O-CG 3.05Å; A85-R89 PolarHBondContact O-N 3.11Å; K86-R89 PolarHBondContact O-N 2.77Å; I87-R89 PolarHBondContact O-N 2.91Å |
| 90 | T | 81.7 | Confident | 78.6 | Confident | 91 Ų | 91 | 88.2 Ų | 88.2 | 56% | 0.558 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -75.4 | -38.8 | 177.7 | -47.6 | 0 | 0 | 0 | 0 | 110.9 | K86 I87 N88 D92 T93 | K86-T90 PolarHBondContact O-N 3.17Å; K86-T90 VanDerWaalsContact O-N 3.16Å; K86-T90 PolarHBondContact O-OG1 3.13Å; I87-T90 WeakPolarHBondContact O-CB 3.23Å; I87-T90 PolarHBondContact O-N 3Å; N88-T90 PolarHBondContact O-N 3.36Å; N88-T90 VanDerWaalsContact O-N 3.14Å; T90-D92 VanDerWaalsContact C-N 3.29Å; T90-D92 PolarHBondContact O-N 2.78Å; T90-T93 PolarHBondContact O-N 2.65Å; T90-T93 PolarHBondContact O-OG1 2.98Å |
| 91 | L | 80.2 | Confident | 78.7 | Confident | 35 Ų | 35 | 91 Ų | 91 | 18% | 0.183 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -68.2 | -28.6 | 175.2 | -68.1 | 174.4 | 0 | 0 | 0 | 112.6 | I87 N88 T93 T94 M97 V105 L109 | I87-L91 HydrophobicContact CG2-CD1 4.07Å; I87-L91 HydrophobicContact CG2-CG 4.39Å; I87-L91 WeakPolarHBondContact O-CG 3.44Å; I87-L91 PolarHBondContact O-N 2.9Å; N88-L91 WeakPolarHBondContact O-CB 3.2Å; N88-L91 PolarHBondContact O-N 3.09Å; L91-T93 PolarHBondContact O-N 3.39Å; L91-T94 WeakPolarHBondContact O-CB 3.18Å; L91-T94 PolarHBondContact O-N 3.38Å; L91-T94 VanDerWaalsContact O-N 3.07Å; L91-T94 PolarHBondContact O-OG1 2.91Å; L91-M97 HydrophobicContact CB-CE 3.92Å; L91-M97 HydrophobicContact CD1-CE 4.44Å; L91-M97 HydrophobicContact CD2-CE 4.19Å; L91-M97 HydrophobicContact CG-CE 4.41Å; L91-V105 HydrophobicContact CD1-CB 4.22Å; L91-V105 HydrophobicContact CD1-CG1 3.78Å; L91-L109 HydrophobicContact CD1-CD1 4.2Å |
| 92 | D | 69.3 | Low | 78.5 | Confident | 92 Ų | 92 | 83.3 Ų | 83.3 | 49% | 0.492 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.8 | -30.5 | 178.6 | -159 | 29.9 | 0 | 0 | 0 | 112.9 | N88 T90 T94 G95 Q102 | N88-D92 PolarHBondContact O-N 3.16Å; T90-D92 VanDerWaalsContact C-N 3.29Å; T90-D92 PolarHBondContact O-N 2.78Å; D92-T94 PolarHBondContact O-N 2.9Å; D92-G95 PolarHBondContact O-N 2.73Å; D92-Q102 PolarHBondContact OD1-NE2 3.25Å |
| 93 | T | 61.8 | Low | 78.5 | Confident | 121 Ų | 121 | 85.2 Ų | 85.2 | 74% | 0.742 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -10.4 | 175.6 | 63.3 | 0 | 0 | 0 | 0 | 114.6 | T90 L91 | T90-T93 PolarHBondContact O-N 2.65Å; T90-T93 PolarHBondContact O-OG1 2.98Å; L91-T93 PolarHBondContact O-N 3.39Å |
| 94 | T | 62.6 | Low | 78.6 | Confident | 63 Ų | 63 | 85 Ų | 85 | 39% | 0.387 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -17.2 | 179 | 65.1 | 0 | 0 | 0 | 0 | 113.6 | L91 D92 Y96 | L91-T94 WeakPolarHBondContact O-CB 3.18Å; L91-T94 PolarHBondContact O-N 3.38Å; L91-T94 VanDerWaalsContact O-N 3.07Å; L91-T94 PolarHBondContact O-OG1 2.91Å; D92-T94 PolarHBondContact O-N 2.9Å; T94-Y96 WeakPolarHBondContact O-CD2 3.36Å; T94-Y96 VanDerWaalsContact O-CE2 3.29Å; T94-Y96 WeakPolarHBondContact O-CE2 3.34Å; T94-Y96 PolarHBondContact O-N 3.15Å |
| 95 | G | 65.6 | Low | 78.7 | Confident | 69 Ų | 69 | 86.7 Ų | 86.7 | 71% | 0.711 | 46% | 0.461 | S | S | * | . | trans | 65.5 | -5.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | D92 | D92-G95 PolarHBondContact O-N 2.73Š| ||
| 96 | Y | 68.8 | Low | 78.9 | Confident | 221 Ų | 221 | 84.4 Ų | 84.4 | 87% | 0.867 | 44% | 0.442 | S | S | * | . | trans | -98.4 | 2.8 | -172.7 | -66.3 | -72.3 | 0 | 0 | 0 | 115.3 | T94 | T94-Y96 WeakPolarHBondContact O-CD2 3.36Å; T94-Y96 VanDerWaalsContact O-CE2 3.29Å; T94-Y96 WeakPolarHBondContact O-CE2 3.34Å; T94-Y96 PolarHBondContact O-N 3.15Å | ||
| 97 | M | 76.1 | Confident | 79 | Confident | 58 Ų | 58 | 77.2 Ų | 77.2 | 29% | 0.286 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -129.7 | 143 | -171.8 | -67.1 | -172.2 | -73 | 0 | 0 | 113.3 | L91 T101 Q102 V105 | L91-M97 HydrophobicContact CB-CE 3.92Å; L91-M97 HydrophobicContact CD1-CE 4.44Å; L91-M97 HydrophobicContact CD2-CE 4.19Å; L91-M97 HydrophobicContact CG-CE 4.41Å; M97-T101 HydrophobicContact CB-CG2 4.44Å; M97-T101 HydrophobicContact CG-CG2 4.41Å; M97-T101 HydrophobicContact SD-CG2 4.25Å; M97-Q102 HydrophobicContact CB-CG 3.78Å; M97-Q102 HydrophobicContact CE-CG 4.38Å; M97-Q102 PolarHBondContact O-NE2 3.14Å; M97-V105 HydrophobicContact SD-CG2 4.3Å |
| 98 | S | 81.9 | Confident | 79.3 | Confident | 66 Ų | 66 | 78.2 Ų | 78.2 | 46% | 0.462 | 42% | 0.416 | S | S | . | . | trans | -72.5 | 154 | 172.5 | 69.5 | 0 | 0 | 0 | 0 | 112.4 | Q100 T101 Q102 | S98-Q100 PolarHBondContact O-N 3.29Å; S98-Q100 VanDerWaalsContact O-N 3.13Å; S98-T101 WeakPolarHBondContact O-CA 3.49Å; S98-T101 WeakPolarHBondContact O-CB 3.34Å; S98-T101 PolarHBondContact O-N 3.08Å; S98-T101 PolarHBondContact OG-N 2.86Å; S98-T101 PolarHBondContact OG-OG1 3.06Å; S98-Q102 WeakPolarHBondContact O-CG 3.16Å; S98-Q102 PolarHBondContact O-N 3.29Å | ||
| 99 | N | 77.9 | Confident | 79.6 | Confident | 117 Ų | 117 | 81.3 Ų | 81.3 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -53.7 | -36 | -179.9 | -69.1 | 2 | 0 | 0 | 0 | 113.8 | N103 | N99-N103 PolarHBondContact O-N 2.88Å; N99-N103 VanDerWaalsContact O-N 3.15Å; N99-N103 PolarHBondContact O-ND2 3.33Å |
| 100 | Q | 80.3 | Confident | 80.1 | Confident | 156 Ų | 156 | 73.3 Ų | 73.3 | 73% | 0.729 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.8 | -44 | 175.4 | -72.4 | -178.8 | -14.4 | 0 | 0 | 111.4 | S98 N103 I104 | S98-Q100 PolarHBondContact O-N 3.29Å; S98-Q100 VanDerWaalsContact O-N 3.13Å; Q100-N103 PolarHBondContact O-N 2.85Å; Q100-I104 WeakPolarHBondContact O-CG1 3.36Å; Q100-I104 PolarHBondContact O-N 3.02Å; Q100-I104 VanDerWaalsContact O-N 3.1Å |
| 101 | T | 83.1 | Confident | 80.6 | Confident | 62 Ų | 62 | 69 Ų | 69 | 38% | 0.38 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 177.4 | -52.4 | 0 | 0 | 0 | 0 | 110.8 | M97 S98 N103 I104 V105 | M97-T101 HydrophobicContact CB-CG2 4.44Å; M97-T101 HydrophobicContact CG-CG2 4.41Å; M97-T101 HydrophobicContact SD-CG2 4.25Å; S98-T101 WeakPolarHBondContact O-CA 3.49Å; S98-T101 WeakPolarHBondContact O-CB 3.34Å; S98-T101 PolarHBondContact O-N 3.08Å; S98-T101 PolarHBondContact OG-N 2.86Å; S98-T101 PolarHBondContact OG-OG1 3.06Å; T101-N103 VanDerWaalsContact C-N 3.34Å; T101-N103 PolarHBondContact O-N 3.45Å; T101-I104 PolarHBondContact O-N 2.69Å; T101-V105 HydrophobicContact CG2-CG2 4.25Å; T101-V105 VanDerWaalsContact O-CG2 3.29Å; T101-V105 WeakPolarHBondContact O-CG2 3.48Å; T101-V105 PolarHBondContact O-N 3.35Å |
| 102 | Q | 81.9 | Confident | 81.2 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 3% | 0.033 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.5 | -43 | 177.1 | -70 | 175 | -14.9 | 0 | 0 | 112.3 | D92 M97 S98 S106 | D92-Q102 PolarHBondContact OD1-NE2 3.25Å; M97-Q102 HydrophobicContact CB-CG 3.78Å; M97-Q102 HydrophobicContact CE-CG 4.38Å; M97-Q102 PolarHBondContact O-NE2 3.14Å; S98-Q102 WeakPolarHBondContact O-CG 3.16Å; S98-Q102 PolarHBondContact O-N 3.29Å; Q102-S106 VanDerWaalsContact O-CB 3.27Å; Q102-S106 WeakPolarHBondContact O-CB 3.5Å; Q102-S106 PolarHBondContact O-N 3.12Å; Q102-S106 PolarHBondContact O-OG 2.88Å |
| 103 | N | 83.3 | Confident | 82.3 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 40% | 0.396 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 176.3 | -80.5 | -40.8 | 0 | 0 | 0 | 112 | M73 N88 N99 Q100 T101 S106 G107 | M73-N103 HydrophobicContact CE-CB 4.37Å; M73-N103 WeakPolarHBondContact CE-O 3.25Å; N88-N103 PolarHBondContact ND2-OD1 2.79Å; N99-N103 PolarHBondContact O-N 2.88Å; N99-N103 VanDerWaalsContact O-N 3.15Å; N99-N103 PolarHBondContact O-ND2 3.33Å; Q100-N103 PolarHBondContact O-N 2.85Å; T101-N103 VanDerWaalsContact C-N 3.34Å; T101-N103 PolarHBondContact O-N 3.45Å; N103-S106 PolarHBondContact O-N 3.24Å; N103-G107 PolarHBondContact O-N 3.45Å |
| 104 | I | 87.4 | Confident | 83.8 | Confident | 83 Ų | 83 | 64.6 Ų | 64.6 | 43% | 0.426 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63 | -48.5 | 177.3 | -66.8 | 166.8 | 0 | 0 | 0 | 110.8 | M70 Q100 T101 S106 G107 I108 | M70-I104 HydrophobicContact CE-CB 4.25Å; M70-I104 HydrophobicContact CE-CG1 3.92Å; M70-I104 HydrophobicContact CE-CG2 4.28Å; Q100-I104 WeakPolarHBondContact O-CG1 3.36Å; Q100-I104 PolarHBondContact O-N 3.02Å; Q100-I104 VanDerWaalsContact O-N 3.1Å; T101-I104 PolarHBondContact O-N 2.69Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 2.99Å; I104-G107 PolarHBondContact O-N 3.01Å; I104-I108 HydrophobicContact CG2-CD1 3.75Å; I104-I108 HydrophobicContact CG2-CG1 4.44Å; I104-I108 WeakPolarHBondContact O-CG1 3.5Å; I104-I108 PolarHBondContact O-N 3.04Å |
| 105 | V | 87.5 | Confident | 85.3 | Confident | 45 Ų | 45 | 63 Ų | 63 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 178.7 | 176 | 0 | 0 | 0 | 0 | 110.9 | L91 M97 T101 G107 I108 L109 | L91-V105 HydrophobicContact CD1-CB 4.22Å; L91-V105 HydrophobicContact CD1-CG1 3.78Å; M97-V105 HydrophobicContact SD-CG2 4.3Å; T101-V105 HydrophobicContact CG2-CG2 4.25Å; T101-V105 VanDerWaalsContact O-CG2 3.29Å; T101-V105 WeakPolarHBondContact O-CG2 3.48Å; T101-V105 PolarHBondContact O-N 3.35Å; V105-G107 PolarHBondContact O-N 2.84Å; V105-I108 PolarHBondContact O-N 3.33Å; V105-L109 HydrophobicContact CG1-CD1 3.89Å; V105-L109 HydrophobicContact CG1-CG 4.19Å; V105-L109 WeakPolarHBondContact O-CB 3.44Å; V105-L109 VanDerWaalsContact O-CG 3.29Å; V105-L109 WeakPolarHBondContact O-CG 3.43Å; V105-L109 PolarHBondContact O-N 3.29Å |
| 106 | S | 87.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | 177.7 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | N88 Q102 N103 I104 L109 F110 | N88-S106 WeakPolarHBondContact CA-OG 3.39Å; N88-S106 WeakPolarHBondContact CB-OG 3.24Å; N88-S106 PolarHBondContact N-OG 3.13Å; Q102-S106 VanDerWaalsContact O-CB 3.27Å; Q102-S106 WeakPolarHBondContact O-CB 3.5Å; Q102-S106 PolarHBondContact O-N 3.12Å; Q102-S106 PolarHBondContact O-OG 2.88Å; N103-S106 PolarHBondContact O-N 3.24Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 2.99Å; S106-L109 PolarHBondContact O-N 2.89Å; S106-F110 WeakPolarHBondContact O-CB 3.36Å; S106-F110 PolarHBondContact O-N 2.89Å |
| 107 | G | 89.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | M73 N103 I104 V105 G111 | M73-G107 VanDerWaalsContact SD-CA 3.51Å; N103-G107 PolarHBondContact O-N 3.45Å; I104-G107 PolarHBondContact O-N 3.01Å; V105-G107 PolarHBondContact O-N 2.84Å; G107-G111 PolarHBondContact O-N 3.24Å |
| 108 | I | 91.4 | Very high | 88.4 | Confident | 63 Ų | 63 | 56 Ų | 56 | 32% | 0.323 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 175.9 | -68 | 169.5 | 0 | 0 | 0 | 111.2 | W62 V66 I104 V105 G111 T112 | W62-I108 HydrophobicContact CZ2-CG2 4.42Å; V66-I108 HydrophobicContact CG1-CG1 4.03Å; I104-I108 HydrophobicContact CG2-CD1 3.75Å; I104-I108 HydrophobicContact CG2-CG1 4.44Å; I104-I108 WeakPolarHBondContact O-CG1 3.5Å; I104-I108 PolarHBondContact O-N 3.04Å; V105-I108 PolarHBondContact O-N 3.33Å; I108-G111 PolarHBondContact O-N 2.93Å; I108-T112 VanDerWaalsContact O-CB 3.26Å; I108-T112 WeakPolarHBondContact O-CB 3.45Å; I108-T112 PolarHBondContact O-N 3.09Å; I108-T112 PolarHBondContact O-OG1 3.21Å |
| 109 | L | 90.9 | Very high | 88.9 | Confident | 89 Ų | 89 | 53.5 Ų | 53.5 | 47% | 0.466 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.6 | -47.5 | 178.4 | -74.5 | 175.4 | 0 | 0 | 0 | 111.1 | I87 L91 V105 S106 T112 G113 | I87-L109 HydrophobicContact CG2-CB 4.48Å; I87-L109 HydrophobicContact CG2-CD1 4Å; L91-L109 HydrophobicContact CD1-CD1 4.2Å; V105-L109 HydrophobicContact CG1-CD1 3.89Å; V105-L109 HydrophobicContact CG1-CG 4.19Å; V105-L109 WeakPolarHBondContact O-CB 3.44Å; V105-L109 VanDerWaalsContact O-CG 3.29Å; V105-L109 WeakPolarHBondContact O-CG 3.43Å; V105-L109 PolarHBondContact O-N 3.29Å; S106-L109 PolarHBondContact O-N 2.89Å; L109-T112 PolarHBondContact O-N 3.41Å; L109-G113 PolarHBondContact O-N 2.93Å |
| 110 | F | 93.1 | Very high | 89.5 | Confident | 28 Ų | 28 | 52 Ų | 52 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -62.4 | -49.1 | 175.7 | 178.2 | -98.9 | 0 | 0 | 0 | 111.7 | V69 S80 I83 I84 I87 S106 T112 G113 L114 | V69-F110 HydrophobicContact CG1-CD1 3.98Å; V69-F110 HydrophobicContact CG2-CD1 4.12Å; V69-F110 HydrophobicContact CG2-CE1 4.26Å; S80-F110 VanDerWaalsContact CB-CE2 3.49Å; I83-F110 HydrophobicContact CB-CD2 4.21Å; I83-F110 HydrophobicContact CB-CE2 4.12Å; I83-F110 HydrophobicContact CD1-CE2 4.23Å; I83-F110 HydrophobicContact CG2-CD2 3.77Å; I83-F110 HydrophobicContact CG2-CE2 4.04Å; I84-F110 HydrophobicContact CD1-CB 4.27Å; I84-F110 HydrophobicContact CD1-CD1 3.74Å; I84-F110 HydrophobicContact CD1-CE1 4.33Å; I84-F110 HydrophobicContact CD1-CG 4.04Å; I84-F110 HydrophobicContact CG1-CB 3.58Å; I84-F110 HydrophobicContact CG1-CD1 3.84Å; I84-F110 HydrophobicContact CG1-CD2 4.18Å; I84-F110 HydrophobicContact CG1-CG 3.58Å; I87-F110 HydrophobicContact CD1-CB 4.08Å; S106-F110 WeakPolarHBondContact O-CB 3.36Å; S106-F110 PolarHBondContact O-N 2.89Å; F110-T112 VanDerWaalsContact C-N 3.28Å; F110-T112 PolarHBondContact O-N 3.39Å; F110-G113 PolarHBondContact O-N 3.4Å; F110-G113 VanDerWaalsContact O-N 3.15Å; F110-L114 HydrophobicContact CE1-CD2 4.16Å; F110-L114 WeakPolarHBondContact O-CB 3.41Å; F110-L114 PolarHBondContact O-N 3.39Å |
| 111 | G | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -37.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V65 G107 I108 W115 | V65-G111 WeakPolarHBondContact CG1-O 3.5Å; G107-G111 PolarHBondContact O-N 3.24Å; I108-G111 PolarHBondContact O-N 2.93Å; G111-W115 VanDerWaalsContact O-CB 3.31Å; G111-W115 WeakPolarHBondContact O-CB 3.45Å; G111-W115 PolarHBondContact O-N 3.45Å |
| 112 | T | 92.9 | Very high | 90.5 | Very high | 45 Ų | 45 | 48.5 Ų | 48.5 | 28% | 0.276 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.6 | -45.8 | 173.8 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | W62 I108 L109 F110 L114 W115 V116 | W62-T112 PolarHBondContact NE1-OG1 3.16Å; I108-T112 VanDerWaalsContact O-CB 3.26Å; I108-T112 WeakPolarHBondContact O-CB 3.45Å; I108-T112 PolarHBondContact O-N 3.09Å; I108-T112 PolarHBondContact O-OG1 3.21Å; L109-T112 PolarHBondContact O-N 3.41Å; F110-T112 VanDerWaalsContact C-N 3.28Å; F110-T112 PolarHBondContact O-N 3.39Å; T112-L114 PolarHBondContact O-N 3.5Å; T112-W115 PolarHBondContact O-N 3.31Å; T112-V116 WeakPolarHBondContact O-CG2 3.16Å; T112-V116 PolarHBondContact O-N 3.16Å |
| 113 | G | 92.8 | Very high | 90.9 | Very high | 42 Ų | 42 | 50.8 Ų | 50.8 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L109 F110 V116 A117 | L109-G113 PolarHBondContact O-N 2.93Å; F110-G113 PolarHBondContact O-N 3.4Å; F110-G113 VanDerWaalsContact O-N 3.15Å; G113-V116 PolarHBondContact O-N 3.11Å; G113-A117 WeakPolarHBondContact O-CB 3.45Å; G113-A117 PolarHBondContact O-N 2.73Å |
| 114 | L | 93.3 | Very high | 91.4 | Very high | 68 Ų | 68 | 54.1 Ų | 54.1 | 36% | 0.356 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.4 | -46.3 | 174.3 | 179.3 | 60.9 | 0 | 0 | 0 | 111.2 | V65 V69 F110 T112 V116 A117 L118 | V65-L114 HydrophobicContact CG1-CB 4.39Å; V65-L114 HydrophobicContact CG1-CD2 4.04Å; V65-L114 HydrophobicContact CG1-CG 4.24Å; V69-L114 HydrophobicContact CG2-CD2 4.4Å; F110-L114 HydrophobicContact CE1-CD2 4.16Å; F110-L114 WeakPolarHBondContact O-CB 3.41Å; F110-L114 PolarHBondContact O-N 3.39Å; T112-L114 PolarHBondContact O-N 3.5Å; L114-V116 PolarHBondContact O-N 3.27Å; L114-A117 PolarHBondContact O-N 3.47Å; L114-L118 HydrophobicContact CD1-CG 4.42Å; L114-L118 HydrophobicContact CG-CD1 4.24Å; L114-L118 WeakPolarHBondContact O-CB 3.32Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.47Å; L114-L118 PolarHBondContact O-N 2.72Å |
| 115 | W | 94.1 | Very high | 91.7 | Very high | 31 Ų | 31 | 52 Ų | 52 | 12% | 0.117 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 177.1 | 176.9 | 78.6 | 0 | 0 | 0 | 112.6 | V54 S61 W62 V65 G111 T112 L118 I119 | V54-W115 HydrophobicContact CB-CH2 4.06Å; V54-W115 HydrophobicContact CB-CZ2 4.19Å; V54-W115 HydrophobicContact CG1-CH2 3.62Å; V54-W115 HydrophobicContact CG1-CZ2 4.25Å; V54-W115 HydrophobicContact CG1-CZ3 4.46Å; S61-W115 PolarHBondContact OG-NE1 3.46Å; W62-W115 VanDerWaalsContact CA-CD1 3.47Å; W62-W115 HydrophobicContact CB-CD2 3.72Å; W62-W115 HydrophobicContact CB-CE3 4.22Å; W62-W115 HydrophobicContact CB-CG 4.05Å; W62-W115 HydrophobicContact CB-CH2 4.25Å; W62-W115 HydrophobicContact CB-CZ2 3.78Å; W62-W115 HydrophobicContact CB-CZ3 4.47Å; W62-W115 AromaticContact CD1-CD2 3.81Å; W62-W115 AromaticContact CD1-CE3 3.71Å; W62-W115 HydrophobicContact CG-CD2 4.18Å; W62-W115 HydrophobicContact CG-CE3 4.31Å; W62-W115 HydrophobicContact CG-CG 4.49Å; W62-W115 VanDerWaalsContact N-NE1 3.12Å; V65-W115 HydrophobicContact CB-CB 4.27Å; V65-W115 HydrophobicContact CG1-CB 4.17Å; V65-W115 HydrophobicContact CG2-CB 4.41Å; G111-W115 VanDerWaalsContact O-CB 3.31Å; G111-W115 WeakPolarHBondContact O-CB 3.45Å; G111-W115 PolarHBondContact O-N 3.45Å; T112-W115 PolarHBondContact O-N 3.31Å; W115-L118 PolarHBondContact O-N 3.42Å; W115-I119 HydrophobicContact CD2-CD1 3.56Å; W115-I119 HydrophobicContact CD2-CG1 4.48Å; W115-I119 HydrophobicContact CE3-CD1 3.8Å; W115-I119 HydrophobicContact CG-CD1 4.34Å; W115-I119 HydrophobicContact CH2-CD1 3.57Å; W115-I119 HydrophobicContact CZ2-CD1 3.27Å; W115-I119 HydrophobicContact CZ3-CD1 3.8Å; W115-I119 WeakPolarHBondContact O-CG1 3.36Å; W115-I119 PolarHBondContact O-N 3.05Å |
| 116 | V | 92.2 | Very high | 92.1 | Very high | 71 Ų | 71 | 49.8 Ų | 49.8 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 174 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | T112 G113 L114 L118 I119 V120 | T112-V116 WeakPolarHBondContact O-CG2 3.16Å; T112-V116 PolarHBondContact O-N 3.16Å; G113-V116 PolarHBondContact O-N 3.11Å; L114-V116 PolarHBondContact O-N 3.27Å; V116-L118 VanDerWaalsContact C-N 3.32Å; V116-L118 PolarHBondContact O-N 3.21Å; V116-I119 PolarHBondContact O-N 3.36Å; V116-V120 HydrophobicContact CG1-CG2 4.37Å; V116-V120 WeakPolarHBondContact O-CG2 3.38Å; V116-V120 PolarHBondContact O-N 3.35Å |
| 117 | A | 92 | Very high | 92.4 | Very high | 50 Ų | 50 | 52.3 Ų | 52.3 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G113 L114 V120 T121 | G113-A117 WeakPolarHBondContact O-CB 3.45Å; G113-A117 PolarHBondContact O-N 2.73Å; L114-A117 PolarHBondContact O-N 3.47Å; A117-V120 PolarHBondContact O-N 2.96Å; A117-T121 WeakPolarHBondContact O-CB 3.44Å; A117-T121 PolarHBondContact O-N 3.27Å; A117-T121 PolarHBondContact O-OG1 3.08Å |
| 118 | L | 91.3 | Very high | 92.7 | Very high | 80 Ų | 80 | 56.4 Ų | 56.4 | 42% | 0.419 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62 | -44.2 | 174.4 | -72 | 171.7 | 0 | 0 | 0 | 111.7 | V65 L114 W115 V116 T121 M122 | V65-L118 HydrophobicContact CG2-CD1 4.25Å; L114-L118 HydrophobicContact CD1-CG 4.42Å; L114-L118 HydrophobicContact CG-CD1 4.24Å; L114-L118 WeakPolarHBondContact O-CB 3.32Å; L114-L118 VanDerWaalsContact O-CG 3.28Å; L114-L118 WeakPolarHBondContact O-CG 3.47Å; L114-L118 PolarHBondContact O-N 2.72Å; W115-L118 PolarHBondContact O-N 3.42Å; V116-L118 VanDerWaalsContact C-N 3.32Å; V116-L118 PolarHBondContact O-N 3.21Å; L118-T121 PolarHBondContact O-N 3.38Å; L118-M122 WeakPolarHBondContact O-CB 3.38Å; L118-M122 VanDerWaalsContact O-CG 3.31Å; L118-M122 WeakPolarHBondContact O-CG 3.37Å; L118-M122 PolarHBondContact O-N 2.99Å |
| 119 | I | 91.3 | Very high | 92.9 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -49.2 | 176.6 | -73 | 169.1 | 0 | 0 | 0 | 111.4 | V54 A57 W115 V116 T121 M122 R123 | V54-I119 HydrophobicContact CB-CD1 3.96Å; V54-I119 HydrophobicContact CG1-CD1 4.42Å; A57-I119 HydrophobicContact CB-CD1 3.94Å; A57-I119 HydrophobicContact CB-CG1 3.51Å; W115-I119 HydrophobicContact CD2-CD1 3.56Å; W115-I119 HydrophobicContact CD2-CG1 4.48Å; W115-I119 HydrophobicContact CE3-CD1 3.8Å; W115-I119 HydrophobicContact CG-CD1 4.34Å; W115-I119 HydrophobicContact CH2-CD1 3.57Å; W115-I119 HydrophobicContact CZ2-CD1 3.27Å; W115-I119 HydrophobicContact CZ3-CD1 3.8Å; W115-I119 WeakPolarHBondContact O-CG1 3.36Å; W115-I119 PolarHBondContact O-N 3.05Å; V116-I119 PolarHBondContact O-N 3.36Å; I119-T121 PolarHBondContact O-N 3.43Å; I119-M122 PolarHBondContact O-N 2.97Å; I119-R123 VanDerWaalsContact O-CB 3.28Å; I119-R123 WeakPolarHBondContact O-CB 3.41Å; I119-R123 PolarHBondContact O-N 3.5Å |
| 120 | V | 90.4 | Very high | 93.2 | Very high | 85 Ų | 85 | 50.9 Ų | 50.9 | 52% | 0.515 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 179.8 | 171.5 | 0 | 0 | 0 | 0 | 109.8 | V116 A117 R123 Y124 | V116-V120 HydrophobicContact CG1-CG2 4.37Å; V116-V120 WeakPolarHBondContact O-CG2 3.38Å; V116-V120 PolarHBondContact O-N 3.35Å; A117-V120 PolarHBondContact O-N 2.96Å; V120-R123 PolarHBondContact O-N 2.91Å; V120-Y124 WeakPolarHBondContact O-CB 3.32Å; V120-Y124 PolarHBondContact O-N 2.99Å |
| 121 | T | 92.3 | Very high | 93.3 | Very high | 85 Ų | 85 | 52 Ų | 52 | 52% | 0.521 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.5 | -51.8 | 176 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | A117 L118 I119 R123 Y124 S125 | A117-T121 WeakPolarHBondContact O-CB 3.44Å; A117-T121 PolarHBondContact O-N 3.27Å; A117-T121 PolarHBondContact O-OG1 3.08Å; L118-T121 PolarHBondContact O-N 3.38Å; I119-T121 PolarHBondContact O-N 3.43Å; T121-R123 VanDerWaalsContact C-N 3.31Å; T121-R123 PolarHBondContact O-N 3.1Å; T121-Y124 PolarHBondContact O-N 3.16Å; T121-S125 WeakPolarHBondContact O-CB 3.13Å; T121-S125 PolarHBondContact O-N 2.85Å; T121-S125 PolarHBondContact O-OG 3.07Å; T121-S125 VanDerWaalsContact O-OG 3.05Å |
| 122 | M | 91.6 | Very high | 93.3 | Very high | 60 Ų | 60 | 56.2 Ų | 56.2 | 30% | 0.296 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 178.2 | -72.3 | -179.6 | 76.6 | 0 | 0 | 112.3 | P56 L118 I119 S125 L126 | P56-M122 HydrophobicContact CB-CE 4.37Å; P56-M122 HydrophobicContact CG-CB 3.73Å; P56-M122 HydrophobicContact CG-CE 3.92Å; L118-M122 WeakPolarHBondContact O-CB 3.38Å; L118-M122 VanDerWaalsContact O-CG 3.31Å; L118-M122 WeakPolarHBondContact O-CG 3.37Å; L118-M122 PolarHBondContact O-N 2.99Å; I119-M122 PolarHBondContact O-N 2.97Å; M122-S125 PolarHBondContact O-N 2.83Å; M122-L126 WeakPolarHBondContact O-CB 3.42Å; M122-L126 PolarHBondContact O-N 3.1Å |
| 123 | R | 91.6 | Very high | 93.3 | Very high | 56 Ų | 56 | 55.3 Ų | 55.3 | 21% | 0.211 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -45.7 | 176.9 | 177.4 | 176.9 | -63.5 | 168.2 | 4.3 | 111.4 | G53 Y55 I119 V120 T121 L126 K127 T169 | G53-R123 PolarHBondContact O-NH2 3.34Å; Y55-R123 PolarHBondContact O-NH2 3.33Å; I119-R123 VanDerWaalsContact O-CB 3.28Å; I119-R123 WeakPolarHBondContact O-CB 3.41Å; I119-R123 PolarHBondContact O-N 3.5Å; V120-R123 PolarHBondContact O-N 2.91Å; T121-R123 VanDerWaalsContact C-N 3.31Å; T121-R123 PolarHBondContact O-N 3.1Å; R123-L126 PolarHBondContact O-N 3.27Å; R123-K127 WeakPolarHBondContact O-CB 3.29Å; R123-K127 PolarHBondContact O-N 3.28Å; R123-T169 PolarHBondContact NE-OG1 2.79Å |
| 124 | Y | 92.6 | Very high | 93.2 | Very high | 144 Ų | 144 | 54.4 Ų | 54.4 | 57% | 0.565 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 177.9 | -172 | -96.5 | 0 | 0 | 0 | 111.1 | V120 T121 L126 K127 M128 | V120-Y124 WeakPolarHBondContact O-CB 3.32Å; V120-Y124 PolarHBondContact O-N 2.99Å; T121-Y124 PolarHBondContact O-N 3.16Å; Y124-L126 PolarHBondContact O-N 2.91Å; Y124-K127 WeakPolarHBondContact O-CB 3.32Å; Y124-K127 PolarHBondContact O-N 3.46Å; Y124-M128 HydrophobicContact CD1-CG 3.91Å; Y124-M128 HydrophobicContact CD2-CE 4.47Å; Y124-M128 HydrophobicContact CE1-CE 4.24Å; Y124-M128 HydrophobicContact CE1-CG 3.54Å; Y124-M128 HydrophobicContact CE1-SD 3.99Å; Y124-M128 HydrophobicContact CE2-CE 3.81Å; Y124-M128 WeakPolarHBondContact O-CG 3.35Å; Y124-M128 PolarHBondContact O-N 3.34Å |
| 125 | S | 94.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 52.1 Ų | 52.1 | 26% | 0.259 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58 | -48 | 173.6 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | T121 M122 K127 M128 L129 | T121-S125 WeakPolarHBondContact O-CB 3.13Å; T121-S125 PolarHBondContact O-N 2.85Å; T121-S125 PolarHBondContact O-OG 3.07Å; T121-S125 VanDerWaalsContact O-OG 3.05Å; M122-S125 PolarHBondContact O-N 2.83Å; S125-K127 VanDerWaalsContact C-N 3.31Å; S125-K127 PolarHBondContact O-N 3.04Å; S125-M128 PolarHBondContact O-N 3.01Å; S125-L129 VanDerWaalsContact O-CG 3.29Å; S125-L129 WeakPolarHBondContact O-CG 3.32Å; S125-L129 PolarHBondContact O-N 2.94Å |
| 126 | L | 94.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 176.3 | -175.8 | 58.2 | 0 | 0 | 0 | 111.5 | Y55 M122 R123 Y124 L129 L130 V154 F157 F167 | Y55-L126 HydrophobicContact CE1-CD2 4.46Å; M122-L126 WeakPolarHBondContact O-CB 3.42Å; M122-L126 PolarHBondContact O-N 3.1Å; R123-L126 PolarHBondContact O-N 3.27Å; Y124-L126 PolarHBondContact O-N 2.91Å; L126-L129 PolarHBondContact O-N 3.38Å; L126-L130 HydrophobicContact CD1-CD1 4.17Å; L126-L130 HydrophobicContact CD1-CG 4.13Å; L126-L130 HydrophobicContact CG-CD1 3.99Å; L126-L130 HydrophobicContact CG-CG 4.36Å; L126-L130 WeakPolarHBondContact O-CB 3.48Å; L126-L130 VanDerWaalsContact O-CG 3.25Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.43Å; L126-V154 HydrophobicContact CD1-CG1 4.3Å; L126-F157 HydrophobicContact CB-CB 4.38Å; L126-F157 HydrophobicContact CD1-CB 4.27Å; L126-F167 HydrophobicContact CD2-CD1 4.18Å; L126-F167 HydrophobicContact CD2-CE1 4.21Å |
| 127 | K | 95.4 | Very high | 92.8 | Very high | 53 Ų | 53 | 52.6 Ų | 52.6 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 175.3 | -175.1 | 178.2 | -178.6 | -177.3 | 0 | 112.6 | R123 Y124 S125 L130 S131 S170 | R123-K127 WeakPolarHBondContact O-CB 3.29Å; R123-K127 PolarHBondContact O-N 3.28Å; Y124-K127 WeakPolarHBondContact O-CB 3.32Å; Y124-K127 PolarHBondContact O-N 3.46Å; S125-K127 VanDerWaalsContact C-N 3.31Å; S125-K127 PolarHBondContact O-N 3.04Å; K127-L130 PolarHBondContact O-N 3.23Å; K127-S131 WeakPolarHBondContact O-CB 3.16Å; K127-S131 PolarHBondContact O-N 2.95Å; K127-S131 PolarHBondContact O-OG 2.89Å; K127-S170 WeakPolarHBondContact CA-O 3.45Å; K127-S170 VanDerWaalsContact CB-O 3.3Å; K127-S170 WeakPolarHBondContact CB-O 3.25Å |
| 128 | M | 95.1 | Very high | 92.5 | Very high | 85 Ų | 85 | 52.1 Ų | 52.1 | 42% | 0.419 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 175.3 | -69.5 | -59.8 | 103.8 | 0 | 0 | 111.1 | Y124 S125 L130 S131 | Y124-M128 HydrophobicContact CD1-CG 3.91Å; Y124-M128 HydrophobicContact CD2-CE 4.47Å; Y124-M128 HydrophobicContact CE1-CE 4.24Å; Y124-M128 HydrophobicContact CE1-CG 3.54Å; Y124-M128 HydrophobicContact CE1-SD 3.99Å; Y124-M128 HydrophobicContact CE2-CE 3.81Å; Y124-M128 WeakPolarHBondContact O-CG 3.35Å; Y124-M128 PolarHBondContact O-N 3.34Å; S125-M128 PolarHBondContact O-N 3.01Å; M128-L130 PolarHBondContact O-N 3.49Å; M128-S131 WeakPolarHBondContact O-CB 3.25Å; M128-S131 PolarHBondContact O-N 2.71Å |
| 129 | L | 96.1 | Very high | 91.8 | Very high | 29 Ų | 29 | 54.6 Ų | 54.6 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 174.7 | -70.2 | 168.5 | 0 | 0 | 0 | 111.3 | S125 L126 S131 Y132 W150 L153 V154 F157 | S125-L129 VanDerWaalsContact O-CG 3.29Å; S125-L129 WeakPolarHBondContact O-CG 3.32Å; S125-L129 PolarHBondContact O-N 2.94Å; L126-L129 PolarHBondContact O-N 3.38Å; L129-S131 PolarHBondContact O-N 3.47Å; L129-Y132 WeakPolarHBondContact O-CB 3.39Å; L129-Y132 PolarHBondContact O-N 2.81Å; L129-Y132 VanDerWaalsContact O-N 3.15Å; L129-W150 PolarHBondContact O-NE1 2.68Å; L129-L153 HydrophobicContact CD1-CB 4.04Å; L129-L153 HydrophobicContact CD2-CB 3.96Å; L129-L153 HydrophobicContact CD2-CD1 4.16Å; L129-V154 HydrophobicContact CB-CG2 3.9Å; L129-V154 HydrophobicContact CD1-CG2 4.5Å; L129-F157 HydrophobicContact CD1-CB 4.19Å; L129-F157 HydrophobicContact CD1-CD2 3.77Å; L129-F157 HydrophobicContact CD1-CG 4.16Å |
| 130 | L | 96.1 | Very high | 90.8 | Very high | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.9 | -15.9 | 178.8 | -67.1 | 177 | 0 | 0 | 0 | 113.6 | L126 K127 M128 Y132 V154 L171 P302 | L126-L130 HydrophobicContact CD1-CD1 4.17Å; L126-L130 HydrophobicContact CD1-CG 4.13Å; L126-L130 HydrophobicContact CG-CD1 3.99Å; L126-L130 HydrophobicContact CG-CG 4.36Å; L126-L130 WeakPolarHBondContact O-CB 3.48Å; L126-L130 VanDerWaalsContact O-CG 3.25Å; L126-L130 WeakPolarHBondContact O-CG 3.41Å; L126-L130 PolarHBondContact O-N 3.43Å; K127-L130 PolarHBondContact O-N 3.23Å; M128-L130 PolarHBondContact O-N 3.49Å; L130-Y132 PolarHBondContact O-N 3.19Å; L130-V154 HydrophobicContact CD2-CG1 4.18Å; L130-L171 HydrophobicContact CD1-CD2 4.47Å; L130-P302 HydrophobicContact CD1-CG 3.87Å; L130-P302 HydrophobicContact CD2-CG 4.23Å |
| 131 | S | 95.3 | Very high | 89.8 | Confident | 50 Ų | 50 | 63 Ų | 63 | 35% | 0.35 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -74.8 | -16.5 | 172.8 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | K127 M128 L129 H133 | K127-S131 WeakPolarHBondContact O-CB 3.16Å; K127-S131 PolarHBondContact O-N 2.95Å; K127-S131 PolarHBondContact O-OG 2.89Å; M128-S131 WeakPolarHBondContact O-CB 3.25Å; M128-S131 PolarHBondContact O-N 2.71Å; L129-S131 PolarHBondContact O-N 3.47Å; S131-H133 PolarHBondContact O-CE1 3.34Å; S131-H133 PolarHBondContact O-N 2.89Å; S131-H133 PolarHBondContact O-ND1 3.45Å |
| 132 | Y | 93.8 | Very high | 89.2 | Confident | 89 Ų | 89 | 65.7 Ų | 65.7 | 35% | 0.349 | 33% | 0.332 | S | S | . | . | trans | -78.8 | 119.3 | 174 | 176.1 | -105.7 | 0 | 0 | 0 | 111 | L129 L130 G134 W135 W150 | L129-Y132 WeakPolarHBondContact O-CB 3.39Å; L129-Y132 PolarHBondContact O-N 2.81Å; L129-Y132 VanDerWaalsContact O-N 3.15Å; L130-Y132 PolarHBondContact O-N 3.19Å; Y132-G134 VanDerWaalsContact CZ-CA 3.49Å; Y132-W135 HydrophobicContact CE1-CB 4.4Å; Y132-W135 VanDerWaalsContact O-CD1 3.24Å; Y132-W135 PolarHBondContact O-NE1 3.41Å; Y132-W135 VanDerWaalsContact O-NE1 3.14Å; Y132-W150 AromaticContact CD1-CD1 3.82Å; Y132-W150 AromaticContact CD1-CD2 3.89Å; Y132-W150 HydrophobicContact CD1-CD2 3.89Å; Y132-W150 AromaticContact CD1-CE2 3.81Å; Y132-W150 AromaticContact CD1-CG 3.91Å; Y132-W150 HydrophobicContact CD1-CG 3.91Å; Y132-W150 HydrophobicContact CD1-CZ2 4.38Å; Y132-W150 AromaticContact CD1-NE1 3.74Å; Y132-W150 HydrophobicContact CE1-CD2 4.37Å; Y132-W150 HydrophobicContact CE1-CG 4.34Å | ||
| 133 | H | 93.3 | Very high | 88.9 | Confident | 27 Ų | 27 | 65.8 Ų | 65.8 | 13% | 0.125 | 33% | 0.333 | C | S | . | . | trans | -115.2 | 7 | -180 | -62.9 | 99.6 | 0 | 0 | 0 | 113.7 | S131 W135 M136 F597 T649 | S131-H133 PolarHBondContact O-CE1 3.34Å; S131-H133 PolarHBondContact O-N 2.89Å; S131-H133 PolarHBondContact O-ND1 3.45Å; H133-W135 PolarHBondContact O-N 3.39Å; H133-W135 VanDerWaalsContact O-N 3.15Å; H133-M136 WeakPolarHBondContact O-CB 3.31Å; H133-M136 PolarHBondContact O-N 3.37Å; H133-F597 AromaticContact CE1-CE1 3.48Å; H133-F597 VanDerWaalsContact CE1-CE1 3.48Å; H133-F597 WeakPolarHBondContact CE1-CE1 3.01Å; H133-F597 AromaticContact CE1-CZ 3.56Å; H133-F597 AromaticContact NE2-CE1 3.98Å; H133-F597 AromaticContact NE2-CZ 3.86Å; H133-T649 HydrophobicContact CB-CG2 3.57Å | ||
| 134 | G | 89.7 | Confident | 88.8 | Confident | 23 Ų | 23 | 64.8 Ų | 64.8 | 24% | 0.237 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -59.5 | -28.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y132 M136 F137 | Y132-G134 VanDerWaalsContact CZ-CA 3.49Å; G134-M136 PolarHBondContact O-N 2.99Å; G134-M136 VanDerWaalsContact O-N 3.16Å; G134-F137 PolarHBondContact O-N 3.46Å |
| 135 | W | 90.8 | Very high | 88.7 | Confident | 19 Ų | 19 | 62 Ų | 62 | 7% | 0.072 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -58 | -25.2 | 174.6 | 64.7 | -93.4 | 0 | 0 | 0 | 114.1 | Y132 H133 F137 T147 W150 L296 L297 V301 L596 | Y132-W135 HydrophobicContact CE1-CB 4.4Å; Y132-W135 VanDerWaalsContact O-CD1 3.24Å; Y132-W135 PolarHBondContact O-NE1 3.41Å; Y132-W135 VanDerWaalsContact O-NE1 3.14Å; H133-W135 PolarHBondContact O-N 3.39Å; H133-W135 VanDerWaalsContact O-N 3.15Å; W135-F137 PolarHBondContact O-N 3.01Å; W135-T147 HydrophobicContact CB-CG2 3.59Å; W135-W150 HydrophobicContact CB-CE3 4.45Å; W135-W150 HydrophobicContact CB-CZ3 4.03Å; W135-W150 AromaticContact CD1-CH2 3.23Å; W135-W150 AromaticContact CD1-CZ2 3.76Å; W135-W150 AromaticContact CD1-CZ3 3.55Å; W135-W150 HydrophobicContact CD2-CH2 4.25Å; W135-W150 HydrophobicContact CD2-CZ3 4.36Å; W135-W150 HydrophobicContact CG-CE3 4.5Å; W135-W150 AromaticContact CG-CH2 3.81Å; W135-W150 HydrophobicContact CG-CH2 3.81Å; W135-W150 AromaticContact CG-CZ3 3.72Å; W135-W150 HydrophobicContact CG-CZ3 3.72Å; W135-W150 AromaticContact NE1-CH2 3.38Å; W135-W150 AromaticContact NE1-CZ2 3.89Å; W135-L296 HydrophobicContact CH2-CD1 4.3Å; W135-L297 HydrophobicContact CD2-CD2 4.44Å; W135-L297 HydrophobicContact CE3-CD1 4.48Å; W135-L297 HydrophobicContact CE3-CD2 4.07Å; W135-V301 HydrophobicContact CH2-CG2 4.42Å; W135-V301 HydrophobicContact CZ2-CB 4.35Å; W135-V301 HydrophobicContact CZ2-CG1 3.96Å; W135-V301 HydrophobicContact CZ2-CG2 4Å; W135-L596 HydrophobicContact CZ2-CD2 4.22Å |
| 136 | M | 90.5 | Very high | 88.5 | Confident | 31 Ų | 31 | 63.6 Ų | 63.6 | 15% | 0.153 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -68.3 | -21.1 | 174.8 | -76 | -74 | -77.6 | 0 | 0 | 112.2 | H133 G134 R645 M648 T649 | H133-M136 WeakPolarHBondContact O-CB 3.31Å; H133-M136 PolarHBondContact O-N 3.37Å; G134-M136 PolarHBondContact O-N 2.99Å; G134-M136 VanDerWaalsContact O-N 3.16Å; M136-R645 HydrophobicContact CE-CB 4.45Å; M136-R645 HydrophobicContact CE-CG 4.04Å; M136-R645 WeakPolarHBondContact O-CD 3.28Å; M136-M648 HydrophobicContact CE-CB 4.03Å; M136-M648 HydrophobicContact CE-CE 3.94Å; M136-M648 HydrophobicContact CE-CG 4.36Å; M136-M648 HydrophobicContact CE-SD 3.47Å; M136-M648 WeakPolarHBondContact CE-SD 3.2Å; M136-T649 HydrophobicContact CB-CG2 4.41Å; M136-T649 HydrophobicContact CG-CG2 4.17Å |
| 137 | F | 90.6 | Very high | 88.3 | Confident | 82 Ų | 82 | 63.6 Ų | 63.6 | 36% | 0.36 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -100.1 | -4.2 | -175.6 | -59.1 | -86.1 | 0 | 0 | 0 | 113.4 | G134 W135 L642 R645 L646 T649 | G134-F137 PolarHBondContact O-N 3.46Å; W135-F137 PolarHBondContact O-N 3.01Å; F137-L642 HydrophobicContact CD1-CD1 4.41Å; F137-L642 HydrophobicContact CE1-CD1 4.07Å; F137-R645 HydrophobicContact CE1-CB 3.96Å; F137-R645 HydrophobicContact CZ-CB 4.25Å; F137-L646 HydrophobicContact CE1-CD2 4.39Å; F137-L646 HydrophobicContact CZ-CD2 4.28Å; F137-T649 HydrophobicContact CE2-CG2 4.37Å |
| 138 | D | 85.4 | Confident | 88.1 | Confident | 40 Ų | 40 | 67 Ų | 67 | 21% | 0.214 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -62.1 | 149.7 | 171 | -79.9 | -8.9 | 0 | 0 | 0 | 110.9 | H140 S144 T147 | D138-H140 PolarHBondContact O-N 2.83Å; D138-S144 PolarHBondContact OD1-OG 2.95Å; D138-S144 PolarHBondContact OD2-N 3.35Å; D138-S144 VanDerWaalsContact OD2-N 3.13Å; D138-S144 PolarHBondContact OD2-OG 3.31Å; D138-T147 VanDerWaalsContact OD2-CB 3.23Å; D138-T147 WeakPolarHBondContact OD2-CB 3.32Å; D138-T147 PolarHBondContact OD2-OG1 2.71Å |
| 139 | E | 76.2 | Confident | 88.1 | Confident | 131 Ų | 131 | 69.7 Ų | 69.7 | 61% | 0.612 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 138.1 | 174.5 | -75.4 | -173.8 | 179.2 | 0 | 0 | 111 | G141 K142 | E139-G141 PolarHBondContact O-N 3.29Å; E139-K142 HydrophobicContact CB-CB 4.28Å; E139-K142 CarbonylContact O-C 3.58Å; E139-K142 PolarHBondContact O-N 3.36Å; E139-K142 IonicContact OE2-NZ 3.88Å; E139-K142 PolarHBondContact OE2-NZ 2.78Å |
| 140 | H | 69.4 | Low | 88 | Confident | 199 Ų | 199 | 69.1 Ų | 69.1 | 92% | 0.921 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 127.5 | 179.1 | -166.8 | 76.7 | 0 | 0 | 0 | 111.1 | D138 K142 | D138-H140 PolarHBondContact O-N 2.83Å; H140-K142 VanDerWaalsContact C-N 3.27Å; H140-K142 PolarHBondContact O-N 2.82Å |
| 141 | G | 69.5 | Low | 87.9 | Confident | 76 Ų | 76 | 69.9 Ų | 69.9 | 78% | 0.784 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -5.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | E139 | E139-G141 PolarHBondContact O-N 3.29Š|
| 142 | K | 81.4 | Confident | 87.8 | Confident | 141 Ų | 141 | 70.2 Ų | 70.2 | 61% | 0.613 | 38% | 0.382 | S | S | * | . | trans | -126.8 | 86.6 | 178.1 | -65.5 | -178.3 | -166.3 | 160.7 | 0 | 111 | E139 H140 S144 | E139-K142 HydrophobicContact CB-CB 4.28Å; E139-K142 CarbonylContact O-C 3.58Å; E139-K142 PolarHBondContact O-N 3.36Å; E139-K142 IonicContact OE2-NZ 3.88Å; E139-K142 PolarHBondContact OE2-NZ 2.78Å; H140-K142 VanDerWaalsContact C-N 3.27Å; H140-K142 PolarHBondContact O-N 2.82Å; K142-S144 PolarHBondContact O-N 3.48Å | ||
| 143 | L | 84.5 | Confident | 87.8 | Confident | 61 Ų | 61 | 68.3 Ų | 68.3 | 32% | 0.319 | 38% | 0.377 | S | S | . | . | trans | -71.4 | 129 | 172.4 | -61.2 | 175.2 | 0 | 0 | 0 | 110.4 | T147 K148 M151 L297 | L143-T147 HydrophobicContact CB-CG2 4.43Å; L143-T147 HydrophobicContact CD2-CG2 3.97Å; L143-K148 HydrophobicContact CB-CG 4.05Å; L143-K148 WeakPolarHBondContact O-CE 3.44Å; L143-M151 HydrophobicContact CD1-SD 3.8Å; L143-L297 HydrophobicContact CD2-CD1 4.24Å | ||
| 144 | S | 89.1 | Confident | 87.9 | Confident | 36 Ų | 36 | 67 Ų | 67 | 25% | 0.252 | 37% | 0.371 | S | S | . | . | trans | -62.7 | 155.6 | 174.5 | 62.3 | 0 | 0 | 0 | 0 | 111.2 | D138 K142 S146 T147 K148 | D138-S144 PolarHBondContact OD1-OG 2.95Å; D138-S144 PolarHBondContact OD2-N 3.35Å; D138-S144 VanDerWaalsContact OD2-N 3.13Å; D138-S144 PolarHBondContact OD2-OG 3.31Å; K142-S144 PolarHBondContact O-N 3.48Å; S144-S146 PolarHBondContact O-N 2.78Å; S144-S146 PolarHBondContact OG-OG 3.13Å; S144-T147 PolarHBondContact O-N 3.1Å; S144-T147 VanDerWaalsContact O-N 3.17Å; S144-T147 WeakPolarHBondContact OG-CB 3.2Å; S144-T147 PolarHBondContact OG-N 3.19Å; S144-T147 PolarHBondContact OG-OG1 3.01Å; S144-K148 WeakPolarHBondContact O-CG 3.25Å; S144-K148 PolarHBondContact O-N 3.31Å | ||
| 145 | A | 90.3 | Very high | 88 | Confident | 84 Ų | 84 | 71.2 Ų | 71.2 | 69% | 0.694 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.5 | -36.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K148 F149 | A145-K148 PolarHBondContact O-N 3.34Å; A145-F149 WeakPolarHBondContact O-CB 3.44Å; A145-F149 PolarHBondContact O-N 3.12Å |
| 146 | S | 90 | Very high | 87.9 | Confident | 71 Ų | 71 | 76.3 Ų | 76.3 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 172.6 | 46.5 | 0 | 0 | 0 | 0 | 111.9 | S144 K148 F149 W150 | S144-S146 PolarHBondContact O-N 2.78Å; S144-S146 PolarHBondContact OG-OG 3.13Å; S146-K148 PolarHBondContact O-N 3.1Å; S146-F149 PolarHBondContact O-N 2.97Å; S146-W150 WeakPolarHBondContact O-CB 3.39Å; S146-W150 PolarHBondContact O-N 2.96Å |
| 147 | T | 92.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 175.7 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | W135 D138 L143 S144 F149 W150 M151 | W135-T147 HydrophobicContact CB-CG2 3.59Å; D138-T147 VanDerWaalsContact OD2-CB 3.23Å; D138-T147 WeakPolarHBondContact OD2-CB 3.32Å; D138-T147 PolarHBondContact OD2-OG1 2.71Å; L143-T147 HydrophobicContact CB-CG2 4.43Å; L143-T147 HydrophobicContact CD2-CG2 3.97Å; S144-T147 PolarHBondContact O-N 3.1Å; S144-T147 VanDerWaalsContact O-N 3.17Å; S144-T147 WeakPolarHBondContact OG-CB 3.2Å; S144-T147 PolarHBondContact OG-N 3.19Å; S144-T147 PolarHBondContact OG-OG1 3.01Å; T147-F149 PolarHBondContact O-N 2.93Å; T147-W150 HydrophobicContact CG2-CE3 4.28Å; T147-W150 PolarHBondContact O-N 3.38Å; T147-M151 HydrophobicContact CG2-CG 4.31Å; T147-M151 HydrophobicContact CG2-SD 4.25Å; T147-M151 WeakPolarHBondContact O-CB 3.45Å; T147-M151 VanDerWaalsContact O-CG 3.25Å; T147-M151 WeakPolarHBondContact O-CG 3.23Å; T147-M151 PolarHBondContact O-N 2.89Å |
| 148 | K | 91.7 | Very high | 87.8 | Confident | 126 Ų | 126 | 74.8 Ų | 74.8 | 55% | 0.548 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 176.9 | -69.7 | 174.8 | -176.7 | 173.3 | 0 | 112.1 | L143 S144 A145 S146 M151 A152 | L143-K148 HydrophobicContact CB-CG 4.05Å; L143-K148 WeakPolarHBondContact O-CE 3.44Å; S144-K148 WeakPolarHBondContact O-CG 3.25Å; S144-K148 PolarHBondContact O-N 3.31Å; A145-K148 PolarHBondContact O-N 3.34Å; S146-K148 PolarHBondContact O-N 3.1Å; K148-M151 PolarHBondContact O-N 2.81Å; K148-A152 PolarHBondContact O-N 3.27Å |
| 149 | F | 93.9 | Very high | 87.6 | Confident | 141 Ų | 141 | 73.8 Ų | 73.8 | 62% | 0.618 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.8 | -46.2 | 175.8 | -179.8 | -106.8 | 0 | 0 | 0 | 111.6 | A145 S146 T147 M151 A152 L153 | A145-F149 WeakPolarHBondContact O-CB 3.44Å; A145-F149 PolarHBondContact O-N 3.12Å; S146-F149 PolarHBondContact O-N 2.97Å; T147-F149 PolarHBondContact O-N 2.93Å; F149-M151 VanDerWaalsContact C-N 3.35Å; F149-M151 PolarHBondContact O-N 3.02Å; F149-A152 WeakPolarHBondContact O-CB 3.48Å; F149-A152 PolarHBondContact O-N 3.46Å; F149-A152 VanDerWaalsContact O-N 3.16Å; F149-L153 HydrophobicContact CD1-CD1 4.03Å; F149-L153 HydrophobicContact CE1-CD1 3.55Å; F149-L153 HydrophobicContact CE1-CG 4.17Å; F149-L153 HydrophobicContact CZ-CD1 4.02Å; F149-L153 HydrophobicContact CZ-CD2 4.32Å; F149-L153 HydrophobicContact CZ-CG 4.27Å; F149-L153 PolarHBondContact O-N 2.78Å |
| 150 | W | 95.2 | Very high | 87.7 | Confident | 17 Ų | 17 | 79.4 Ų | 79.4 | 6% | 0.064 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 173.9 | 166 | 84.3 | 0 | 0 | 0 | 112.2 | L129 Y132 W135 S146 T147 A152 L153 V154 L297 V301 | L129-W150 PolarHBondContact O-NE1 2.68Å; Y132-W150 AromaticContact CD1-CD1 3.82Å; Y132-W150 AromaticContact CD1-CD2 3.89Å; Y132-W150 HydrophobicContact CD1-CD2 3.89Å; Y132-W150 AromaticContact CD1-CE2 3.81Å; Y132-W150 AromaticContact CD1-CG 3.91Å; Y132-W150 HydrophobicContact CD1-CG 3.91Å; Y132-W150 HydrophobicContact CD1-CZ2 4.38Å; Y132-W150 AromaticContact CD1-NE1 3.74Å; Y132-W150 HydrophobicContact CE1-CD2 4.37Å; Y132-W150 HydrophobicContact CE1-CG 4.34Å; W135-W150 HydrophobicContact CB-CE3 4.45Å; W135-W150 HydrophobicContact CB-CZ3 4.03Å; W135-W150 AromaticContact CD1-CH2 3.23Å; W135-W150 AromaticContact CD1-CZ2 3.76Å; W135-W150 AromaticContact CD1-CZ3 3.55Å; W135-W150 HydrophobicContact CD2-CH2 4.25Å; W135-W150 HydrophobicContact CD2-CZ3 4.36Å; W135-W150 HydrophobicContact CG-CE3 4.5Å; W135-W150 AromaticContact CG-CH2 3.81Å; W135-W150 HydrophobicContact CG-CH2 3.81Å; W135-W150 AromaticContact CG-CZ3 3.72Å; W135-W150 HydrophobicContact CG-CZ3 3.72Å; W135-W150 AromaticContact NE1-CH2 3.38Å; W135-W150 AromaticContact NE1-CZ2 3.89Å; S146-W150 WeakPolarHBondContact O-CB 3.39Å; S146-W150 PolarHBondContact O-N 2.96Å; T147-W150 HydrophobicContact CG2-CE3 4.28Å; T147-W150 PolarHBondContact O-N 3.38Å; W150-A152 VanDerWaalsContact C-N 3.3Å; W150-A152 PolarHBondContact O-N 3.46Å; W150-L153 WeakPolarHBondContact O-CB 3.19Å; W150-L153 PolarHBondContact O-N 2.83Å; W150-L153 VanDerWaalsContact O-N 3.13Å; W150-V154 HydrophobicContact CD2-CG2 4.03Å; W150-V154 VanDerWaalsContact CE2-CG2 3.49Å; W150-V154 HydrophobicContact CG-CG2 4.46Å; W150-V154 HydrophobicContact CH2-CG2 4.4Å; W150-V154 HydrophobicContact CZ2-CG2 3.72Å; W150-V154 WeakPolarHBondContact O-CG2 3.32Å; W150-V154 PolarHBondContact O-N 3.13Å; W150-L297 HydrophobicContact CZ3-CD2 4.17Å; W150-V301 HydrophobicContact CH2-CG2 3.52Å; W150-V301 HydrophobicContact CZ2-CG2 4.44Å; W150-V301 HydrophobicContact CZ3-CG2 4.24Å |
| 151 | M | 93.8 | Very high | 88.5 | Confident | 24 Ų | 24 | 78.9 Ų | 78.9 | 12% | 0.118 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 176 | -73 | 177.2 | 74.3 | 0 | 0 | 111.7 | L143 T147 K148 F149 L153 V154 K155 L297 T300 | L143-M151 HydrophobicContact CD1-SD 3.8Å; T147-M151 HydrophobicContact CG2-CG 4.31Å; T147-M151 HydrophobicContact CG2-SD 4.25Å; T147-M151 WeakPolarHBondContact O-CB 3.45Å; T147-M151 VanDerWaalsContact O-CG 3.25Å; T147-M151 WeakPolarHBondContact O-CG 3.23Å; T147-M151 PolarHBondContact O-N 2.89Å; K148-M151 PolarHBondContact O-N 2.81Å; F149-M151 VanDerWaalsContact C-N 3.35Å; F149-M151 PolarHBondContact O-N 3.02Å; M151-L153 VanDerWaalsContact C-N 3.33Å; M151-V154 PolarHBondContact O-N 3.36Å; M151-K155 WeakPolarHBondContact O-CB 3.44Å; M151-K155 WeakPolarHBondContact O-CG 3.16Å; M151-K155 PolarHBondContact O-N 2.92Å; M151-L297 HydrophobicContact CE-CD2 3.69Å; M151-L297 HydrophobicContact CE-CG 3.75Å; M151-L297 HydrophobicContact CG-CD2 3.92Å; M151-L297 HydrophobicContact SD-CD2 3.5Å; M151-L297 VanDerWaalsContact SD-CD2 3.5Å; M151-L297 HydrophobicContact SD-CG 4.11Å; M151-T300 HydrophobicContact CB-CG2 4.09Å; M151-T300 HydrophobicContact CE-CG2 4.31Å; M151-T300 VanDerWaalsContact CE-OG1 3.29Å; M151-T300 WeakPolarHBondContact CE-OG1 3.24Å; M151-T300 HydrophobicContact CG-CG2 4.09Å |
| 152 | A | 92.9 | Very high | 89.5 | Confident | 57 Ų | 57 | 77.1 Ų | 77.1 | 47% | 0.471 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | K148 F149 W150 K155 L156 | K148-A152 PolarHBondContact O-N 3.27Å; F149-A152 WeakPolarHBondContact O-CB 3.48Å; F149-A152 PolarHBondContact O-N 3.46Å; F149-A152 VanDerWaalsContact O-N 3.16Å; W150-A152 VanDerWaalsContact C-N 3.3Å; W150-A152 PolarHBondContact O-N 3.46Å; A152-K155 PolarHBondContact O-N 3.29Å; A152-L156 WeakPolarHBondContact O-CB 3.43Å; A152-L156 PolarHBondContact O-N 2.9Å |
| 153 | L | 94.4 | Very high | 90.2 | Very high | 48 Ų | 48 | 72 Ų | 72 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 173.4 | -66.2 | 178.7 | 0 | 0 | 0 | 112 | L129 F149 W150 M151 K155 L156 F157 | L129-L153 HydrophobicContact CD1-CB 4.04Å; L129-L153 HydrophobicContact CD2-CB 3.96Å; L129-L153 HydrophobicContact CD2-CD1 4.16Å; F149-L153 HydrophobicContact CD1-CD1 4.03Å; F149-L153 HydrophobicContact CE1-CD1 3.55Å; F149-L153 HydrophobicContact CE1-CG 4.17Å; F149-L153 HydrophobicContact CZ-CD1 4.02Å; F149-L153 HydrophobicContact CZ-CD2 4.32Å; F149-L153 HydrophobicContact CZ-CG 4.27Å; F149-L153 PolarHBondContact O-N 2.78Å; W150-L153 WeakPolarHBondContact O-CB 3.19Å; W150-L153 PolarHBondContact O-N 2.83Å; W150-L153 VanDerWaalsContact O-N 3.13Å; M151-L153 VanDerWaalsContact C-N 3.33Å; L153-K155 VanDerWaalsContact C-N 3.26Å; L153-K155 PolarHBondContact O-N 2.72Å; L153-L156 WeakPolarHBondContact O-CB 3.28Å; L153-L156 PolarHBondContact O-N 2.98Å; L153-L156 VanDerWaalsContact O-N 3.09Å; L153-F157 VanDerWaalsContact O-CD2 3.3Å; L153-F157 WeakPolarHBondContact O-CD2 3.45Å; L153-F157 PolarHBondContact O-N 3.08Å |
| 154 | V | 94.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.8 | -45 | 176.4 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | L126 L129 L130 W150 M151 F157 S158 T300 | L126-V154 HydrophobicContact CD1-CG1 4.3Å; L129-V154 HydrophobicContact CB-CG2 3.9Å; L129-V154 HydrophobicContact CD1-CG2 4.5Å; L130-V154 HydrophobicContact CD2-CG1 4.18Å; W150-V154 HydrophobicContact CD2-CG2 4.03Å; W150-V154 VanDerWaalsContact CE2-CG2 3.49Å; W150-V154 HydrophobicContact CG-CG2 4.46Å; W150-V154 HydrophobicContact CH2-CG2 4.4Å; W150-V154 HydrophobicContact CZ2-CG2 3.72Å; W150-V154 WeakPolarHBondContact O-CG2 3.32Å; W150-V154 PolarHBondContact O-N 3.13Å; M151-V154 PolarHBondContact O-N 3.36Å; V154-F157 PolarHBondContact O-N 2.95Å; V154-S158 WeakPolarHBondContact O-CB 3.42Å; V154-S158 PolarHBondContact O-N 3.26Å; V154-S158 PolarHBondContact O-OG 3.36Å; V154-T300 HydrophobicContact CB-CG2 3.96Å; V154-T300 HydrophobicContact CG1-CG2 3.79Å; V154-T300 WeakPolarHBondContact CG1-O 3.5Å |
| 155 | K | 91.1 | Very high | 91 | Very high | 111 Ų | 111 | 69.1 Ų | 69.1 | 48% | 0.483 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65 | -38.4 | 177 | -73.1 | 179 | -179.6 | -177.3 | 0 | 112.9 | M151 A152 L153 S158 T300 | M151-K155 WeakPolarHBondContact O-CB 3.44Å; M151-K155 WeakPolarHBondContact O-CG 3.16Å; M151-K155 PolarHBondContact O-N 2.92Å; A152-K155 PolarHBondContact O-N 3.29Å; L153-K155 VanDerWaalsContact C-N 3.26Å; L153-K155 PolarHBondContact O-N 2.72Å; K155-S158 PolarHBondContact O-N 3.16Å; K155-S158 VanDerWaalsContact O-O 3.13Å; K155-T300 WeakPolarHBondContact CE-OG1 3.36Å; K155-T300 HydrophobicContact CG-CG2 4.32Å |
| 156 | L | 90.3 | Very high | 91.1 | Very high | 127 Ų | 127 | 65.2 Ų | 65.2 | 67% | 0.665 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -64.1 | -43 | 177 | -179.9 | 66.1 | 0 | 0 | 0 | 111.8 | A152 L153 | A152-L156 WeakPolarHBondContact O-CB 3.43Å; A152-L156 PolarHBondContact O-N 2.9Å; L153-L156 WeakPolarHBondContact O-CB 3.28Å; L153-L156 PolarHBondContact O-N 2.98Å; L153-L156 VanDerWaalsContact O-N 3.09Å |
| 157 | F | 89.9 | Confident | 91.4 | Very high | 57 Ų | 57 | 62.1 Ų | 62.1 | 25% | 0.25 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -84.3 | -10.3 | 179.5 | -76.3 | -85.4 | 0 | 0 | 0 | 113.3 | P56 L126 L129 L153 V154 | P56-F157 WeakPolarHBondContact CB-O 3.38Å; P56-F157 WeakPolarHBondContact CG-O 3.45Å; L126-F157 HydrophobicContact CB-CB 4.38Å; L126-F157 HydrophobicContact CD1-CB 4.27Å; L129-F157 HydrophobicContact CD1-CB 4.19Å; L129-F157 HydrophobicContact CD1-CD2 3.77Å; L129-F157 HydrophobicContact CD1-CG 4.16Å; L153-F157 VanDerWaalsContact O-CD2 3.3Å; L153-F157 WeakPolarHBondContact O-CD2 3.45Å; L153-F157 PolarHBondContact O-N 3.08Å; V154-F157 PolarHBondContact O-N 2.95Å |
| 158 | S | 87.8 | Confident | 91.4 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -85.1 | 122.7 | 172.2 | -64 | 0 | 0 | 0 | 0 | 110.1 | V154 K155 | V154-S158 WeakPolarHBondContact O-CB 3.42Å; V154-S158 PolarHBondContact O-N 3.26Å; V154-S158 PolarHBondContact O-OG 3.36Å; K155-S158 PolarHBondContact O-N 3.16Å; K155-S158 VanDerWaalsContact O-O 3.13Å |
| 159 | G | 81.5 | Confident | 91.4 | Very high | 19 Ų | 19 | 59.1 Ų | 59.1 | 20% | 0.196 | 29% | 0.286 | C | S | . | . | trans | -62.2 | 153.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y55 K161 | Y55-G159 PolarHBondContact OH-N 3.04Å; Y55-G159 PolarHBondContact OH-O 3.01Å; Y55-G159 VanDerWaalsContact OH-O 3.06Å; G159-K161 PolarHBondContact O-N 3.27Å | ||
| 160 | R | 78.9 | Confident | 91.4 | Very high | 249 Ų | 249 | 52.4 Ų | 52.4 | 94% | 0.94 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -71.6 | -16.1 | -167 | -63.5 | -177.4 | -179.8 | 177.8 | -0.3 | 116.6 | ||
| 161 | K | 85.3 | Confident | 91.4 | Very high | 187 Ų | 187 | 51.8 Ų | 51.8 | 81% | 0.813 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -143 | 74.1 | -176 | -66 | -174.3 | -179.4 | -179 | 0 | 111.1 | G159 | G159-K161 PolarHBondContact O-N 3.27Š|
| 162 | P | 91.8 | Very high | 91.5 | Very high | 40 Ų | 40 | 50.8 Ų | 50.8 | 26% | 0.26 | 25% | 0.25 | S | C | . | . | trans | -70.9 | 137.9 | 179.4 | 31.2 | -34.9 | 0 | 0 | 0 | 110.9 | Y55 F167 P293 | Y55-P162 HydrophobicContact CE2-CB 4.12Å; P162-F167 HydrophobicContact CB-CD2 4.14Å; P162-F167 HydrophobicContact CB-CE2 3.43Å; P162-F167 VanDerWaalsContact CB-CE2 3.43Å; P162-F167 HydrophobicContact CB-CZ 4.03Å; P162-F167 HydrophobicContact CG-CE2 3.83Å; P162-F167 HydrophobicContact CG-CZ 4.29Å; P162-P293 HydrophobicContact CB-CG 4.03Å; P162-P293 HydrophobicContact CG-CG 3.99Å | ||
| 163 | M | 94.4 | Very high | 91.6 | Very high | 34 Ų | 34 | 53.2 Ų | 53.2 | 17% | 0.167 | 25% | 0.247 | C | C | . | . | trans | -88.4 | 170.3 | 165.9 | -56.6 | -176.1 | 71.4 | 0 | 0 | 109.5 | N48 I51 T52 Y165 S166 R288 Q289 | N48-M163 HydrophobicContact CB-CE 3.91Å; N48-M163 HydrophobicContact CB-SD 4.42Å; N48-M163 WeakPolarHBondContact ND2-CE 3.25Å; N48-M163 VanDerWaalsContact OD1-CE 3.32Å; N48-M163 WeakPolarHBondContact OD1-CE 3.41Å; I51-M163 HydrophobicContact CB-SD 4.21Å; I51-M163 HydrophobicContact CG2-SD 3.73Å; T52-M163 HydrophobicContact CG2-CB 4.01Å; T52-M163 HydrophobicContact CG2-SD 4.27Å; M163-Y165 PolarHBondContact O-N 2.89Å; M163-S166 PolarHBondContact N-OG 3.33Å; M163-S166 WeakPolarHBondContact O-CB 3.46Å; M163-S166 PolarHBondContact O-N 3.48Å; M163-S166 PolarHBondContact O-OG 2.96Å; M163-R288 WeakPolarHBondContact CE-O 3.45Å; M163-Q289 HydrophobicContact CB-CB 4.31Å; M163-Q289 HydrophobicContact CE-CB 3.83Å | ||
| 164 | L | 94.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | -42.5 | -176.2 | -176.3 | 58.9 | 0 | 0 | 0 | 113.9 | L286 Q289 I291 S305 W308 | L164-L286 HydrophobicContact CD2-CD1 3.44Å; L164-L286 VanDerWaalsContact CD2-CD1 3.44Å; L164-Q289 HydrophobicContact CB-CB 4.04Å; L164-Q289 PolarHBondContact N-O 2.86Å; L164-I291 WeakPolarHBondContact CA-O 2.98Å; L164-I291 VanDerWaalsContact CB-O 3.31Å; L164-I291 WeakPolarHBondContact CB-O 3.49Å; L164-I291 HydrophobicContact CD1-CB 4.15Å; L164-I291 HydrophobicContact CD1-CG2 4.02Å; L164-I291 HydrophobicContact CD2-CB 4.3Å; L164-I291 PolarHBondContact N-O 3.18Å; L164-S305 WeakPolarHBondContact O-CB 3.43Å; L164-S305 PolarHBondContact O-OG 3.15Å; L164-W308 HydrophobicContact CD2-CB 4.17Å; L164-W308 HydrophobicContact CD2-CG 4.27Å |
| 165 | Y | 95.6 | Very high | 91.7 | Very high | 34 Ų | 34 | 54.1 Ų | 54.1 | 13% | 0.133 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | 6.2 | -176.2 | -55.4 | -57.1 | 0 | 0 | 0 | 114.5 | M163 F167 Q168 Q289 S305 E309 | M163-Y165 PolarHBondContact O-N 2.89Å; Y165-F167 PolarHBondContact O-N 3.41Å; Y165-F167 VanDerWaalsContact O-N 3.15Å; Y165-Q168 HydrophobicContact CD1-CG 4.07Å; Y165-Q168 HydrophobicContact CG-CG 4.49Å; Y165-Q168 WeakPolarHBondContact O-CG 3.45Å; Y165-Q168 PolarHBondContact O-N 3.35Å; Y165-Q168 VanDerWaalsContact O-N 3.09Å; Y165-Q289 HydrophobicContact CD2-CB 4.49Å; Y165-Q289 VanDerWaalsContact CD2-CD 3.41Å; Y165-Q289 HydrophobicContact CD2-CG 3.72Å; Y165-Q289 HydrophobicContact CE2-CG 3.87Å; Y165-S305 WeakPolarHBondContact CE1-O 3.24Å; Y165-E309 HydrophobicContact CE1-CG 3.99Å; Y165-E309 WeakPolarHBondContact OH-CG 3.49Å |
| 166 | S | 94.2 | Very high | 92 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -37 | -176.3 | -78.9 | 0 | 0 | 0 | 0 | 113.9 | Y55 M163 | Y55-S166 WeakPolarHBondContact CD1-O 3.35Å; M163-S166 PolarHBondContact N-OG 3.33Å; M163-S166 WeakPolarHBondContact O-CB 3.46Å; M163-S166 PolarHBondContact O-N 3.48Å; M163-S166 PolarHBondContact O-OG 2.96Å |
| 167 | F | 94.9 | Very high | 92.3 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -9.5 | -177.4 | -66.7 | -77.6 | 0 | 0 | 0 | 114.4 | Y55 L126 P162 Y165 T169 S170 L171 P293 L295 P302 | Y55-F167 AromaticContact CE1-CD1 3.73Å; Y55-F167 HydrophobicContact CE1-CD1 3.73Å; Y55-F167 AromaticContact CE1-CE1 3.6Å; Y55-F167 HydrophobicContact CE1-CE1 3.6Å; Y55-F167 HydrophobicContact CE1-CG 4.32Å; Y55-F167 HydrophobicContact CE1-CZ 4.09Å; Y55-F167 AromaticContact CZ-CE1 3.88Å; Y55-F167 AromaticContact CZ-CZ 3.93Å; Y55-F167 WeakPolarHBondContact OH-CE1 3.34Å; Y55-F167 WeakPolarHBondContact OH-CZ 3.3Å; L126-F167 HydrophobicContact CD2-CD1 4.18Å; L126-F167 HydrophobicContact CD2-CE1 4.21Å; P162-F167 HydrophobicContact CB-CD2 4.14Å; P162-F167 HydrophobicContact CB-CE2 3.43Å; P162-F167 VanDerWaalsContact CB-CE2 3.43Å; P162-F167 HydrophobicContact CB-CZ 4.03Å; P162-F167 HydrophobicContact CG-CE2 3.83Å; P162-F167 HydrophobicContact CG-CZ 4.29Å; Y165-F167 PolarHBondContact O-N 3.41Å; Y165-F167 VanDerWaalsContact O-N 3.15Å; F167-T169 VanDerWaalsContact C-N 3.27Å; F167-T169 PolarHBondContact O-N 3.48Å; F167-T169 VanDerWaalsContact O-N 3.13Å; F167-S170 CarbonylContact O-C 3.46Å; F167-S170 WeakPolarHBondContact O-CA 3.45Å; F167-S170 PolarHBondContact O-N 3.33Å; F167-L171 WeakPolarHBondContact O-CG 3.5Å; F167-L171 PolarHBondContact O-N 2.92Å; F167-P293 HydrophobicContact CD2-CB 4.3Å; F167-P293 HydrophobicContact CD2-CG 4.24Å; F167-P293 HydrophobicContact CE2-CG 4.1Å; F167-L295 HydrophobicContact CE2-CD2 4.05Å; F167-P302 HydrophobicContact CB-CB 3.83Å; F167-P302 HydrophobicContact CB-CG 3.91Å; F167-P302 HydrophobicContact CD1-CB 4.04Å; F167-P302 HydrophobicContact CD1-CG 3.64Å; F167-P302 HydrophobicContact CD2-CB 3.57Å; F167-P302 HydrophobicContact CD2-CG 4.14Å; F167-P302 HydrophobicContact CE1-CB 4.48Å; F167-P302 HydrophobicContact CE1-CG 4.12Å; F167-P302 HydrophobicContact CE2-CB 4.06Å; F167-P302 HydrophobicContact CG-CB 3.55Å; F167-P302 HydrophobicContact CG-CG 3.64Å; F167-P302 HydrophobicContact CZ-CB 4.48Å |
| 168 | Q | 93.7 | Very high | 92.7 | Very high | 17 Ų | 17 | 44.5 Ų | 44.5 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -37.3 | -170 | -68 | -47.6 | -54 | 0 | 0 | 113.6 | Y165 S170 C304 R598 | Y165-Q168 HydrophobicContact CD1-CG 4.07Å; Y165-Q168 HydrophobicContact CG-CG 4.49Å; Y165-Q168 WeakPolarHBondContact O-CG 3.45Å; Y165-Q168 PolarHBondContact O-N 3.35Å; Y165-Q168 VanDerWaalsContact O-N 3.09Å; Q168-S170 VanDerWaalsContact C-N 3.33Å; Q168-C304 PolarHBondContact OE1-SG 2.8Å; Q168-R598 WeakPolarHBondContact O-CD 3.34Å |
| 169 | T | 89.8 | Confident | 93.2 | Very high | 47 Ų | 47 | 44 Ų | 44 | 29% | 0.288 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -17.2 | 178.5 | 56 | 0 | 0 | 0 | 0 | 113.8 | R123 F167 | R123-T169 PolarHBondContact NE-OG1 2.79Å; F167-T169 VanDerWaalsContact C-N 3.27Å; F167-T169 PolarHBondContact O-N 3.48Å; F167-T169 VanDerWaalsContact O-N 3.13Å |
| 170 | S | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -13.6 | -179.3 | -52.4 | 0 | 0 | 0 | 0 | 112.5 | K127 F167 Q168 | K127-S170 WeakPolarHBondContact CA-O 3.45Å; K127-S170 VanDerWaalsContact CB-O 3.3Å; K127-S170 WeakPolarHBondContact CB-O 3.25Å; F167-S170 CarbonylContact O-C 3.46Å; F167-S170 WeakPolarHBondContact O-CA 3.45Å; F167-S170 PolarHBondContact O-N 3.33Å; Q168-S170 VanDerWaalsContact C-N 3.33Å |
| 171 | L | 96.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -65 | 142.7 | 175.6 | -73.9 | 169.9 | 0 | 0 | 0 | 111.3 | L130 F167 P302 C304 R598 | L130-L171 HydrophobicContact CD1-CD2 4.47Å; F167-L171 WeakPolarHBondContact O-CG 3.5Å; F167-L171 PolarHBondContact O-N 2.92Å; L171-P302 HydrophobicContact CD2-CG 4.09Å; L171-C304 HydrophobicContact CD1-CB 3.79Å; L171-R598 HydrophobicContact CB-CB 4.04Å |
| 172 | P | 95.7 | Very high | 95.4 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 158.7 | 174.2 | 28.7 | -34.5 | 0 | 0 | 0 | 111.3 | L596 F597 R598 | P172-L596 WeakPolarHBondContact CD-O 3.29Å; P172-L596 WeakPolarHBondContact CG-O 3.17Å; P172-F597 HydrophobicContact CB-CD1 4.07Å; P172-F597 HydrophobicContact CB-CE1 4.42Å; P172-F597 HydrophobicContact CG-CD1 3.74Å; P172-F597 HydrophobicContact CG-CE1 4.11Å; P172-F597 WeakPolarHBondContact O-CA 3.38Å; P172-R598 PolarHBondContact O-N 2.93Å |
| 173 | R | 94.2 | Very high | 95.7 | Very high | 107 Ų | 107 | 32.7 Ų | 32.7 | 40% | 0.404 | 17% | 0.166 | S | C | . | . | P | Polyproline II helix | trans | -80.4 | 149.4 | 167.7 | -61.7 | -173.8 | -177.7 | 167.7 | -2.5 | 108.6 | S225 W226 T229 F597 | R173-S225 PolarHBondContact NH1-O 3.33Å; R173-W226 PolarHBondContact NH1-O 3.34Å; R173-T229 WeakPolarHBondContact CG-O 3.41Å; R173-F597 VanDerWaalsContact O-CD1 3.26Å; R173-F597 WeakPolarHBondContact O-CD1 3.19Å |
| 174 | L | 95.8 | Very high | 95.9 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 6% | 0.063 | 19% | 0.185 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 125.1 | 174.2 | -173 | 71.4 | 0 | 0 | 0 | 109.4 | Y231 V232 T594 F597 | L174-Y231 HydrophobicContact CB-CD1 4.32Å; L174-Y231 HydrophobicContact CB-CE1 4.06Å; L174-Y231 HydrophobicContact CD2-CD1 4.38Å; L174-Y231 HydrophobicContact CD2-CE1 3.73Å; L174-Y231 HydrophobicContact CG-CE1 3.79Å; L174-Y231 WeakPolarHBondContact O-CD1 3.36Å; L174-Y231 WeakPolarHBondContact O-CE1 3.39Å; L174-V232 HydrophobicContact CD2-CB 4.12Å; L174-V232 HydrophobicContact CD2-CG2 3.55Å; L174-T594 HydrophobicContact CD1-CG2 4.31Å; L174-F597 HydrophobicContact CB-CB 4.05Å; L174-F597 HydrophobicContact CB-CD2 4.49Å; L174-F597 HydrophobicContact CB-CG 4.12Å; L174-F597 HydrophobicContact CD1-CB 4.24Å; L174-F597 HydrophobicContact CD1-CD2 3.24Å; L174-F597 HydrophobicContact CD1-CE2 3.63Å; L174-F597 HydrophobicContact CD1-CG 3.74Å; L174-F597 HydrophobicContact CD1-CZ 4.42Å; L174-F597 HydrophobicContact CG-CD2 4.43Å |
| 175 | P | 95.9 | Very high | 96 | Very high | 56 Ų | 56 | 39 Ų | 39 | 36% | 0.364 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -70.1 | 149.9 | 179.2 | 29.1 | -35.9 | 0 | 0 | 0 | 110.9 | P177 Y231 F597 | P175-P177 WeakPolarHBondContact O-CD 3.48Å; P175-Y231 VanDerWaalsContact O-CE1 3.24Å; P175-Y231 WeakPolarHBondContact O-CE1 3.38Å; P175-Y231 PolarHBondContact O-OH 3.25Å; P175-F597 HydrophobicContact CG-CE1 4.27Å; P175-F597 HydrophobicContact CG-CZ 4.16Å |
| 176 | V | 97.1 | Very high | 96.1 | Very high | 30 Ų | 30 | 37.3 Ų | 37.3 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | trans | -90.9 | 113.5 | 170.6 | -167.7 | 0 | 0 | 0 | 0 | 108.1 | L221 Y231 | V176-L221 HydrophobicContact CG1-CB 4.49Å; V176-L221 HydrophobicContact CG1-CD2 3.72Å; V176-L221 HydrophobicContact CG1-CG 3.89Å; V176-Y231 HydrophobicContact CB-CE1 4.48Å; V176-Y231 HydrophobicContact CG2-CD1 3.86Å; V176-Y231 HydrophobicContact CG2-CE1 3.87Å; V176-Y231 HydrophobicContact CG2-CG 4.21Å | ||
| 177 | P | 97 | Very high | 96.3 | Very high | 16 Ų | 16 | 38.2 Ų | 38.2 | 10% | 0.104 | 19% | 0.189 | C | C | . | . | trans | -61.7 | 165.3 | 177.5 | -20.9 | 32.7 | 0 | 0 | 0 | 112.2 | P175 Q218 Y231 G650 H656 | P175-P177 WeakPolarHBondContact O-CD 3.48Å; P177-Q218 PolarHBondContact O-NE2 3.03Å; P177-Q218 PolarHBondContact O-OE1 3.1Å; P177-Y231 WeakPolarHBondContact CD-OH 3.33Å; P177-G650 WeakPolarHBondContact CG-O 3.48Å; P177-H656 HydrophobicContact CG-CB 4.24Å; P177-H656 PolarHBondContact O-CE1 3.27Å | ||
| 178 | S | 97.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 41.7 Ų | 41.7 | 32% | 0.322 | 21% | 0.206 | S | C | . | . | trans | -76 | 146.3 | 169.9 | 88.2 | 0 | 0 | 0 | 0 | 110.7 | K180 D181 T182 | S178-K180 VanDerWaalsContact C-N 3.28Å; S178-K180 PolarHBondContact O-N 3.31Å; S178-D181 PolarHBondContact O-N 3.43Å; S178-D181 WeakPolarHBondContact OG-CB 3.32Å; S178-D181 PolarHBondContact OG-N 3.14Å; S178-D181 PolarHBondContact OG-OD2 3.12Å; S178-T182 WeakPolarHBondContact O-CB 3.5Å; S178-T182 PolarHBondContact O-N 3.46Å; S178-T182 VanDerWaalsContact O-N 3.09Å; S178-T182 PolarHBondContact O-OG1 3.06Å | ||
| 179 | V | 98.1 | Very high | 96.5 | Very high | 14 Ų | 14 | 41.4 Ų | 41.4 | 9% | 0.085 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.1 | -44.7 | 173.5 | -179.8 | 0 | 0 | 0 | 0 | 110.3 | D181 T182 V183 F209 A210 Q218 | V179-D181 PolarHBondContact O-N 3.35Å; V179-T182 PolarHBondContact O-N 3.02Å; V179-V183 HydrophobicContact CG1-CG2 4.03Å; V179-V183 WeakPolarHBondContact O-CB 3.39Å; V179-V183 WeakPolarHBondContact O-CG2 3.34Å; V179-V183 PolarHBondContact O-N 3.36Å; V179-F209 HydrophobicContact CG1-CD1 4.26Å; V179-F209 HydrophobicContact CG1-CE1 3.92Å; V179-A210 HydrophobicContact CG1-CB 4.22Å; V179-Q218 HydrophobicContact CG2-CB 3.79Å; V179-Q218 HydrophobicContact CG2-CG 4.11Å |
| 180 | K | 97.4 | Very high | 96.8 | Very high | 166 Ų | 166 | 39.2 Ų | 39.2 | 72% | 0.722 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -57.5 | -48.4 | -178.9 | -175.5 | -179.8 | 178.4 | -179.5 | 0 | 112.3 | S178 T182 K184 | S178-K180 VanDerWaalsContact C-N 3.28Å; S178-K180 PolarHBondContact O-N 3.31Å; K180-T182 VanDerWaalsContact C-N 3.34Å; K180-K184 WeakPolarHBondContact O-CB 3.37Å; K180-K184 PolarHBondContact O-N 3.44Å |
| 181 | D | 97.1 | Very high | 96.9 | Very high | 82 Ų | 82 | 43.2 Ų | 43.2 | 44% | 0.439 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -70.4 | -35.1 | -179.2 | -59.6 | -37.4 | 0 | 0 | 0 | 111.6 | S178 V179 R185 | S178-D181 PolarHBondContact O-N 3.43Å; S178-D181 WeakPolarHBondContact OG-CB 3.32Å; S178-D181 PolarHBondContact OG-N 3.14Å; S178-D181 PolarHBondContact OG-OD2 3.12Å; V179-D181 PolarHBondContact O-N 3.35Å; D181-R185 WeakPolarHBondContact O-CB 3.41Å; D181-R185 VanDerWaalsContact O-CG 3.28Å; D181-R185 WeakPolarHBondContact O-CG 3.49Å; D181-R185 PolarHBondContact O-N 2.93Å; D181-R185 PolarHBondContact O-NE 2.74Å |
| 182 | T | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.5 | -49.3 | 176.8 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | S178 V179 K180 R185 Y186 I653 H656 L657 | S178-T182 WeakPolarHBondContact O-CB 3.5Å; S178-T182 PolarHBondContact O-N 3.46Å; S178-T182 VanDerWaalsContact O-N 3.09Å; S178-T182 PolarHBondContact O-OG1 3.06Å; V179-T182 PolarHBondContact O-N 3.02Å; K180-T182 VanDerWaalsContact C-N 3.34Å; T182-R185 PolarHBondContact O-N 3.31Å; T182-Y186 WeakPolarHBondContact O-CB 3.09Å; T182-Y186 PolarHBondContact O-N 3.24Å; T182-I653 HydrophobicContact CG2-CG2 4.26Å; T182-H656 HydrophobicContact CG2-CB 4.23Å; T182-H656 PolarHBondContact OG1-ND1 3.49Å; T182-L657 HydrophobicContact CG2-CD2 3.73Å; T182-L657 HydrophobicContact CG2-CG 3.81Å |
| 183 | V | 98.1 | Very high | 96.9 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 177.7 | 166.1 | 0 | 0 | 0 | 0 | 111.4 | V179 R185 Y186 L187 A206 F209 A210 F673 | V179-V183 HydrophobicContact CG1-CG2 4.03Å; V179-V183 WeakPolarHBondContact O-CB 3.39Å; V179-V183 WeakPolarHBondContact O-CG2 3.34Å; V179-V183 PolarHBondContact O-N 3.36Å; V183-R185 PolarHBondContact O-N 3.03Å; V183-Y186 PolarHBondContact O-N 3.38Å; V183-L187 HydrophobicContact CG1-CD1 4.08Å; V183-L187 WeakPolarHBondContact O-CG 3.31Å; V183-L187 PolarHBondContact O-N 2.86Å; V183-A206 HydrophobicContact CG1-CB 3.74Å; V183-F209 HydrophobicContact CG2-CD1 4.2Å; V183-A210 HydrophobicContact CG2-CB 4.3Å; V183-F673 HydrophobicContact CG2-CE1 4.21Å; V183-F673 HydrophobicContact CG2-CZ 4.17Å |
| 184 | K | 97.8 | Very high | 96.9 | Very high | 127 Ų | 127 | 42.2 Ų | 42.2 | 55% | 0.552 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -56.6 | -50.2 | 175.8 | -180 | -179 | 173.9 | -175.9 | 0 | 111.4 | K180 L187 E188 | K180-K184 WeakPolarHBondContact O-CB 3.37Å; K180-K184 PolarHBondContact O-N 3.44Å; K184-L187 PolarHBondContact O-N 3.45Å; K184-E188 WeakPolarHBondContact CE-OE1 3.4Å; K184-E188 WeakPolarHBondContact O-CG 3.29Å; K184-E188 PolarHBondContact O-N 3.31Å |
| 185 | R | 97.8 | Very high | 96.9 | Very high | 41 Ų | 41 | 45.8 Ų | 45.8 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.6 | -34.2 | -179.5 | -69.9 | 176.5 | -66 | -175.4 | 15.9 | 112.7 | D181 T182 V183 E188 S189 A651 G652 I653 | D181-R185 WeakPolarHBondContact O-CB 3.41Å; D181-R185 VanDerWaalsContact O-CG 3.28Å; D181-R185 WeakPolarHBondContact O-CG 3.49Å; D181-R185 PolarHBondContact O-N 2.93Å; D181-R185 PolarHBondContact O-NE 2.74Å; T182-R185 PolarHBondContact O-N 3.31Å; V183-R185 PolarHBondContact O-N 3.03Å; R185-E188 PolarHBondContact O-N 2.86Å; R185-S189 WeakPolarHBondContact O-CB 3.2Å; R185-S189 PolarHBondContact O-N 3.28Å; R185-A651 PolarHBondContact NH1-O 2.7Å; R185-A651 PolarHBondContact NH2-O 3.3Å; R185-A651 VanDerWaalsContact NH2-O 3.15Å; R185-G652 PolarHBondContact NH2-O 3Å; R185-I653 HydrophobicContact CB-CD1 3.83Å; R185-I653 HydrophobicContact CB-CG1 3.84Å |
| 186 | Y | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -52.4 | 171.2 | 167.5 | -100.8 | 0 | 0 | 0 | 110.8 | T182 V183 E188 S189 V190 M202 I653 L657 F673 V677 | T182-Y186 WeakPolarHBondContact O-CB 3.09Å; T182-Y186 PolarHBondContact O-N 3.24Å; V183-Y186 PolarHBondContact O-N 3.38Å; Y186-E188 VanDerWaalsContact C-N 3.33Å; Y186-E188 PolarHBondContact O-N 3.39Å; Y186-S189 WeakPolarHBondContact O-CA 3.47Å; Y186-S189 WeakPolarHBondContact O-CB 3.46Å; Y186-S189 PolarHBondContact O-N 2.81Å; Y186-S189 PolarHBondContact O-OG 2.66Å; Y186-V190 HydrophobicContact CD1-CG2 4.5Å; Y186-V190 HydrophobicContact CD2-CG1 4.01Å; Y186-V190 HydrophobicContact CE1-CG1 4.4Å; Y186-V190 HydrophobicContact CE1-CG2 3.97Å; Y186-V190 HydrophobicContact CE2-CB 4.49Å; Y186-V190 HydrophobicContact CE2-CG1 3.33Å; Y186-V190 HydrophobicContact CE2-CG2 4.39Å; Y186-V190 PolarHBondContact O-N 3.29Å; Y186-M202 HydrophobicContact CE1-CG 3.81Å; Y186-M202 HydrophobicContact CE1-SD 3.72Å; Y186-M202 WeakPolarHBondContact OH-CE 3.26Å; Y186-I653 HydrophobicContact CD2-CG2 4.48Å; Y186-L657 HydrophobicContact CD2-CD1 4.3Å; Y186-L657 HydrophobicContact CG-CD1 4.42Å; Y186-F673 AromaticContact CD1-CE2 3.68Å; Y186-F673 HydrophobicContact CD1-CE2 3.68Å; Y186-F673 AromaticContact CD1-CZ 3.76Å; Y186-F673 HydrophobicContact CD1-CZ 3.76Å; Y186-F673 AromaticContact CE1-CE2 3.55Å; Y186-F673 HydrophobicContact CE1-CE2 3.55Å; Y186-F673 HydrophobicContact CE1-CZ 4.04Å; Y186-F673 HydrophobicContact CG-CZ 4.35Å; Y186-V677 HydrophobicContact CD1-CG2 4.35Å; Y186-V677 HydrophobicContact CD2-CG1 3.69Å; Y186-V677 HydrophobicContact CD2-CG2 4.37Å; Y186-V677 HydrophobicContact CE1-CG2 3.7Å; Y186-V677 HydrophobicContact CE2-CB 4Å; Y186-V677 HydrophobicContact CE2-CG1 3.3Å; Y186-V677 HydrophobicContact CE2-CG2 3.72Å; Y186-V677 WeakPolarHBondContact OH-CG2 3.44Å |
| 187 | L | 98 | Very high | 97 | Very high | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.099 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.4 | -42.2 | 178.7 | -69.9 | 171.3 | 0 | 0 | 0 | 111.8 | V183 K184 S189 V190 R191 F199 M202 E203 A206 | V183-L187 HydrophobicContact CG1-CD1 4.08Å; V183-L187 WeakPolarHBondContact O-CG 3.31Å; V183-L187 PolarHBondContact O-N 2.86Å; K184-L187 PolarHBondContact O-N 3.45Å; L187-S189 VanDerWaalsContact C-N 3.25Å; L187-S189 PolarHBondContact O-N 2.96Å; L187-V190 PolarHBondContact O-N 3.36Å; L187-R191 PolarHBondContact O-N 3.45Å; L187-R191 VanDerWaalsContact O-N 3.16Å; L187-F199 HydrophobicContact CB-CE2 4.42Å; L187-F199 HydrophobicContact CB-CZ 4.31Å; L187-F199 HydrophobicContact CD2-CE2 4.39Å; L187-F199 VanDerWaalsContact O-CE2 3.32Å; L187-F199 WeakPolarHBondContact O-CE2 3.3Å; L187-M202 HydrophobicContact CD2-CG 4.01Å; L187-E203 HydrophobicContact CD1-CG 4.11Å; L187-E203 HydrophobicContact CD2-CB 4.44Å; L187-A206 HydrophobicContact CD1-CB 4.02Å; L187-A206 HydrophobicContact CD2-CB 3.93Å; L187-A206 HydrophobicContact CG-CB 4.17Å |
| 188 | E | 96.9 | Very high | 97 | Very high | 80 Ų | 80 | 51 Ų | 51 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.1 | -38.2 | 172.3 | -72.5 | 174.9 | -161.7 | 0 | 0 | 112.3 | K184 R185 Y186 K639 | K184-E188 WeakPolarHBondContact CE-OE1 3.4Å; K184-E188 WeakPolarHBondContact O-CG 3.29Å; K184-E188 PolarHBondContact O-N 3.31Å; R185-E188 PolarHBondContact O-N 2.86Å; Y186-E188 VanDerWaalsContact C-N 3.33Å; Y186-E188 PolarHBondContact O-N 3.39Å; E188-K639 IonicContact OE2-NZ 3.35Å |
| 189 | S | 96.8 | Very high | 96.9 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 8% | 0.077 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -75.5 | -31.9 | -177.3 | 78.5 | 0 | 0 | 0 | 0 | 114.4 | R185 Y186 L187 P192 R606 | R185-S189 WeakPolarHBondContact O-CB 3.2Å; R185-S189 PolarHBondContact O-N 3.28Å; Y186-S189 WeakPolarHBondContact O-CA 3.47Å; Y186-S189 WeakPolarHBondContact O-CB 3.46Å; Y186-S189 PolarHBondContact O-N 2.81Å; Y186-S189 PolarHBondContact O-OG 2.66Å; L187-S189 VanDerWaalsContact C-N 3.25Å; L187-S189 PolarHBondContact O-N 2.96Å; S189-P192 WeakPolarHBondContact O-CD 3.47Å; S189-R606 VanDerWaalsContact OG-CD 3.32Å; S189-R606 WeakPolarHBondContact OG-CD 3.32Å; S189-R606 PolarHBondContact OG-NH1 3.3Å |
| 190 | V | 95.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -92.3 | -11.5 | -179.1 | -62.7 | 0 | 0 | 0 | 0 | 113.3 | Y186 L187 P192 L193 M194 F199 | Y186-V190 HydrophobicContact CD1-CG2 4.5Å; Y186-V190 HydrophobicContact CD2-CG1 4.01Å; Y186-V190 HydrophobicContact CE1-CG1 4.4Å; Y186-V190 HydrophobicContact CE1-CG2 3.97Å; Y186-V190 HydrophobicContact CE2-CB 4.49Å; Y186-V190 HydrophobicContact CE2-CG1 3.33Å; Y186-V190 HydrophobicContact CE2-CG2 4.39Å; Y186-V190 PolarHBondContact O-N 3.29Å; L187-V190 PolarHBondContact O-N 3.36Å; V190-P192 VanDerWaalsContact C-CD 3.43Å; V190-P192 VanDerWaalsContact C-N 3.35Å; V190-L193 WeakPolarHBondContact O-CB 3.3Å; V190-L193 PolarHBondContact O-N 3.08Å; V190-M194 HydrophobicContact CB-CE 3.99Å; V190-M194 HydrophobicContact CB-SD 4.22Å; V190-M194 HydrophobicContact CG1-CE 4.46Å; V190-M194 HydrophobicContact CG2-CE 4.14Å; V190-M194 HydrophobicContact CG2-SD 4.05Å; V190-M194 PolarHBondContact O-N 3.4Å; V190-F199 HydrophobicContact CG2-CE2 4.39Å |
| 191 | R | 96.1 | Very high | 97 | Very high | 84 Ų | 84 | 55.6 Ų | 55.6 | 32% | 0.317 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -49.7 | -45.1 | 177.2 | -178.3 | 57.4 | -169.4 | 142.7 | -2.9 | 114.5 | L187 L193 M194 D196 F199 V610 | L187-R191 PolarHBondContact O-N 3.45Å; L187-R191 VanDerWaalsContact O-N 3.16Å; R191-L193 PolarHBondContact O-N 3.47Å; R191-M194 PolarHBondContact NH1-O 2.96Å; R191-D196 IonicContact CZ-OD1 2.91Å; R191-D196 VanDerWaalsContact CZ-OD1 3.31Å; R191-D196 IonicContact NH1-OD1 3.5Å; R191-D196 PolarHBondContact NH1-OD1 3.25Å; R191-D196 VanDerWaalsContact NH1-OD1 3.08Å; R191-D196 IonicContact NH2-OD1 2.75Å; R191-D196 PolarHBondContact NH2-OD1 2.76Å; R191-F199 HydrophobicContact CB-CD2 4.25Å; R191-F199 HydrophobicContact CB-CE2 3.77Å; R191-F199 HydrophobicContact CB-CZ 4.26Å; R191-F199 HydrophobicContact CG-CE2 4.31Å; R191-F199 HydrophobicContact CG-CZ 4.5Å; R191-V610 HydrophobicContact CB-CG2 4.23Å; R191-V610 HydrophobicContact CG-CG2 4.31Å |
| 192 | P | 95.9 | Very high | 97 | Very high | 22 Ų | 22 | 51.7 Ų | 51.7 | 14% | 0.143 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -73.1 | -9.8 | 178.9 | 29.2 | -34.8 | 0 | 0 | 0 | 114.3 | S189 V190 V610 C613 | S189-P192 WeakPolarHBondContact O-CD 3.47Å; V190-P192 VanDerWaalsContact C-CD 3.43Å; V190-P192 VanDerWaalsContact C-N 3.35Å; P192-V610 HydrophobicContact CG-CG2 4.38Å; P192-C613 HydrophobicContact CB-CB 4.29Å; P192-C613 WeakPolarHBondContact CB-SG 3.4Å |
| 193 | L | 95 | Very high | 97 | Very high | 47 Ų | 47 | 54.8 Ų | 54.8 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -98.6 | -7.9 | -175.6 | -55.1 | 177.8 | 0 | 0 | 0 | 113.2 | V190 R191 F585 L587 | V190-L193 WeakPolarHBondContact O-CB 3.3Å; V190-L193 PolarHBondContact O-N 3.08Å; R191-L193 PolarHBondContact O-N 3.47Å; L193-F585 HydrophobicContact CD2-CB 4.2Å; L193-L587 HydrophobicContact CD1-CB 3.95Å; L193-L587 HydrophobicContact CD1-CD1 3.71Å; L193-L587 HydrophobicContact CD1-CG 4.42Å |
| 194 | M | 94.8 | Very high | 97 | Very high | 25 Ų | 25 | 56.2 Ų | 56.2 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -129.3 | 145.3 | -171.7 | -67.1 | 177.4 | 179.7 | 0 | 0 | 111.3 | V190 R191 E198 F199 M202 E680 | V190-M194 HydrophobicContact CB-CE 3.99Å; V190-M194 HydrophobicContact CB-SD 4.22Å; V190-M194 HydrophobicContact CG1-CE 4.46Å; V190-M194 HydrophobicContact CG2-CE 4.14Å; V190-M194 HydrophobicContact CG2-SD 4.05Å; V190-M194 PolarHBondContact O-N 3.4Å; R191-M194 PolarHBondContact NH1-O 2.96Å; M194-E198 HydrophobicContact CB-CB 3.95Å; M194-E198 HydrophobicContact CG-CB 4.3Å; M194-F199 HydrophobicContact CB-CB 4.25Å; M194-M202 HydrophobicContact CE-CB 4.49Å; M194-M202 HydrophobicContact CE-CE 4.12Å; M194-M202 HydrophobicContact CE-CG 4.3Å; M194-M202 HydrophobicContact SD-CB 4.03Å; M194-M202 HydrophobicContact SD-CG 4.28Å; M194-E680 VanDerWaalsContact CE-OE1 3.29Å; M194-E680 WeakPolarHBondContact CE-OE1 3.28Å |
| 195 | N | 96 | Very high | 97 | Very high | 87 Ų | 87 | 52 Ų | 52 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | trans | -72.1 | 172.2 | 166.9 | 72 | 52.9 | 0 | 0 | 0 | 111.4 | G197 E198 F199 | N195-G197 VanDerWaalsContact C-N 3.31Å; N195-G197 PolarHBondContact O-N 3.41Å; N195-G197 WeakPolarHBondContact OD1-CA 3.24Å; N195-G197 PolarHBondContact OD1-N 3.33Å; N195-E198 VanDerWaalsContact CG-CD 3.49Å; N195-E198 VanDerWaalsContact CG-OE2 3.23Å; N195-E198 PolarHBondContact N-OE2 3.15Å; N195-E198 PolarHBondContact ND2-OE1 2.98Å; N195-E198 PolarHBondContact ND2-OE2 3.31Å; N195-E198 PolarHBondContact O-N 3.28Å; N195-E198 PolarHBondContact OD1-N 3.36Å; N195-F199 VanDerWaalsContact O-CB 3.28Å; N195-F199 WeakPolarHBondContact O-CB 3.24Å; N195-F199 PolarHBondContact O-N 2.87Å | ||
| 196 | D | 96.9 | Very high | 97 | Very high | 87 Ų | 87 | 50.1 Ų | 50.1 | 47% | 0.465 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.5 | -33.9 | -175.3 | -70.7 | -1.1 | 0 | 0 | 0 | 114 | R191 R200 | R191-D196 IonicContact CZ-OD1 2.91Å; R191-D196 VanDerWaalsContact CZ-OD1 3.31Å; R191-D196 IonicContact NH1-OD1 3.5Å; R191-D196 PolarHBondContact NH1-OD1 3.25Å; R191-D196 VanDerWaalsContact NH1-OD1 3.08Å; R191-D196 IonicContact NH2-OD1 2.75Å; R191-D196 PolarHBondContact NH2-OD1 2.76Å; D196-R200 WeakPolarHBondContact O-CB 3.42Å; D196-R200 VanDerWaalsContact O-CG 3.32Å; D196-R200 WeakPolarHBondContact O-CG 3.48Å; D196-R200 PolarHBondContact O-N 2.93Å; D196-R200 VanDerWaalsContact O-N 3.09Å; D196-R200 PolarHBondContact O-NE 2.88Å |
| 197 | G | 97.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 55.5 Ų | 55.5 | 36% | 0.361 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70 | -49.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | N195 F199 R200 R201 | N195-G197 VanDerWaalsContact C-N 3.31Å; N195-G197 PolarHBondContact O-N 3.41Å; N195-G197 WeakPolarHBondContact OD1-CA 3.24Å; N195-G197 PolarHBondContact OD1-N 3.33Å; G197-F199 VanDerWaalsContact C-N 3.35Å; G197-F199 PolarHBondContact O-N 2.9Å; G197-R200 PolarHBondContact O-N 3.41Å; G197-R201 PolarHBondContact O-N 2.87Å; G197-R201 VanDerWaalsContact O-N 3.11Å |
| 198 | E | 96.3 | Very high | 96.9 | Very high | 89 Ų | 89 | 58.8 Ų | 58.8 | 42% | 0.416 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 175.5 | -71.4 | 164.1 | 169.6 | 0 | 0 | 111.3 | M194 N195 R200 R201 M202 | M194-E198 HydrophobicContact CB-CB 3.95Å; M194-E198 HydrophobicContact CG-CB 4.3Å; N195-E198 VanDerWaalsContact CG-CD 3.49Å; N195-E198 VanDerWaalsContact CG-OE2 3.23Å; N195-E198 PolarHBondContact N-OE2 3.15Å; N195-E198 PolarHBondContact ND2-OE1 2.98Å; N195-E198 PolarHBondContact ND2-OE2 3.31Å; N195-E198 PolarHBondContact O-N 3.28Å; N195-E198 PolarHBondContact OD1-N 3.36Å; E198-R200 PolarHBondContact O-N 3.05Å; E198-R201 WeakPolarHBondContact O-CB 3.36Å; E198-R201 PolarHBondContact O-N 3.3Å; E198-M202 PolarHBondContact O-N 2.77Å |
| 199 | F | 97.3 | Very high | 97 | Very high | 37 Ų | 37 | 55.1 Ų | 55.1 | 16% | 0.162 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | -179.9 | -172.1 | -100.8 | 0 | 0 | 0 | 112.1 | L187 V190 R191 M194 N195 G197 R201 M202 E203 | L187-F199 HydrophobicContact CB-CE2 4.42Å; L187-F199 HydrophobicContact CB-CZ 4.31Å; L187-F199 HydrophobicContact CD2-CE2 4.39Å; L187-F199 VanDerWaalsContact O-CE2 3.32Å; L187-F199 WeakPolarHBondContact O-CE2 3.3Å; V190-F199 HydrophobicContact CG2-CE2 4.39Å; R191-F199 HydrophobicContact CB-CD2 4.25Å; R191-F199 HydrophobicContact CB-CE2 3.77Å; R191-F199 HydrophobicContact CB-CZ 4.26Å; R191-F199 HydrophobicContact CG-CE2 4.31Å; R191-F199 HydrophobicContact CG-CZ 4.5Å; M194-F199 HydrophobicContact CB-CB 4.25Å; N195-F199 VanDerWaalsContact O-CB 3.28Å; N195-F199 WeakPolarHBondContact O-CB 3.24Å; N195-F199 PolarHBondContact O-N 2.87Å; G197-F199 VanDerWaalsContact C-N 3.35Å; G197-F199 PolarHBondContact O-N 2.9Å; F199-R201 VanDerWaalsContact C-N 3.32Å; F199-R201 PolarHBondContact O-N 3.07Å; F199-M202 PolarHBondContact O-N 2.85Å; F199-E203 VanDerWaalsContact O-CB 3.32Å; F199-E203 WeakPolarHBondContact O-CB 3.46Å; F199-E203 PolarHBondContact O-N 3.34Å |
| 200 | R | 98.2 | Very high | 97 | Very high | 163 Ų | 163 | 56 Ų | 56 | 62% | 0.615 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.2 | -40 | 174.9 | -79.2 | -172.6 | -65.1 | -103.1 | 1.5 | 112.2 | D196 G197 E198 E203 G204 | D196-R200 WeakPolarHBondContact O-CB 3.42Å; D196-R200 VanDerWaalsContact O-CG 3.32Å; D196-R200 WeakPolarHBondContact O-CG 3.48Å; D196-R200 PolarHBondContact O-N 2.93Å; D196-R200 VanDerWaalsContact O-N 3.09Å; D196-R200 PolarHBondContact O-NE 2.88Å; G197-R200 PolarHBondContact O-N 3.41Å; E198-R200 PolarHBondContact O-N 3.05Å; R200-E203 PolarHBondContact O-N 2.95Å; R200-G204 PolarHBondContact O-N 3.44Å |
| 201 | R | 97.8 | Very high | 97.1 | Very high | 122 Ų | 122 | 64 Ų | 64 | 46% | 0.46 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.6 | -47.7 | 175.8 | -174.3 | -175 | 63.1 | 75.2 | 3.1 | 111.2 | G197 E198 F199 E203 G204 L205 E676 | G197-R201 PolarHBondContact O-N 2.87Å; G197-R201 VanDerWaalsContact O-N 3.11Å; E198-R201 WeakPolarHBondContact O-CB 3.36Å; E198-R201 PolarHBondContact O-N 3.3Å; F199-R201 VanDerWaalsContact C-N 3.32Å; F199-R201 PolarHBondContact O-N 3.07Å; R201-E203 VanDerWaalsContact C-N 3.31Å; R201-E203 PolarHBondContact O-N 3.25Å; R201-G204 PolarHBondContact O-N 3.3Å; R201-G204 VanDerWaalsContact O-N 3.14Å; R201-L205 PolarHBondContact O-N 3.28Å; R201-E676 IonicContact CZ-OE1 2.88Å; R201-E676 IonicContact CZ-OE2 3Å; R201-E676 IonicContact NH1-OE1 2.84Å; R201-E676 IonicContact NH1-OE2 3.69Å; R201-E676 PolarHBondContact NH1-OE2 3.35Å; R201-E676 IonicContact NH2-OE1 3.2Å; R201-E676 PolarHBondContact NH2-OE1 2.67Å; R201-E676 IonicContact NH2-OE2 3.24Å; R201-E676 PolarHBondContact NH2-OE2 2.88Å |
| 202 | M | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 177.7 | -178.9 | 52 | 71 | 0 | 0 | 111.5 | Y186 L187 M194 E198 F199 G204 L205 A206 F673 E676 | Y186-M202 HydrophobicContact CE1-CG 3.81Å; Y186-M202 HydrophobicContact CE1-SD 3.72Å; Y186-M202 WeakPolarHBondContact OH-CE 3.26Å; L187-M202 HydrophobicContact CD2-CG 4.01Å; M194-M202 HydrophobicContact CE-CB 4.49Å; M194-M202 HydrophobicContact CE-CE 4.12Å; M194-M202 HydrophobicContact CE-CG 4.3Å; M194-M202 HydrophobicContact SD-CB 4.03Å; M194-M202 HydrophobicContact SD-CG 4.28Å; E198-M202 PolarHBondContact O-N 2.77Å; F199-M202 PolarHBondContact O-N 2.85Å; M202-G204 VanDerWaalsContact C-N 3.3Å; M202-G204 PolarHBondContact O-N 3.31Å; M202-L205 PolarHBondContact O-N 3.34Å; M202-A206 WeakPolarHBondContact O-CB 3.06Å; M202-A206 PolarHBondContact O-N 3.27Å; M202-F673 HydrophobicContact SD-CD2 3.82Å; M202-F673 HydrophobicContact SD-CE2 3.93Å; M202-E676 HydrophobicContact CE-CB 4.12Å; M202-E676 HydrophobicContact CE-CG 3.7Å; M202-E676 WeakPolarHBondContact CE-OE1 3.29Å |
| 203 | E | 97.9 | Very high | 97.1 | Very high | 66 Ų | 66 | 65 Ų | 65 | 31% | 0.308 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 174.4 | -162.4 | -164.5 | -158.1 | 0 | 0 | 111.5 | L187 F199 R200 R201 A206 K207 | L187-E203 HydrophobicContact CD1-CG 4.11Å; L187-E203 HydrophobicContact CD2-CB 4.44Å; F199-E203 VanDerWaalsContact O-CB 3.32Å; F199-E203 WeakPolarHBondContact O-CB 3.46Å; F199-E203 PolarHBondContact O-N 3.34Å; R200-E203 PolarHBondContact O-N 2.95Å; R201-E203 VanDerWaalsContact C-N 3.31Å; R201-E203 PolarHBondContact O-N 3.25Å; E203-A206 PolarHBondContact O-N 3.21Å; E203-K207 VanDerWaalsContact CD-CE 3.44Å; E203-K207 HydrophobicContact CG-CD 4.13Å; E203-K207 VanDerWaalsContact O-CB 3.31Å; E203-K207 WeakPolarHBondContact O-CB 3.36Å; E203-K207 VanDerWaalsContact O-CG 3.25Å; E203-K207 WeakPolarHBondContact O-CG 3.44Å; E203-K207 PolarHBondContact O-N 3.32Å; E203-K207 VanDerWaalsContact OE1-CE 3.25Å; E203-K207 WeakPolarHBondContact OE1-CE 3.43Å; E203-K207 IonicContact OE1-NZ 3.16Å; E203-K207 PolarHBondContact OE1-NZ 3.41Å; E203-K207 IonicContact OE2-NZ 2.73Å; E203-K207 PolarHBondContact OE2-NZ 3.39Å |
| 204 | G | 98.1 | Very high | 97.2 | Very high | 39 Ų | 39 | 62.7 Ų | 62.7 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.3 | -51.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R200 R201 M202 A206 K207 D208 | R200-G204 PolarHBondContact O-N 3.44Å; R201-G204 PolarHBondContact O-N 3.3Å; R201-G204 VanDerWaalsContact O-N 3.14Å; M202-G204 VanDerWaalsContact C-N 3.3Å; M202-G204 PolarHBondContact O-N 3.31Å; G204-A206 VanDerWaalsContact C-N 3.33Å; G204-A206 PolarHBondContact O-N 2.84Å; G204-K207 PolarHBondContact O-N 3.34Å; G204-D208 WeakPolarHBondContact O-CB 3.48Å; G204-D208 PolarHBondContact O-N 3.01Å |
| 205 | L | 98 | Very high | 97.3 | Very high | 39 Ų | 39 | 64.8 Ų | 64.8 | 20% | 0.204 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 177.4 | -67.8 | -176.2 | 0 | 0 | 0 | 112.3 | R201 M202 F209 P672 F673 | R201-L205 PolarHBondContact O-N 3.28Å; M202-L205 PolarHBondContact O-N 3.34Å; L205-F209 VanDerWaalsContact O-CB 3.29Å; L205-F209 WeakPolarHBondContact O-CB 3.37Å; L205-F209 PolarHBondContact O-N 2.87Å; L205-P672 HydrophobicContact CD1-CB 4.43Å; L205-P672 HydrophobicContact CD2-CB 4.06Å; L205-F673 HydrophobicContact CB-CB 4.24Å; L205-F673 HydrophobicContact CB-CD2 4.4Å |
| 206 | A | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.3 | -41.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V183 L187 M202 E203 G204 A210 F673 | V183-A206 HydrophobicContact CG1-CB 3.74Å; L187-A206 HydrophobicContact CD1-CB 4.02Å; L187-A206 HydrophobicContact CD2-CB 3.93Å; L187-A206 HydrophobicContact CG-CB 4.17Å; M202-A206 WeakPolarHBondContact O-CB 3.06Å; M202-A206 PolarHBondContact O-N 3.27Å; E203-A206 PolarHBondContact O-N 3.21Å; G204-A206 VanDerWaalsContact C-N 3.33Å; G204-A206 PolarHBondContact O-N 2.84Å; A206-A210 VanDerWaalsContact O-CB 3.29Å; A206-A210 WeakPolarHBondContact O-CB 3.22Å; A206-A210 PolarHBondContact O-N 2.86Å; A206-F673 HydrophobicContact CB-CD2 3.84Å; A206-F673 HydrophobicContact CB-CE2 3.53Å; A206-F673 HydrophobicContact CB-CZ 4.26Å |
| 207 | K | 97 | Very high | 97.3 | Very high | 114 Ų | 114 | 63 Ų | 63 | 50% | 0.496 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.4 | -46.8 | 175.2 | -77.4 | 171.7 | 179.8 | 165.4 | 0 | 111.4 | E203 G204 A210 F211 | E203-K207 VanDerWaalsContact CD-CE 3.44Å; E203-K207 HydrophobicContact CG-CD 4.13Å; E203-K207 VanDerWaalsContact O-CB 3.31Å; E203-K207 WeakPolarHBondContact O-CB 3.36Å; E203-K207 VanDerWaalsContact O-CG 3.25Å; E203-K207 WeakPolarHBondContact O-CG 3.44Å; E203-K207 PolarHBondContact O-N 3.32Å; E203-K207 VanDerWaalsContact OE1-CE 3.25Å; E203-K207 WeakPolarHBondContact OE1-CE 3.43Å; E203-K207 IonicContact OE1-NZ 3.16Å; E203-K207 PolarHBondContact OE1-NZ 3.41Å; E203-K207 IonicContact OE2-NZ 2.73Å; E203-K207 PolarHBondContact OE2-NZ 3.39Å; G204-K207 PolarHBondContact O-N 3.34Å; K207-A210 PolarHBondContact O-N 3.02Å; K207-F211 WeakPolarHBondContact O-CB 3.39Å; K207-F211 PolarHBondContact O-N 3.25Å |
| 208 | D | 97.7 | Very high | 97.3 | Very high | 88 Ų | 88 | 62 Ų | 62 | 47% | 0.471 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.8 | -49.1 | 175.5 | 176.8 | 68.4 | 0 | 0 | 0 | 111.2 | G204 A210 F211 N212 | G204-D208 WeakPolarHBondContact O-CB 3.48Å; G204-D208 PolarHBondContact O-N 3.01Å; D208-A210 PolarHBondContact O-N 3.06Å; D208-F211 PolarHBondContact O-N 2.95Å; D208-N212 WeakPolarHBondContact O-CB 3.43Å; D208-N212 PolarHBondContact O-N 2.91Å; D208-N212 PolarHBondContact OD1-ND2 3.17Å |
| 209 | F | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 1% | 0.013 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58 | -47.7 | 176.1 | 175 | -104.3 | 0 | 0 | 0 | 112.2 | V179 V183 L205 F211 L213 G214 L217 L660 S671 F673 L674 | V179-F209 HydrophobicContact CG1-CD1 4.26Å; V179-F209 HydrophobicContact CG1-CE1 3.92Å; V183-F209 HydrophobicContact CG2-CD1 4.2Å; L205-F209 VanDerWaalsContact O-CB 3.29Å; L205-F209 WeakPolarHBondContact O-CB 3.37Å; L205-F209 PolarHBondContact O-N 2.87Å; F209-F211 VanDerWaalsContact C-N 3.27Å; F209-F211 PolarHBondContact O-N 3.01Å; F209-L213 HydrophobicContact CD2-CB 4.14Å; F209-L213 HydrophobicContact CD2-CD2 4.42Å; F209-L213 HydrophobicContact CD2-CG 4.46Å; F209-L213 HydrophobicContact CE2-CB 4.36Å; F209-L213 HydrophobicContact CE2-CD2 4.33Å; F209-L213 HydrophobicContact CE2-CG 4.27Å; F209-L213 PolarHBondContact O-N 3.4Å; F209-G214 WeakPolarHBondContact O-CA 3.35Å; F209-G214 PolarHBondContact O-N 3.32Å; F209-L217 HydrophobicContact CE2-CD1 3.78Å; F209-L217 HydrophobicContact CZ-CD1 4.11Å; F209-L660 HydrophobicContact CE1-CD1 4.28Å; F209-L660 HydrophobicContact CZ-CD1 4.13Å; F209-S671 WeakPolarHBondContact CD2-OG 3.38Å; F209-F673 HydrophobicContact CB-CB 3.84Å; F209-F673 HydrophobicContact CB-CD1 3.81Å; F209-F673 HydrophobicContact CB-CG 3.93Å; F209-F673 AromaticContact CD1-CD1 3.36Å; F209-F673 HydrophobicContact CD1-CD1 3.36Å; F209-F673 AromaticContact CD1-CE1 3.6Å; F209-F673 HydrophobicContact CD1-CE1 3.6Å; F209-F673 HydrophobicContact CD1-CG 4.32Å; F209-F673 HydrophobicContact CD2-CD1 4.13Å; F209-F673 AromaticContact CE1-CD1 3.92Å; F209-F673 HydrophobicContact CE1-CD1 3.92Å; F209-F673 AromaticContact CE1-CE1 3.96Å; F209-F673 HydrophobicContact CE1-CE1 3.96Å; F209-F673 HydrophobicContact CG-CB 4.21Å; F209-F673 AromaticContact CG-CD1 3.48Å; F209-F673 HydrophobicContact CG-CD1 3.48Å; F209-F673 VanDerWaalsContact CG-CD1 3.48Å; F209-F673 HydrophobicContact CG-CE1 4.2Å; F209-F673 HydrophobicContact CG-CG 4.1Å; F209-L674 HydrophobicContact CD2-CG 4.38Å; F209-L674 HydrophobicContact CE1-CD2 4.27Å; F209-L674 HydrophobicContact CE2-CD1 3.63Å; F209-L674 HydrophobicContact CE2-CD2 4.2Å; F209-L674 HydrophobicContact CE2-CG 3.77Å; F209-L674 HydrophobicContact CZ-CD1 3.87Å; F209-L674 HydrophobicContact CZ-CD2 3.82Å; F209-L674 HydrophobicContact CZ-CG 3.92Å |
| 210 | A | 97.3 | Very high | 97.1 | Very high | 30 Ų | 30 | 67 Ų | 67 | 25% | 0.248 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.8 | -29.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V179 V183 A206 K207 D208 P215 | V179-A210 HydrophobicContact CG1-CB 4.22Å; V183-A210 HydrophobicContact CG2-CB 4.3Å; A206-A210 VanDerWaalsContact O-CB 3.29Å; A206-A210 WeakPolarHBondContact O-CB 3.22Å; A206-A210 PolarHBondContact O-N 2.86Å; K207-A210 PolarHBondContact O-N 3.02Å; D208-A210 PolarHBondContact O-N 3.06Å; A210-P215 WeakPolarHBondContact O-CD 3.32Å |
| 211 | F | 96.7 | Very high | 96.8 | Very high | 168 Ų | 168 | 59.2 Ų | 59.2 | 74% | 0.737 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -87 | -42.7 | 179.6 | -172 | -98.5 | 0 | 0 | 0 | 112.6 | K207 D208 F209 | K207-F211 WeakPolarHBondContact O-CB 3.39Å; K207-F211 PolarHBondContact O-N 3.25Å; D208-F211 PolarHBondContact O-N 2.95Å; F209-F211 VanDerWaalsContact C-N 3.27Å; F209-F211 PolarHBondContact O-N 3.01Å |
| 212 | N | 95.8 | Very high | 96.6 | Very high | 91 Ų | 91 | 58.2 Ų | 58.2 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -82.9 | -172.2 | -69.1 | -48.4 | 0 | 0 | 0 | 112.4 | D208 P215 | D208-N212 WeakPolarHBondContact O-CB 3.43Å; D208-N212 PolarHBondContact O-N 2.91Å; D208-N212 PolarHBondContact OD1-ND2 3.17Å; N212-P215 WeakPolarHBondContact O-CD 3.49Å |
| 213 | L | 96.5 | Very high | 96.3 | Very high | 34 Ų | 34 | 61 Ų | 61 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -74.9 | -36.7 | -168.6 | -179.6 | 59.8 | 0 | 0 | 0 | 113.5 | F209 R216 L217 V669 | F209-L213 HydrophobicContact CD2-CB 4.14Å; F209-L213 HydrophobicContact CD2-CD2 4.42Å; F209-L213 HydrophobicContact CD2-CG 4.46Å; F209-L213 HydrophobicContact CE2-CB 4.36Å; F209-L213 HydrophobicContact CE2-CD2 4.33Å; F209-L213 HydrophobicContact CE2-CG 4.27Å; F209-L213 PolarHBondContact O-N 3.4Å; L213-R216 WeakPolarHBondContact O-CB 3.45Å; L213-R216 PolarHBondContact O-N 3.05Å; L213-R216 VanDerWaalsContact O-N 3.13Å; L213-L217 HydrophobicContact CD1-CD1 4.4Å; L213-L217 HydrophobicContact CD1-CD2 4.16Å; L213-L217 HydrophobicContact CD1-CG 4.07Å; L213-L217 HydrophobicContact CD2-CD1 4.16Å; L213-L217 HydrophobicContact CG-CD1 3.85Å; L213-L217 HydrophobicContact CG-CD2 4.49Å; L213-L217 HydrophobicContact CG-CG 3.98Å; L213-L217 PolarHBondContact O-N 2.74Å; L213-L217 VanDerWaalsContact O-N 3.15Å; L213-V669 HydrophobicContact CD1-CG2 3.97Å; L213-V669 HydrophobicContact CD2-CG2 4.32Å |
| 214 | G | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -53.1 | -49.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F209 R216 L217 Q218 | F209-G214 WeakPolarHBondContact O-CA 3.35Å; F209-G214 PolarHBondContact O-N 3.32Å; G214-R216 VanDerWaalsContact C-N 3.29Å; G214-R216 PolarHBondContact O-N 3.28Å; G214-L217 PolarHBondContact O-N 2.93Å; G214-Q218 VanDerWaalsContact O-CB 3.29Å; G214-Q218 WeakPolarHBondContact O-CB 3.47Å; G214-Q218 PolarHBondContact O-N 3.25Å |
| 215 | P | 97.2 | Very high | 95.5 | Very high | 68 Ų | 68 | 58.6 Ų | 58.6 | 44% | 0.442 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.5 | -38.2 | 176.8 | -28.6 | 35.8 | 0 | 0 | 0 | 114.1 | A210 N212 W219 | A210-P215 WeakPolarHBondContact O-CD 3.32Å; N212-P215 WeakPolarHBondContact O-CD 3.49Å; P215-W219 PolarHBondContact O-N 2.91Å; P215-W219 VanDerWaalsContact O-N 3.12Å |
| 216 | R | 96.7 | Very high | 95 | Very high | 138 Ų | 138 | 64.5 Ų | 64.5 | 52% | 0.521 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.5 | -48.2 | 176.8 | -176.6 | 178.3 | 177.3 | -177.3 | -2.5 | 111 | L213 G214 Q218 W219 Y220 | L213-R216 WeakPolarHBondContact O-CB 3.45Å; L213-R216 PolarHBondContact O-N 3.05Å; L213-R216 VanDerWaalsContact O-N 3.13Å; G214-R216 VanDerWaalsContact C-N 3.29Å; G214-R216 PolarHBondContact O-N 3.28Å; R216-Q218 VanDerWaalsContact C-N 3.34Å; R216-Q218 PolarHBondContact O-N 3.11Å; R216-W219 WeakPolarHBondContact O-CB 3.43Å; R216-W219 PolarHBondContact O-N 2.77Å; R216-Y220 HydrophobicContact CG-CE2 4.2Å; R216-Y220 VanDerWaalsContact O-CD2 3.29Å; R216-Y220 WeakPolarHBondContact O-CD2 3.34Å |
| 217 | L | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 177.7 | -58.4 | -178.3 | 0 | 0 | 0 | 111.6 | F209 L213 G214 W219 Y220 L221 L660 V663 L667 V669 L674 | F209-L217 HydrophobicContact CE2-CD1 3.78Å; F209-L217 HydrophobicContact CZ-CD1 4.11Å; L213-L217 HydrophobicContact CD1-CD1 4.4Å; L213-L217 HydrophobicContact CD1-CD2 4.16Å; L213-L217 HydrophobicContact CD1-CG 4.07Å; L213-L217 HydrophobicContact CD2-CD1 4.16Å; L213-L217 HydrophobicContact CG-CD1 3.85Å; L213-L217 HydrophobicContact CG-CD2 4.49Å; L213-L217 HydrophobicContact CG-CG 3.98Å; L213-L217 PolarHBondContact O-N 2.74Å; L213-L217 VanDerWaalsContact O-N 3.15Å; G214-L217 PolarHBondContact O-N 2.93Å; L217-W219 VanDerWaalsContact C-N 3.26Å; L217-W219 PolarHBondContact O-N 2.85Å; L217-Y220 PolarHBondContact O-N 3.46Å; L217-L221 PolarHBondContact O-N 2.73Å; L217-L660 HydrophobicContact CB-CD2 3.65Å; L217-L660 HydrophobicContact CD1-CB 4.38Å; L217-V663 HydrophobicContact CB-CG1 4.31Å; L217-V663 HydrophobicContact CD2-CB 4.3Å; L217-V663 HydrophobicContact CD2-CG1 3.72Å; L217-L667 HydrophobicContact CD2-CD1 3.76Å; L217-V669 HydrophobicContact CD2-CG2 4.31Å; L217-L674 HydrophobicContact CD1-CD1 3.79Å |
| 218 | Q | 97.4 | Very high | 94 | Very high | 12 Ų | 12 | 70.2 Ų | 70.2 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.4 | -38.5 | 175.9 | -177.2 | 75.4 | 28.9 | 0 | 0 | 112.2 | P177 V179 G214 R216 L221 K222 H656 | P177-Q218 PolarHBondContact O-NE2 3.03Å; P177-Q218 PolarHBondContact O-OE1 3.1Å; V179-Q218 HydrophobicContact CG2-CB 3.79Å; V179-Q218 HydrophobicContact CG2-CG 4.11Å; G214-Q218 VanDerWaalsContact O-CB 3.29Å; G214-Q218 WeakPolarHBondContact O-CB 3.47Å; G214-Q218 PolarHBondContact O-N 3.25Å; R216-Q218 VanDerWaalsContact C-N 3.34Å; R216-Q218 PolarHBondContact O-N 3.11Å; Q218-L221 PolarHBondContact O-N 2.99Å; Q218-K222 HydrophobicContact CG-CD 4.3Å; Q218-K222 HydrophobicContact CG-CG 4.47Å; Q218-K222 WeakPolarHBondContact O-CB 3.29Å; Q218-K222 WeakPolarHBondContact O-CG 3.38Å; Q218-K222 PolarHBondContact O-N 2.93Å; Q218-H656 PolarHBondContact OE1-CE1 3.23Å; Q218-H656 PolarHBondContact OE1-NE2 3.18Å |
| 219 | W | 96 | Very high | 93.5 | Very high | 145 Ų | 145 | 68.4 Ų | 68.4 | 55% | 0.549 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -46.9 | 179.7 | -178.2 | 90.1 | 0 | 0 | 0 | 111.7 | P215 R216 L217 L221 K222 L223 | P215-W219 PolarHBondContact O-N 2.91Å; P215-W219 VanDerWaalsContact O-N 3.12Å; R216-W219 WeakPolarHBondContact O-CB 3.43Å; R216-W219 PolarHBondContact O-N 2.77Å; L217-W219 VanDerWaalsContact C-N 3.26Å; L217-W219 PolarHBondContact O-N 2.85Å; W219-L221 VanDerWaalsContact C-N 3.31Å; W219-L221 PolarHBondContact O-N 3.01Å; W219-K222 PolarHBondContact O-N 3.01Å; W219-L223 HydrophobicContact CH2-CD2 4.21Å; W219-L223 HydrophobicContact CZ3-CD2 4.23Å; W219-L223 PolarHBondContact O-N 2.64Å |
| 220 | Y | 93.3 | Very high | 93.4 | Very high | 86 Ų | 86 | 68.5 Ų | 68.5 | 34% | 0.337 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 174.8 | -71.6 | -79.1 | 0 | 0 | 0 | 112.1 | R216 L217 L223 K224 V663 L667 | R216-Y220 HydrophobicContact CG-CE2 4.2Å; R216-Y220 VanDerWaalsContact O-CD2 3.29Å; R216-Y220 WeakPolarHBondContact O-CD2 3.34Å; L217-Y220 PolarHBondContact O-N 3.46Å; Y220-L223 WeakPolarHBondContact O-CB 3.34Å; Y220-L223 PolarHBondContact O-N 2.92Å; Y220-K224 PolarHBondContact O-N 3.22Å; Y220-V663 HydrophobicContact CD2-CG1 4.24Å; Y220-V663 HydrophobicContact CG-CG1 4.25Å; Y220-L667 HydrophobicContact CD2-CD1 3.84Å; Y220-L667 HydrophobicContact CE1-CD2 4.47Å; Y220-L667 HydrophobicContact CE2-CD1 3.66Å; Y220-L667 HydrophobicContact CE2-CD2 4.03Å; Y220-L667 HydrophobicContact CE2-CG 4.45Å |
| 221 | L | 91.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 177.8 | -167.4 | 58.2 | 0 | 0 | 0 | 112.3 | V176 L217 Q218 W219 K224 S225 Y231 W235 H656 C659 L660 | V176-L221 HydrophobicContact CG1-CB 4.49Å; V176-L221 HydrophobicContact CG1-CD2 3.72Å; V176-L221 HydrophobicContact CG1-CG 3.89Å; L217-L221 PolarHBondContact O-N 2.73Å; Q218-L221 PolarHBondContact O-N 2.99Å; W219-L221 VanDerWaalsContact C-N 3.31Å; W219-L221 PolarHBondContact O-N 3.01Å; L221-K224 PolarHBondContact O-N 3.5Å; L221-S225 PolarHBondContact O-N 3.42Å; L221-Y231 HydrophobicContact CD1-CD2 3.53Å; L221-Y231 HydrophobicContact CD1-CE2 4.11Å; L221-Y231 HydrophobicContact CD1-CG 4.4Å; L221-Y231 HydrophobicContact CD2-CD2 4.27Å; L221-Y231 HydrophobicContact CD2-CE2 4.01Å; L221-Y231 HydrophobicContact CG-CD2 3.98Å; L221-Y231 HydrophobicContact CG-CE2 4.21Å; L221-W235 HydrophobicContact CD1-CZ3 4.01Å; L221-H656 VanDerWaalsContact CD2-CD2 3.48Å; L221-H656 WeakPolarHBondContact CD2-CD2 3.48Å; L221-C659 HydrophobicContact CD1-CB 3.7Å; L221-C659 HydrophobicContact CD2-CB 3.94Å; L221-L660 HydrophobicContact CD2-CD2 4.06Å; L221-L660 HydrophobicContact CD2-CG 4.3Å |
| 222 | K | 94.7 | Very high | 93.1 | Very high | 101 Ų | 101 | 59.7 Ų | 59.7 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 171.2 | -75.5 | 176.4 | 177.4 | -179.8 | 0 | 111.1 | Q218 W219 K224 S225 W226 | Q218-K222 HydrophobicContact CG-CD 4.3Å; Q218-K222 HydrophobicContact CG-CG 4.47Å; Q218-K222 WeakPolarHBondContact O-CB 3.29Å; Q218-K222 WeakPolarHBondContact O-CG 3.38Å; Q218-K222 PolarHBondContact O-N 2.93Å; W219-K222 PolarHBondContact O-N 3.01Å; K222-K224 PolarHBondContact O-N 3.35Å; K222-S225 WeakPolarHBondContact O-CB 3.34Å; K222-S225 PolarHBondContact O-N 2.87Å; K222-S225 VanDerWaalsContact O-N 3.11Å; K222-S225 PolarHBondContact O-OG 3.12Å; K222-W226 PolarHBondContact O-N 2.98Å |
| 223 | L | 90.4 | Very high | 92.9 | Very high | 58 Ų | 58 | 56.2 Ų | 56.2 | 30% | 0.304 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.4 | -48.4 | 174.5 | -176.4 | 63.6 | 0 | 0 | 0 | 110.8 | W219 Y220 S225 W226 W227 | W219-L223 HydrophobicContact CH2-CD2 4.21Å; W219-L223 HydrophobicContact CZ3-CD2 4.23Å; W219-L223 PolarHBondContact O-N 2.64Å; Y220-L223 WeakPolarHBondContact O-CB 3.34Å; Y220-L223 PolarHBondContact O-N 2.92Å; L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3.24Å; L223-W226 HydrophobicContact CD1-CE3 3.78Å; L223-W226 HydrophobicContact CD1-CZ3 4.08Å; L223-W226 WeakPolarHBondContact O-CB 3.35Å; L223-W226 PolarHBondContact O-N 2.98Å; L223-W227 VanDerWaalsContact O-CD1 3.27Å |
| 224 | K | 90.4 | Very high | 92.6 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 14% | 0.143 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56 | -41.6 | 174.5 | 177.1 | 171.3 | 165.2 | 68.9 | 0 | 112.1 | Y220 L221 K222 W226 W227 A228 Y231 D234 W235 | Y220-K224 PolarHBondContact O-N 3.22Å; L221-K224 PolarHBondContact O-N 3.5Å; K222-K224 PolarHBondContact O-N 3.35Å; K224-W226 PolarHBondContact O-N 2.92Å; K224-W227 PolarHBondContact O-N 3.07Å; K224-W227 VanDerWaalsContact O-N 3.17Å; K224-A228 HydrophobicContact CG-CB 4.19Å; K224-A228 VanDerWaalsContact O-CB 3.28Å; K224-A228 WeakPolarHBondContact O-CB 3.42Å; K224-A228 PolarHBondContact O-N 3.02Å; K224-Y231 WeakPolarHBondContact CE-O 3.24Å; K224-D234 IonicContact NZ-OD1 3.7Å; K224-D234 PolarHBondContact NZ-OD1 3.1Å; K224-D234 IonicContact NZ-OD2 3.99Å; K224-D234 PolarHBondContact NZ-OD2 2.94Å; K224-W235 HydrophobicContact CD-CD2 4.17Å; K224-W235 HydrophobicContact CD-CE3 4.04Å; K224-W235 HydrophobicContact CD-CH2 3.38Å; K224-W235 HydrophobicContact CD-CZ2 3.5Å; K224-W235 HydrophobicContact CD-CZ3 3.67Å |
| 225 | S | 89.6 | Confident | 92.4 | Very high | 22 Ų | 22 | 59.6 Ų | 59.6 | 15% | 0.154 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64 | -21.8 | 179 | 81.7 | 0 | 0 | 0 | 0 | 114.6 | R173 L221 K222 L223 | R173-S225 PolarHBondContact NH1-O 3.33Å; L221-S225 PolarHBondContact O-N 3.42Å; K222-S225 WeakPolarHBondContact O-CB 3.34Å; K222-S225 PolarHBondContact O-N 2.87Å; K222-S225 VanDerWaalsContact O-N 3.11Å; K222-S225 PolarHBondContact O-OG 3.12Å; L223-S225 VanDerWaalsContact C-N 3.28Å; L223-S225 PolarHBondContact O-N 3.24Å |
| 226 | W | 86.4 | Confident | 92.1 | Very high | 164 Ų | 164 | 57.7 Ų | 57.7 | 62% | 0.621 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -77.1 | -34.5 | 175.6 | -62 | -16 | 0 | 0 | 0 | 112.3 | R173 K222 L223 K224 | R173-W226 PolarHBondContact NH1-O 3.34Å; K222-W226 PolarHBondContact O-N 2.98Å; L223-W226 HydrophobicContact CD1-CE3 3.78Å; L223-W226 HydrophobicContact CD1-CZ3 4.08Å; L223-W226 WeakPolarHBondContact O-CB 3.35Å; L223-W226 PolarHBondContact O-N 2.98Å; K224-W226 PolarHBondContact O-N 2.92Å |
| 227 | W | 86.2 | Confident | 91.9 | Very high | 215 Ų | 215 | 53 Ų | 53 | 81% | 0.814 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -95.5 | -35.6 | -176.4 | -66.3 | 97.6 | 0 | 0 | 0 | 113.5 | L223 K224 | L223-W227 VanDerWaalsContact O-CD1 3.27Å; K224-W227 PolarHBondContact O-N 3.07Å; K224-W227 VanDerWaalsContact O-N 3.17Å |
| 228 | A | 87.4 | Confident | 91.6 | Very high | 18 Ų | 18 | 55.4 Ų | 55.4 | 15% | 0.149 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -80.7 | 150.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K224 N230 | K224-A228 HydrophobicContact CG-CB 4.19Å; K224-A228 VanDerWaalsContact O-CB 3.28Å; K224-A228 WeakPolarHBondContact O-CB 3.42Å; K224-A228 PolarHBondContact O-N 3.02Å; A228-N230 VanDerWaalsContact C-N 3.32Å; A228-N230 WeakPolarHBondContact CB-O 2.98Å |
| 229 | T | 88.9 | Confident | 91.2 | Very high | 51 Ų | 51 | 57.6 Ų | 57.6 | 31% | 0.313 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -64.9 | -38.7 | 167.8 | 39.3 | 0 | 0 | 0 | 0 | 111.4 | R173 E599 | R173-T229 WeakPolarHBondContact CG-O 3.41Å; T229-E599 WeakPolarHBondContact CB-OE1 3.45Å; T229-E599 VanDerWaalsContact CB-OE2 3.3Å; T229-E599 WeakPolarHBondContact CB-OE2 3.25Å; T229-E599 VanDerWaalsContact OG1-CD 3.31Å; T229-E599 PolarHBondContact OG1-OE1 3.23Å; T229-E599 PolarHBondContact OG1-OE2 2.84Å |
| 230 | N | 94.9 | Very high | 90.8 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | trans | -144.3 | 133.3 | 171 | -169.6 | -46.8 | 0 | 0 | 0 | 108.5 | A228 V232 S233 R598 E599 | A228-N230 VanDerWaalsContact C-N 3.32Å; A228-N230 WeakPolarHBondContact CB-O 2.98Å; N230-V232 VanDerWaalsContact C-N 3.28Å; N230-V232 PolarHBondContact O-N 2.75Å; N230-V232 PolarHBondContact OD1-N 2.76Å; N230-S233 WeakPolarHBondContact CB-OG 3.33Å; N230-S233 PolarHBondContact ND2-OG 2.81Å; N230-S233 PolarHBondContact OD1-OG 3.43Å; N230-R598 PolarHBondContact ND2-O 3.26Å; N230-E599 HydrophobicContact CB-CB 4.07Å | ||
| 231 | Y | 94.2 | Very high | 90.8 | Very high | 4 Ų | 4 | 50.9 Ų | 50.9 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -6.8 | -175.7 | 77.2 | -89.1 | 0 | 0 | 0 | 113.7 | L174 P175 V176 P177 L221 K224 C659 | L174-Y231 HydrophobicContact CB-CD1 4.32Å; L174-Y231 HydrophobicContact CB-CE1 4.06Å; L174-Y231 HydrophobicContact CD2-CD1 4.38Å; L174-Y231 HydrophobicContact CD2-CE1 3.73Å; L174-Y231 HydrophobicContact CG-CE1 3.79Å; L174-Y231 WeakPolarHBondContact O-CD1 3.36Å; L174-Y231 WeakPolarHBondContact O-CE1 3.39Å; P175-Y231 VanDerWaalsContact O-CE1 3.24Å; P175-Y231 WeakPolarHBondContact O-CE1 3.38Å; P175-Y231 PolarHBondContact O-OH 3.25Å; V176-Y231 HydrophobicContact CB-CE1 4.48Å; V176-Y231 HydrophobicContact CG2-CD1 3.86Å; V176-Y231 HydrophobicContact CG2-CE1 3.87Å; V176-Y231 HydrophobicContact CG2-CG 4.21Å; P177-Y231 WeakPolarHBondContact CD-OH 3.33Å; L221-Y231 HydrophobicContact CD1-CD2 3.53Å; L221-Y231 HydrophobicContact CD1-CE2 4.11Å; L221-Y231 HydrophobicContact CD1-CG 4.4Å; L221-Y231 HydrophobicContact CD2-CD2 4.27Å; L221-Y231 HydrophobicContact CD2-CE2 4.01Å; L221-Y231 HydrophobicContact CG-CD2 3.98Å; L221-Y231 HydrophobicContact CG-CE2 4.21Å; K224-Y231 WeakPolarHBondContact CE-O 3.24Å; Y231-C659 HydrophobicContact CD2-CB 4.43Å; Y231-C659 HydrophobicContact CE2-CB 4.31Å |
| 232 | V | 94.8 | Very high | 90.9 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 5% | 0.048 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -42.8 | -177.8 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | L174 N230 D234 W235 W236 R655 | L174-V232 HydrophobicContact CD2-CB 4.12Å; L174-V232 HydrophobicContact CD2-CG2 3.55Å; N230-V232 VanDerWaalsContact C-N 3.28Å; N230-V232 PolarHBondContact O-N 2.75Å; N230-V232 PolarHBondContact OD1-N 2.76Å; V232-D234 PolarHBondContact O-N 3.25Å; V232-W235 PolarHBondContact O-N 3.3Å; V232-W236 HydrophobicContact CG1-CB 4.04Å; V232-W236 WeakPolarHBondContact O-CB 3.49Å; V232-W236 PolarHBondContact O-N 2.94Å; V232-R655 HydrophobicContact CG1-CB 4.04Å; V232-R655 HydrophobicContact CG1-CG 4.16Å; V232-R655 HydrophobicContact CG2-CB 4.25Å |
| 233 | S | 90.8 | Very high | 90.9 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -41.4 | -158.9 | -52 | 0 | 0 | 0 | 0 | 115.2 | N230 W236 E237 E599 | N230-S233 WeakPolarHBondContact CB-OG 3.33Å; N230-S233 PolarHBondContact ND2-OG 2.81Å; N230-S233 PolarHBondContact OD1-OG 3.43Å; S233-W236 PolarHBondContact O-N 3.23Å; S233-E237 WeakPolarHBondContact O-CB 3.44Å; S233-E237 PolarHBondContact O-N 3.24Å; S233-E599 PolarHBondContact OG-O 3.02Å |
| 234 | D | 89.6 | Confident | 90.9 | Very high | 77 Ų | 77 | 50.2 Ų | 50.2 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.1 | -46.8 | 178.8 | 59.2 | -22.9 | 0 | 0 | 0 | 111.6 | K224 V232 E237 E238 | K224-D234 IonicContact NZ-OD1 3.7Å; K224-D234 PolarHBondContact NZ-OD1 3.1Å; K224-D234 IonicContact NZ-OD2 3.99Å; K224-D234 PolarHBondContact NZ-OD2 2.94Å; V232-D234 PolarHBondContact O-N 3.25Å; D234-E237 PolarHBondContact O-N 3.39Å; D234-E238 WeakPolarHBondContact O-CB 3.38Å; D234-E238 PolarHBondContact O-N 2.99Å |
| 235 | W | 92.9 | Very high | 91.1 | Very high | 28 Ų | 28 | 51.6 Ų | 51.6 | 11% | 0.106 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.7 | -36.1 | 175.5 | -72 | -11.2 | 0 | 0 | 0 | 112.6 | L221 K224 V232 Y239 F658 C659 V662 V663 Y666 | L221-W235 HydrophobicContact CD1-CZ3 4.01Å; K224-W235 HydrophobicContact CD-CD2 4.17Å; K224-W235 HydrophobicContact CD-CE3 4.04Å; K224-W235 HydrophobicContact CD-CH2 3.38Å; K224-W235 HydrophobicContact CD-CZ2 3.5Å; K224-W235 HydrophobicContact CD-CZ3 3.67Å; V232-W235 PolarHBondContact O-N 3.3Å; W235-Y239 HydrophobicContact CB-CD2 3.91Å; W235-Y239 HydrophobicContact CB-CE2 4.18Å; W235-Y239 AromaticContact CD1-CE2 3.77Å; W235-Y239 HydrophobicContact CG-CD2 4.23Å; W235-Y239 AromaticContact CG-CE2 3.99Å; W235-Y239 HydrophobicContact CG-CE2 3.99Å; W235-Y239 WeakPolarHBondContact O-CB 3.28Å; W235-Y239 VanDerWaalsContact O-CD2 3.26Å; W235-Y239 WeakPolarHBondContact O-CD2 3.43Å; W235-Y239 PolarHBondContact O-N 2.91Å; W235-F658 HydrophobicContact CB-CE1 4.04Å; W235-F658 HydrophobicContact CB-CZ 4.3Å; W235-C659 HydrophobicContact CE3-CB 4.14Å; W235-C659 HydrophobicContact CZ3-CB 4.14Å; W235-V662 HydrophobicContact CD2-CB 4.4Å; W235-V662 HydrophobicContact CD2-CG1 3.68Å; W235-V662 HydrophobicContact CE3-CB 4.02Å; W235-V662 HydrophobicContact CE3-CG1 3.75Å; W235-V662 HydrophobicContact CG-CG1 4.23Å; W235-V662 HydrophobicContact CH2-CG1 4.09Å; W235-V662 HydrophobicContact CZ2-CG1 4.04Å; W235-V662 HydrophobicContact CZ3-CB 4.18Å; W235-V662 HydrophobicContact CZ3-CG1 3.95Å; W235-V663 HydrophobicContact CH2-CG2 3.71Å; W235-V663 HydrophobicContact CZ3-CG2 3.93Å; W235-Y666 HydrophobicContact CZ2-CD2 4.33Å; W235-Y666 AromaticContact CZ2-CE2 3.84Å; W235-Y666 HydrophobicContact CZ2-CE2 3.84Å |
| 236 | W | 92.3 | Very high | 91.4 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.8 | -46 | 176.2 | -173.1 | -102.7 | 0 | 0 | 0 | 111.4 | V232 S233 I240 Y241 R655 F658 | V232-W236 HydrophobicContact CG1-CB 4.04Å; V232-W236 WeakPolarHBondContact O-CB 3.49Å; V232-W236 PolarHBondContact O-N 2.94Å; S233-W236 PolarHBondContact O-N 3.23Å; W236-I240 HydrophobicContact CD2-CB 4.33Å; W236-I240 HydrophobicContact CD2-CG1 3.64Å; W236-I240 HydrophobicContact CE3-CB 4.45Å; W236-I240 HydrophobicContact CE3-CD1 4.03Å; W236-I240 HydrophobicContact CE3-CG1 3.33Å; W236-I240 HydrophobicContact CG-CG1 4.4Å; W236-I240 HydrophobicContact CH2-CB 4.44Å; W236-I240 HydrophobicContact CH2-CD1 4.01Å; W236-I240 HydrophobicContact CH2-CG1 3.68Å; W236-I240 HydrophobicContact CH2-CG2 4.1Å; W236-I240 HydrophobicContact CZ2-CB 4.33Å; W236-I240 HydrophobicContact CZ2-CG1 3.98Å; W236-I240 HydrophobicContact CZ2-CG2 3.9Å; W236-I240 HydrophobicContact CZ3-CD1 3.63Å; W236-I240 HydrophobicContact CZ3-CG1 3.37Å; W236-I240 VanDerWaalsContact O-CB 3.29Å; W236-I240 WeakPolarHBondContact O-CB 3.44Å; W236-I240 PolarHBondContact O-N 3.42Å; W236-Y241 AromaticContact CD1-CE2 3.72Å; W236-Y241 AromaticContact NE1-CE2 3.48Å; W236-Y241 AromaticContact NE1-CZ 3.84Å; W236-Y241 PolarHBondContact NE1-OH 3.12Å; W236-R655 VanDerWaalsContact CE3-CD 3.44Å; W236-R655 VanDerWaalsContact CH2-CZ 3.4Å; W236-F658 HydrophobicContact CE3-CD1 4.09Å; W236-F658 HydrophobicContact CE3-CE1 4.09Å; W236-F658 HydrophobicContact CE3-CG 4.46Å; W236-F658 HydrophobicContact CE3-CZ 4.46Å; W236-F658 HydrophobicContact CZ3-CG 4.48Å |
| 237 | E | 92.4 | Very high | 91.9 | Very high | 40 Ų | 40 | 45.2 Ų | 45.2 | 19% | 0.187 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -58 | -49.5 | 174.6 | -176.7 | 170.6 | 99.1 | 0 | 0 | 111.1 | S233 D234 Y241 L242 R310 L325 | S233-E237 WeakPolarHBondContact O-CB 3.44Å; S233-E237 PolarHBondContact O-N 3.24Å; D234-E237 PolarHBondContact O-N 3.39Å; E237-Y241 PolarHBondContact O-N 2.98Å; E237-L242 HydrophobicContact CG-CD1 4.02Å; E237-L242 HydrophobicContact CG-CG 4.44Å; E237-L242 WeakPolarHBondContact O-CG 3.23Å; E237-L242 PolarHBondContact O-N 2.97Å; E237-L242 VanDerWaalsContact O-N 3.16Å; E237-R310 IonicContact OE1-CZ 3.92Å; E237-R310 IonicContact OE1-NH1 2.87Å; E237-R310 PolarHBondContact OE1-NH1 2.98Å; E237-R310 IonicContact OE2-CZ 2.76Å; E237-R310 IonicContact OE2-NH1 3.86Å; E237-R310 PolarHBondContact OE2-NH1 3.47Å; E237-L325 HydrophobicContact CG-CD1 4.38Å |
| 238 | E | 88.7 | Confident | 92.4 | Very high | 51 Ų | 51 | 35.3 Ų | 35.3 | 24% | 0.238 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -68.3 | -57.9 | -175.7 | -173.5 | -179.5 | 176.1 | 0 | 0 | 113.2 | D234 L242 R243 T322 | D234-E238 WeakPolarHBondContact O-CB 3.38Å; D234-E238 PolarHBondContact O-N 2.99Å; E238-L242 CarbonylContact O-C 3.57Å; E238-L242 WeakPolarHBondContact O-CA 3.38Å; E238-L242 WeakPolarHBondContact O-CB 3.2Å; E238-L242 PolarHBondContact O-N 3.17Å; E238-L242 VanDerWaalsContact O-N 3.13Å; E238-R243 HydrophobicContact CG-CG 4.28Å; E238-R243 WeakPolarHBondContact O-CG 3.28Å; E238-R243 PolarHBondContact O-N 3.48Å; E238-R243 IonicContact OE1-CZ 3.67Å; E238-R243 VanDerWaalsContact OE1-CZ 3.24Å; E238-R243 IonicContact OE1-NE 3.62Å; E238-R243 PolarHBondContact OE1-NE 3.19Å; E238-R243 IonicContact OE1-NH2 3.82Å; E238-R243 PolarHBondContact OE1-NH2 3.02Å; E238-T322 HydrophobicContact CG-CG2 4.3Å |
| 239 | Y | 88.9 | Confident | 92.8 | Very high | 58 Ų | 58 | 34.4 Ų | 34.4 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -81.6 | -29.5 | -167.3 | -69 | -73.7 | 0 | 0 | 0 | 113.8 | W235 R243 F658 V662 Y666 | W235-Y239 HydrophobicContact CB-CD2 3.91Å; W235-Y239 HydrophobicContact CB-CE2 4.18Å; W235-Y239 AromaticContact CD1-CE2 3.77Å; W235-Y239 HydrophobicContact CG-CD2 4.23Å; W235-Y239 AromaticContact CG-CE2 3.99Å; W235-Y239 HydrophobicContact CG-CE2 3.99Å; W235-Y239 WeakPolarHBondContact O-CB 3.28Å; W235-Y239 VanDerWaalsContact O-CD2 3.26Å; W235-Y239 WeakPolarHBondContact O-CD2 3.43Å; W235-Y239 PolarHBondContact O-N 2.91Å; Y239-R243 VanDerWaalsContact CD1-CD 3.47Å; Y239-R243 VanDerWaalsContact CE1-CZ 3.45Å; Y239-F658 HydrophobicContact CD2-CZ 4.21Å; Y239-F658 HydrophobicContact CG-CZ 4.4Å; Y239-V662 HydrophobicContact CD2-CG1 4.34Å; Y239-V662 HydrophobicContact CD2-CG2 4.02Å; Y239-V662 HydrophobicContact CE2-CG1 3.75Å; Y239-V662 HydrophobicContact CE2-CG2 4.25Å; Y239-Y666 PolarHBondContact OH-OH 3.17Å |
| 240 | I | 88.9 | Confident | 93.1 | Very high | 69 Ų | 69 | 32.1 Ų | 32.1 | 35% | 0.354 | 16% | 0.164 | S | C | . | . | I | π-helix | trans | -86.8 | -40.8 | -178.3 | -57 | -58.5 | 0 | 0 | 0 | 111.4 | W236 F658 | W236-I240 HydrophobicContact CD2-CB 4.33Å; W236-I240 HydrophobicContact CD2-CG1 3.64Å; W236-I240 HydrophobicContact CE3-CB 4.45Å; W236-I240 HydrophobicContact CE3-CD1 4.03Å; W236-I240 HydrophobicContact CE3-CG1 3.33Å; W236-I240 HydrophobicContact CG-CG1 4.4Å; W236-I240 HydrophobicContact CH2-CB 4.44Å; W236-I240 HydrophobicContact CH2-CD1 4.01Å; W236-I240 HydrophobicContact CH2-CG1 3.68Å; W236-I240 HydrophobicContact CH2-CG2 4.1Å; W236-I240 HydrophobicContact CZ2-CB 4.33Å; W236-I240 HydrophobicContact CZ2-CG1 3.98Å; W236-I240 HydrophobicContact CZ2-CG2 3.9Å; W236-I240 HydrophobicContact CZ3-CD1 3.63Å; W236-I240 HydrophobicContact CZ3-CG1 3.37Å; W236-I240 VanDerWaalsContact O-CB 3.29Å; W236-I240 WeakPolarHBondContact O-CB 3.44Å; W236-I240 PolarHBondContact O-N 3.42Å; I240-F658 HydrophobicContact CD1-CD2 4.17Å; I240-F658 HydrophobicContact CD1-CE2 3.77Å; I240-F658 HydrophobicContact CD1-CZ 4.34Å; I240-F658 HydrophobicContact CG1-CE2 4.3Å; I240-F658 HydrophobicContact CG1-CZ 4.38Å |
| 241 | Y | 93.4 | Very high | 93.2 | Very high | 21 Ų | 21 | 35.5 Ų | 35.5 | 8% | 0.082 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -103.3 | -58.5 | -176.7 | -52.5 | -79.4 | 0 | 0 | 0 | 111.7 | W236 E237 R243 G244 R316 H473 S474 | W236-Y241 AromaticContact CD1-CE2 3.72Å; W236-Y241 AromaticContact NE1-CE2 3.48Å; W236-Y241 AromaticContact NE1-CZ 3.84Å; W236-Y241 PolarHBondContact NE1-OH 3.12Å; E237-Y241 PolarHBondContact O-N 2.98Å; Y241-R243 PolarHBondContact O-N 3.32Å; Y241-G244 PolarHBondContact O-N 2.62Å; Y241-R316 PolarHBondContact O-NH1 3.49Å; Y241-R316 PolarHBondContact O-NH2 3.47Å; Y241-H473 HydrophobicContact CD1-CB 4.4Å; Y241-H473 HydrophobicContact CE1-CB 4.07Å; Y241-H473 AromaticContact CE1-CG 3.84Å; Y241-S474 VanDerWaalsContact CB-CB 3.45Å |
| 242 | L | 94.1 | Very high | 93.3 | Very high | 12 Ų | 12 | 36.3 Ų | 36.3 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | I | π-helix | trans | -74.3 | -22.5 | -166.7 | -59.8 | 179.1 | 0 | 0 | 0 | 114.2 | E237 E238 R245 R316 T322 D323 L325 | E237-L242 HydrophobicContact CG-CD1 4.02Å; E237-L242 HydrophobicContact CG-CG 4.44Å; E237-L242 WeakPolarHBondContact O-CG 3.23Å; E237-L242 PolarHBondContact O-N 2.97Å; E237-L242 VanDerWaalsContact O-N 3.16Å; E238-L242 CarbonylContact O-C 3.57Å; E238-L242 WeakPolarHBondContact O-CA 3.38Å; E238-L242 WeakPolarHBondContact O-CB 3.2Å; E238-L242 PolarHBondContact O-N 3.17Å; E238-L242 VanDerWaalsContact O-N 3.13Å; L242-R245 PolarHBondContact O-NH2 3.03Å; L242-R316 HydrophobicContact CD2-CG 4.3Å; L242-T322 HydrophobicContact CB-CG2 4.16Å; L242-D323 HydrophobicContact CB-CB 4.33Å; L242-D323 HydrophobicContact CD2-CB 4.05Å; L242-D323 PolarHBondContact O-N 3.26Å; L242-L325 HydrophobicContact CD2-CG 4.34Å |
| 243 | R | 93.1 | Very high | 93.4 | Very high | 101 Ų | 101 | 35.9 Ų | 35.9 | 38% | 0.381 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | -9.2 | 174.8 | -71.7 | -175.5 | 180 | -144 | 6.2 | 114.1 | E238 Y239 Y241 R245 T322 | E238-R243 HydrophobicContact CG-CG 4.28Å; E238-R243 WeakPolarHBondContact O-CG 3.28Å; E238-R243 PolarHBondContact O-N 3.48Å; E238-R243 IonicContact OE1-CZ 3.67Å; E238-R243 VanDerWaalsContact OE1-CZ 3.24Å; E238-R243 IonicContact OE1-NE 3.62Å; E238-R243 PolarHBondContact OE1-NE 3.19Å; E238-R243 IonicContact OE1-NH2 3.82Å; E238-R243 PolarHBondContact OE1-NH2 3.02Å; Y239-R243 VanDerWaalsContact CD1-CD 3.47Å; Y239-R243 VanDerWaalsContact CE1-CZ 3.45Å; Y241-R243 PolarHBondContact O-N 3.32Å; R243-R245 PolarHBondContact O-N 3.36Å; R243-R245 PolarHBondContact O-NE 2.86Å; R243-T322 HydrophobicContact CG-CG2 3.84Å; R243-T322 WeakPolarHBondContact CG-OG1 3.12Å |
| 244 | G | 90.9 | Very high | 93.8 | Very high | 32 Ų | 32 | 35.7 Ų | 35.7 | 33% | 0.33 | 18% | 0.183 | S | C | . | . | trans | -60.2 | 128 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y241 | Y241-G244 PolarHBondContact O-N 2.62Š| ||
| 245 | R | 95.1 | Very high | 94.1 | Very high | 62 Ų | 62 | 32.2 Ų | 32.2 | 23% | 0.234 | 16% | 0.164 | C | C | . | . | trans | -102.7 | -15.4 | -174.3 | -58.3 | -61.9 | 76 | -162.6 | -11.7 | 114.4 | L242 R243 G319 E320 E321 D323 R388 V389 | L242-R245 PolarHBondContact O-NH2 3.03Å; R243-R245 PolarHBondContact O-N 3.36Å; R243-R245 PolarHBondContact O-NE 2.86Å; R245-G319 PolarHBondContact NH1-O 3.07Å; R245-E320 WeakPolarHBondContact CD-O 3.44Å; R245-E320 PolarHBondContact NH1-O 3.12Å; R245-E321 PolarHBondContact NH1-O 3Å; R245-D323 IonicContact CZ-OD1 2.98Å; R245-D323 IonicContact NH1-OD1 2.63Å; R245-D323 PolarHBondContact NH1-OD1 2.94Å; R245-D323 IonicContact NH2-OD1 3.55Å; R245-D323 PolarHBondContact NH2-OD1 3.28Å; R245-D323 IonicContact NH2-OD2 2.78Å; R245-R388 WeakPolarHBondContact O-CG 3.31Å; R245-R388 PolarHBondContact O-N 2.76Å; R245-V389 HydrophobicContact CB-CG2 4.49Å; R245-V389 HydrophobicContact CG-CG2 4.49Å | ||
| 246 | G | 94.9 | Very high | 94.3 | Very high | 35 Ų | 35 | 31.5 Ų | 31.5 | 36% | 0.361 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -75.1 | 175 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R388 | G246-R388 WeakPolarHBondContact O-CG 3.48Š|
| 247 | P | 97.1 | Very high | 94.5 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 10% | 0.104 | 16% | 0.159 | C | C | . | . | trans | -60.8 | 134.3 | -178.8 | -25.9 | 39 | 0 | 0 | 0 | 111.9 | N251 A385 G386 D387 T536 L540 | P247-N251 WeakPolarHBondContact O-CB 3.1Å; P247-N251 PolarHBondContact O-ND2 3.43Å; P247-A385 WeakPolarHBondContact CB-O 3.41Å; P247-G386 WeakPolarHBondContact CA-O 3.3Å; P247-D387 VanDerWaalsContact CD-OD1 3.22Å; P247-D387 WeakPolarHBondContact CD-OD1 3.49Å; P247-T536 HydrophobicContact CG-CG2 4.19Å; P247-L540 HydrophobicContact CB-CD2 3.57Å; P247-L540 HydrophobicContact CG-CD2 4.01Å | ||
| 248 | I | 96.9 | Very high | 94.6 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 4% | 0.036 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -90.8 | -19.4 | -179.3 | 58.4 | 168.5 | 0 | 0 | 0 | 113.5 | V250 S252 N253 F453 E472 | I248-V250 VanDerWaalsContact C-N 3.33Å; I248-V250 PolarHBondContact O-N 3.36Å; I248-S252 PolarHBondContact O-N 3.03Å; I248-N253 PolarHBondContact O-N 3.35Å; I248-N253 PolarHBondContact O-OD1 3.31Å; I248-F453 HydrophobicContact CD1-CB 4.48Å; I248-F453 HydrophobicContact CG1-CB 4.49Å; I248-E472 HydrophobicContact CD1-CG 4.32Å |
| 249 | M | 95.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -51.1 | -46.2 | -174.6 | 170.7 | -179.7 | 78.8 | 0 | 0 | 113.7 | A385 H445 C448 F453 A537 A541 | M249-A385 HydrophobicContact SD-CB 4Å; M249-H445 HydrophobicContact CE-CB 3.64Å; M249-H445 HydrophobicContact CG-CB 3.74Å; M249-H445 HydrophobicContact SD-CB 3.41Å; M249-H445 WeakPolarHBondContact SD-CB 3.17Å; M249-C448 HydrophobicContact SD-CB 4.21Å; M249-F453 HydrophobicContact CB-CD1 3.99Å; M249-F453 HydrophobicContact CB-CD2 4.35Å; M249-F453 HydrophobicContact CB-CE1 4.06Å; M249-F453 HydrophobicContact CB-CE2 4.39Å; M249-F453 HydrophobicContact CB-CG 4.14Å; M249-F453 HydrophobicContact CB-CZ 4.23Å; M249-F453 HydrophobicContact CG-CD1 3.9Å; M249-F453 HydrophobicContact CG-CD2 4.47Å; M249-F453 HydrophobicContact CG-CE1 3.44Å; M249-F453 VanDerWaalsContact CG-CE1 3.44Å; M249-F453 HydrophobicContact CG-CE2 4.05Å; M249-F453 HydrophobicContact CG-CG 4.39Å; M249-F453 HydrophobicContact CG-CZ 3.5Å; M249-F453 HydrophobicContact SD-CE1 4.06Å; M249-F453 HydrophobicContact SD-CE2 3.76Å; M249-F453 HydrophobicContact SD-CZ 3.45Å; M249-F453 WeakPolarHBondContact SD-CZ 3.24Å; M249-A537 HydrophobicContact CE-CB 4.16Å; M249-A537 WeakPolarHBondContact CE-O 3.4Å; M249-A541 HydrophobicContact CE-CB 4.02Å |
| 250 | V | 96.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -103.8 | -42.1 | 177.9 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | I248 S252 H445 L540 V544 | I248-V250 VanDerWaalsContact C-N 3.33Å; I248-V250 PolarHBondContact O-N 3.36Å; V250-S252 VanDerWaalsContact C-N 3.26Å; V250-S252 PolarHBondContact O-N 2.93Å; V250-H445 HydrophobicContact CG2-CB 4.43Å; V250-L540 HydrophobicContact CB-CD2 3.98Å; V250-L540 HydrophobicContact CB-CG 4.16Å; V250-L540 HydrophobicContact CG2-CD2 4.25Å; V250-L540 HydrophobicContact CG2-CG 4.17Å; V250-V544 HydrophobicContact CB-CG2 4.4Å; V250-V544 HydrophobicContact CG1-CG2 3.52Å; V250-V544 HydrophobicContact CG2-CG2 4.05Å |
| 251 | N | 95.8 | Very high | 94.8 | Very high | 76 Ų | 76 | 26.2 Ų | 26.2 | 41% | 0.406 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -79.5 | -6.5 | -168.7 | -53.6 | -42.3 | 0 | 0 | 0 | 113.6 | P247 | P247-N251 WeakPolarHBondContact O-CB 3.1Å; P247-N251 PolarHBondContact O-ND2 3.43Å |
| 252 | S | 96.2 | Very high | 94.6 | Very high | 21 Ų | 21 | 26.4 Ų | 26.4 | 15% | 0.147 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -142.5 | -46.5 | -179.5 | -175.6 | 0 | 0 | 0 | 0 | 113.2 | I248 V250 H473 | I248-S252 PolarHBondContact O-N 3.03Å; V250-S252 VanDerWaalsContact C-N 3.26Å; V250-S252 PolarHBondContact O-N 2.93Å; S252-H473 VanDerWaalsContact O-CB 3.26Å; S252-H473 WeakPolarHBondContact O-CB 3.43Å |
| 253 | N | 98.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -67.5 | 149.9 | -178.4 | -71.6 | 23.1 | 0 | 0 | 0 | 110.5 | I248 F453 N470 A471 E472 | I248-N253 PolarHBondContact O-N 3.35Å; I248-N253 PolarHBondContact O-OD1 3.31Å; N253-F453 PolarHBondContact ND2-O 3.46Å; N253-N470 PolarHBondContact ND2-OD1 3.04Å; N253-A471 VanDerWaalsContact CA-O 3.23Å; N253-A471 WeakPolarHBondContact CA-O 3.39Å; N253-A471 WeakPolarHBondContact CB-O 3.46Å; N253-E472 WeakPolarHBondContact OD1-CA 3.43Å | ||
| 254 | Y | 97.8 | Very high | 94.2 | Very high | 15 Ų | 15 | 24.9 Ų | 24.9 | 6% | 0.059 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 164.5 | 175.6 | 59.5 | -93.5 | 0 | 0 | 0 | 109.9 | N470 A471 H473 A478 V481 G708 | Y254-N470 CarbonylContact O-C 3.5Å; Y254-A471 HydrophobicContact CD2-CB 4.05Å; Y254-A471 HydrophobicContact CE1-CB 4.19Å; Y254-A471 HydrophobicContact CE2-CB 3.58Å; Y254-A471 PolarHBondContact N-O 3.38Å; Y254-A471 VanDerWaalsContact N-O 3.12Å; Y254-A471 PolarHBondContact O-N 3.5Å; Y254-H473 HydrophobicContact CD1-CB 4.03Å; Y254-H473 AromaticContact CD1-CD2 3.86Å; Y254-H473 AromaticContact CD1-CG 3.81Å; Y254-H473 HydrophobicContact CE1-CB 3.94Å; Y254-H473 AromaticContact CE1-CG 3.68Å; Y254-H473 AromaticContact CE1-ND1 3.72Å; Y254-A478 HydrophobicContact CD2-CB 4.43Å; Y254-A478 HydrophobicContact CE2-CB 4.08Å; Y254-V481 HydrophobicContact CE2-CB 4.21Å; Y254-V481 HydrophobicContact CE2-CG1 4.47Å; Y254-V481 HydrophobicContact CE2-CG2 4.3Å; Y254-V481 WeakPolarHBondContact OH-CG2 3.39Å; Y254-G708 WeakPolarHBondContact CA-O 3.44Å; Y254-G708 WeakPolarHBondContact CB-O 3.37Å |
| 255 | F | 97.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 1% | 0.013 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 164.2 | -177.6 | 69.7 | -89 | 0 | 0 | 0 | 112.7 | M257 A440 L443 I444 L469 F546 G707 G708 H732 | F255-M257 HydrophobicContact CD2-CG 4.31Å; F255-M257 HydrophobicContact CE2-CE 3.84Å; F255-M257 HydrophobicContact CE2-CG 4.1Å; F255-A440 HydrophobicContact CE1-CB 4.28Å; F255-A440 HydrophobicContact CE2-CB 3.95Å; F255-A440 HydrophobicContact CZ-CB 3.57Å; F255-L443 HydrophobicContact CB-CB 3.76Å; F255-L443 HydrophobicContact CD2-CB 4Å; F255-L443 HydrophobicContact CD2-CD1 3.9Å; F255-L443 HydrophobicContact CG-CB 4.03Å; F255-I444 HydrophobicContact CD1-CB 3.7Å; F255-I444 HydrophobicContact CD1-CD1 4.16Å; F255-I444 HydrophobicContact CD1-CG1 4.13Å; F255-I444 HydrophobicContact CE1-CB 4.32Å; F255-I444 HydrophobicContact CE1-CD1 4.46Å; F255-I444 HydrophobicContact CG-CB 4.4Å; F255-L469 CarbonylContact C-O 3.54Å; F255-L469 WeakPolarHBondContact CA-O 3.46Å; F255-L469 VanDerWaalsContact CB-O 3.29Å; F255-L469 WeakPolarHBondContact CB-O 3.3Å; F255-F546 AromaticContact CE1-CE1 3.8Å; F255-F546 HydrophobicContact CE1-CE1 3.8Å; F255-F546 HydrophobicContact CE1-CZ 4.1Å; F255-F546 HydrophobicContact CZ-CE1 4.29Å; F255-G707 CarbonylContact O-C 3.59Å; F255-G707 WeakPolarHBondContact O-CA 3.48Å; F255-G708 WeakPolarHBondContact CD1-O 3.45Å; F255-G708 WeakPolarHBondContact CE1-O 3.5Å; F255-G708 PolarHBondContact N-O 3.12Å; F255-G708 PolarHBondContact O-N 3.06Å; F255-H732 AromaticContact CE2-ND1 3.96Å; F255-H732 AromaticContact CZ-ND1 3.82Å |
| 256 | A | 96.6 | Very high | 94.5 | Very high | 13 Ų | 13 | 25.7 Ų | 25.7 | 11% | 0.107 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 140.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | L443 G468 L469 G706 | A256-L443 WeakPolarHBondContact O-CD1 3.29Å; A256-G468 CarbonylContact O-C 3.58Å; A256-G468 WeakPolarHBondContact O-CA 3.47Å; A256-L469 HydrophobicContact CB-CB 4.26Å; A256-L469 PolarHBondContact N-O 2.93Å; A256-L469 PolarHBondContact O-N 2.63Å; A256-G706 WeakPolarHBondContact CA-O 3.4Å |
| 257 | M | 95.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 156.2 | -178.4 | -70.1 | -174.3 | 174.2 | 0 | 0 | 112.4 | F255 L436 Y439 A440 L443 W485 G706 | F255-M257 HydrophobicContact CD2-CG 4.31Å; F255-M257 HydrophobicContact CE2-CE 3.84Å; F255-M257 HydrophobicContact CE2-CG 4.1Å; M257-L436 WeakPolarHBondContact CE-O 3.36Å; M257-L436 HydrophobicContact SD-CD2 4.42Å; M257-Y439 HydrophobicContact CB-CE1 3.78Å; M257-Y439 HydrophobicContact CE-CD1 3.76Å; M257-Y439 HydrophobicContact CE-CE1 4.37Å; M257-Y439 HydrophobicContact CE-CG 4.23Å; M257-Y439 HydrophobicContact CG-CD1 3.96Å; M257-Y439 HydrophobicContact CG-CE1 3.59Å; M257-Y439 HydrophobicContact SD-CD1 3.68Å; M257-Y439 HydrophobicContact SD-CE1 3.76Å; M257-A440 HydrophobicContact CE-CB 3.62Å; M257-L443 HydrophobicContact CB-CD1 4.4Å; M257-L443 HydrophobicContact CG-CD1 3.65Å; M257-W485 PolarHBondContact O-NE1 3Å; M257-G706 PolarHBondContact N-O 3.43Å |
| 258 | D | 94.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | trans | -65.2 | -175.6 | 170 | -160.5 | -2.2 | 0 | 0 | 0 | 111.4 | R271 Y439 M467 S705 | D258-R271 IonicContact OD1-NH2 3.86Å; D258-R271 PolarHBondContact OD1-NH2 3.41Å; D258-R271 IonicContact OD2-NH2 3.37Å; D258-R271 PolarHBondContact OD2-NH2 3.46Å; D258-R271 VanDerWaalsContact OD2-NH2 3.17Å; D258-Y439 WeakPolarHBondContact CB-OH 3.38Å; D258-Y439 PolarHBondContact N-OH 3.31Å; D258-M467 HydrophobicContact CB-CG 4.1Å; D258-M467 WeakPolarHBondContact CB-O 3.5Å; D258-M467 PolarHBondContact N-O 3.15Å; D258-M467 WeakPolarHBondContact OD1-CE 3.5Å; D258-M467 WeakPolarHBondContact OD2-CG 3.16Å; D258-S705 PolarHBondContact O-N 2.92Å | ||
| 259 | F | 92.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 1% | 0.013 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -57.4 | 139.6 | 163.9 | -60.1 | -53.4 | 0 | 0 | 0 | 111.8 | L262 K466 M489 I694 M702 L703 | F259-L262 HydrophobicContact CB-CB 3.74Å; F259-L262 HydrophobicContact CD2-CB 4.13Å; F259-L262 HydrophobicContact CD2-CD2 3.72Å; F259-L262 HydrophobicContact CD2-CG 4.25Å; F259-L262 HydrophobicContact CE2-CD2 4.01Å; F259-L262 HydrophobicContact CG-CB 4.19Å; F259-L262 HydrophobicContact CG-CD2 4.36Å; F259-K466 PolarHBondContact O-NZ 3.2Å; F259-M489 HydrophobicContact CD1-CE 4.46Å; F259-M489 HydrophobicContact CD1-SD 4.4Å; F259-M489 HydrophobicContact CD2-SD 4.47Å; F259-M489 HydrophobicContact CE1-CB 4.26Å; F259-M489 HydrophobicContact CE1-CE 4.02Å; F259-M489 HydrophobicContact CE1-SD 4.22Å; F259-M489 HydrophobicContact CE2-CB 3.69Å; F259-M489 HydrophobicContact CE2-CG 4.44Å; F259-M489 HydrophobicContact CE2-SD 4.34Å; F259-M489 HydrophobicContact CZ-CB 3.47Å; F259-M489 VanDerWaalsContact CZ-CB 3.47Å; F259-M489 HydrophobicContact CZ-CE 4.34Å; F259-M489 HydrophobicContact CZ-CG 4.39Å; F259-M489 HydrophobicContact CZ-SD 4.21Å; F259-I694 HydrophobicContact CE1-CD1 3.92Å; F259-I694 HydrophobicContact CZ-CD1 4.23Å; F259-M702 HydrophobicContact CD1-CB 4.15Å; F259-M702 WeakPolarHBondContact CD1-O 3.44Å; F259-M702 HydrophobicContact CE1-CB 3.63Å; F259-M702 HydrophobicContact CE1-CE 4.25Å; F259-M702 HydrophobicContact CE1-CG 4.29Å; F259-M702 WeakPolarHBondContact CE1-O 3.39Å; F259-M702 HydrophobicContact CE2-CE 4.28Å; F259-M702 HydrophobicContact CE2-CG 4.46Å; F259-M702 HydrophobicContact CZ-CB 3.88Å; F259-M702 HydrophobicContact CZ-CE 3.52Å; F259-M702 HydrophobicContact CZ-CG 4.05Å; F259-L703 CarbonylContact C-O 3.46Å; F259-L703 VanDerWaalsContact CA-O 3.28Å; F259-L703 WeakPolarHBondContact CA-O 3.13Å |
| 260 | L | 90 | Very high | 95 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -63.2 | -58.6 | -177.8 | -174.9 | 61.2 | 0 | 0 | 0 | 110.2 | Y427 L436 K466 L550 L703 S705 | L260-Y427 HydrophobicContact CD1-CD2 3.72Å; L260-Y427 HydrophobicContact CD1-CE2 4.46Å; L260-Y427 HydrophobicContact CD1-CG 3.83Å; L260-Y427 HydrophobicContact CG-CG 4.45Å; L260-L436 HydrophobicContact CD1-CD1 4.4Å; L260-L436 HydrophobicContact CD1-CD2 3.96Å; L260-K466 PolarHBondContact O-NZ 2.91Å; L260-L550 HydrophobicContact CD2-CD2 3.95Å; L260-L703 HydrophobicContact CB-CD2 4.49Å; L260-L703 HydrophobicContact CD2-CD2 3.93Å; L260-L703 PolarHBondContact N-O 2.91Å; L260-S705 WeakPolarHBondContact CD1-OG 3.28Å |
| 261 | Y | 88.4 | Confident | 95.1 | Very high | 125 Ų | 125 | 26.5 Ų | 26.5 | 49% | 0.49 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -100.2 | -21.4 | -173.6 | -53.7 | -55.5 | 0 | 0 | 0 | 114.5 | Y427 L550 L703 | Y261-Y427 HydrophobicContact CD1-CD1 4.01Å; Y261-Y427 AromaticContact CD1-CE1 3.93Å; Y261-Y427 HydrophobicContact CD1-CE1 3.93Å; Y261-Y427 HydrophobicContact CE1-CD1 4.06Å; Y261-Y427 AromaticContact CE1-CE1 3.64Å; Y261-Y427 HydrophobicContact CE1-CE1 3.64Å; Y261-Y427 AromaticContact CE1-CZ 3.94Å; Y261-L550 VanDerWaalsContact OH-CD2 3.3Å; Y261-L550 WeakPolarHBondContact OH-CD2 3.39Å; Y261-L703 HydrophobicContact CE2-CD2 4.02Å |
| 262 | L | 89.1 | Confident | 95.2 | Very high | 24 Ų | 24 | 22.9 Ų | 22.9 | 13% | 0.126 | 13% | 0.128 | C | C | . | . | trans | -86.5 | 132.2 | -174.6 | -174.8 | 62.4 | 0 | 0 | 0 | 111.2 | F259 P264 K466 Y493 E701 M702 | F259-L262 HydrophobicContact CB-CB 3.74Å; F259-L262 HydrophobicContact CD2-CB 4.13Å; F259-L262 HydrophobicContact CD2-CD2 3.72Å; F259-L262 HydrophobicContact CD2-CG 4.25Å; F259-L262 HydrophobicContact CE2-CD2 4.01Å; F259-L262 HydrophobicContact CG-CB 4.19Å; F259-L262 HydrophobicContact CG-CD2 4.36Å; L262-P264 HydrophobicContact CD2-CG 4.36Å; L262-P264 HydrophobicContact CG-CG 4.03Å; L262-K466 PolarHBondContact O-NZ 3.26Å; L262-Y493 HydrophobicContact CD1-CE2 3.81Å; L262-Y493 HydrophobicContact CD2-CD1 4.09Å; L262-Y493 HydrophobicContact CD2-CD2 3.77Å; L262-Y493 HydrophobicContact CD2-CE1 4.03Å; L262-Y493 HydrophobicContact CD2-CE2 3.71Å; L262-Y493 HydrophobicContact CD2-CG 3.94Å; L262-Y493 HydrophobicContact CG-CD2 4.49Å; L262-Y493 HydrophobicContact CG-CE2 4.25Å; L262-E701 HydrophobicContact CD1-CG 4.43Å; L262-E701 HydrophobicContact CD2-CG 4.23Å; L262-M702 HydrophobicContact CD2-CG 4.16Å | ||
| 263 | A | 88.2 | Confident | 95.3 | Very high | 53 Ų | 53 | 21.9 Ų | 21.9 | 44% | 0.438 | 12% | 0.121 | S | C | . | . | trans | -136.6 | 90.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | T265 | A263-T265 VanDerWaalsContact C-N 3.25Å; A263-T265 PolarHBondContact O-N 3.35Å | ||
| 264 | P | 92.1 | Very high | 95.3 | Very high | 29 Ų | 29 | 22 Ų | 22 | 19% | 0.188 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -62.3 | -25 | -173.8 | -30.8 | 41.4 | 0 | 0 | 0 | 115.6 | L262 Y493 Y498 | L262-P264 HydrophobicContact CD2-CG 4.36Å; L262-P264 HydrophobicContact CG-CG 4.03Å; P264-Y493 HydrophobicContact CB-CD2 4.3Å; P264-Y493 HydrophobicContact CG-CD2 3.82Å; P264-Y493 HydrophobicContact CG-CE2 4.44Å; P264-Y498 HydrophobicContact CB-CD2 3.8Å; P264-Y498 HydrophobicContact CB-CE2 3.46Å; P264-Y498 VanDerWaalsContact CB-CE2 3.46Å |
| 265 | T | 96.3 | Very high | 95.4 | Very high | 9 Ų | 9 | 21.3 Ų | 21.3 | 6% | 0.055 | 12% | 0.119 | C | C | . | . | trans | -156.2 | 151.8 | 170.9 | -177 | 0 | 0 | 0 | 0 | 109 | A263 L267 A270 R271 Y498 G502 | A263-T265 VanDerWaalsContact C-N 3.25Å; A263-T265 PolarHBondContact O-N 3.35Å; T265-L267 PolarHBondContact OG1-N 3.13Å; T265-A270 HydrophobicContact CG2-CB 4.15Å; T265-R271 HydrophobicContact CG2-CB 3.91Å; T265-Y498 HydrophobicContact CG2-CD1 3.85Å; T265-Y498 HydrophobicContact CG2-CE1 3.36Å; T265-Y498 HydrophobicContact CG2-CE2 4.3Å; T265-Y498 HydrophobicContact CG2-CG 4.48Å; T265-G502 WeakPolarHBondContact CB-O 3.42Å; T265-G502 PolarHBondContact OG1-O 3.15Å | ||
| 266 | T | 96.1 | Very high | 95.4 | Very high | 101 Ų | 101 | 21.1 Ų | 21.1 | 62% | 0.62 | 12% | 0.118 | S | C | * | . | S | Bend | trans | -92 | -9.4 | 171.3 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | Q268 N464 | T266-Q268 PolarHBondContact O-N 3.1Å; T266-N464 WeakPolarHBondContact CA-O 3.34Å; T266-N464 CarbonylContact O-C 3.5Å |
| 267 | L | 98.4 | Very high | 95.5 | Very high | 60 Ų | 60 | 21.6 Ų | 21.6 | 31% | 0.314 | 12% | 0.118 | S | C | . | . | trans | -77.9 | 108.6 | 179.8 | -60.4 | -178 | 0 | 0 | 0 | 110.2 | T265 A269 A270 R271 H503 | T265-L267 PolarHBondContact OG1-N 3.13Å; L267-A269 VanDerWaalsContact C-N 3.34Å; L267-A269 PolarHBondContact O-N 3.13Å; L267-A270 HydrophobicContact CB-CB 3.73Å; L267-A270 PolarHBondContact O-N 3.26Å; L267-A270 VanDerWaalsContact O-N 3.14Å; L267-R271 PolarHBondContact O-N 3.04Å; L267-H503 WeakPolarHBondContact CD1-ND1 3.18Å | ||
| 268 | Q | 98.4 | Very high | 95.6 | Very high | 17 Ų | 17 | 21.7 Ų | 21.7 | 8% | 0.079 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -53 | -47.2 | -179.3 | -177.8 | 176.8 | 34 | 0 | 0 | 113 | T266 R271 A272 L367 L420 D421 V461 F462 | T266-Q268 PolarHBondContact O-N 3.1Å; Q268-R271 PolarHBondContact O-N 2.92Å; Q268-A272 VanDerWaalsContact O-CB 3.32Å; Q268-A272 WeakPolarHBondContact O-CB 3.47Å; Q268-A272 PolarHBondContact O-N 3.34Å; Q268-L367 HydrophobicContact CB-CD1 4.37Å; Q268-L367 HydrophobicContact CG-CD1 4.39Å; Q268-L367 VanDerWaalsContact OE1-CD2 3.28Å; Q268-L420 HydrophobicContact CG-CD2 4.44Å; Q268-D421 PolarHBondContact NE2-O 3.29Å; Q268-V461 HydrophobicContact CG-CG1 3.99Å; Q268-V461 PolarHBondContact NE2-O 3.45Å; Q268-F462 WeakPolarHBondContact CG-O 3.26Å |
| 269 | A | 98.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.4 | -40.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L267 A272 G273 E360 M363 Q364 L367 | L267-A269 VanDerWaalsContact C-N 3.34Å; L267-A269 PolarHBondContact O-N 3.13Å; A269-A272 PolarHBondContact O-N 2.99Å; A269-G273 PolarHBondContact O-N 3.17Å; A269-E360 HydrophobicContact CB-CG 4.07Å; A269-M363 HydrophobicContact CB-CB 4.05Å; A269-Q364 HydrophobicContact CB-CB 4.06Å; A269-L367 HydrophobicContact CB-CD1 3.98Å |
| 270 | A | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.2 | -47.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T265 L267 A272 G273 N274 E360 Y498 G502 C504 | T265-A270 HydrophobicContact CG2-CB 4.15Å; L267-A270 HydrophobicContact CB-CB 3.73Å; L267-A270 PolarHBondContact O-N 3.26Å; L267-A270 VanDerWaalsContact O-N 3.14Å; A270-A272 VanDerWaalsContact C-N 3.32Å; A270-A272 PolarHBondContact O-N 3.27Å; A270-G273 PolarHBondContact O-N 3.11Å; A270-G273 VanDerWaalsContact O-N 3.13Å; A270-N274 PolarHBondContact O-N 3.13Å; A270-N274 VanDerWaalsContact O-N 3.11Å; A270-E360 VanDerWaalsContact CA-CD 3.48Å; A270-E360 WeakPolarHBondContact CA-OE1 3.22Å; A270-E360 HydrophobicContact CB-CG 4.44Å; A270-E360 VanDerWaalsContact CB-OE1 3.23Å; A270-E360 WeakPolarHBondContact CB-OE1 3.36Å; A270-Y498 HydrophobicContact CB-CD1 4.36Å; A270-Y498 HydrophobicContact CB-CE1 4.09Å; A270-G502 WeakPolarHBondContact CB-O 3.23Å; A270-C504 PolarHBondContact O-SG 3.03Å |
| 271 | R | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.5 | -49.3 | 176.1 | -165.8 | 84.9 | 168.4 | 138.8 | -4.3 | 111.1 | D258 T265 L267 Q268 G273 N274 I275 V461 G465 M467 E492 Y498 | D258-R271 IonicContact OD1-NH2 3.86Å; D258-R271 PolarHBondContact OD1-NH2 3.41Å; D258-R271 IonicContact OD2-NH2 3.37Å; D258-R271 PolarHBondContact OD2-NH2 3.46Å; D258-R271 VanDerWaalsContact OD2-NH2 3.17Å; T265-R271 HydrophobicContact CG2-CB 3.91Å; L267-R271 PolarHBondContact O-N 3.04Å; Q268-R271 PolarHBondContact O-N 2.92Å; R271-G273 VanDerWaalsContact C-N 3.32Å; R271-G273 PolarHBondContact O-N 3.45Å; R271-N274 PolarHBondContact O-N 3.44Å; R271-I275 WeakPolarHBondContact O-CB 3.42Å; R271-I275 WeakPolarHBondContact O-CG2 3.46Å; R271-I275 PolarHBondContact O-N 3.26Å; R271-V461 HydrophobicContact CB-CG1 4.18Å; R271-V461 HydrophobicContact CG-CG1 4.33Å; R271-G465 VanDerWaalsContact CD-O 3.3Å; R271-G465 WeakPolarHBondContact CD-O 3.34Å; R271-G465 WeakPolarHBondContact CG-O 3.41Å; R271-G465 PolarHBondContact NE-O 3.49Å; R271-M467 HydrophobicContact CG-SD 4.17Å; R271-M467 VanDerWaalsContact CZ-CE 3.43Å; R271-E492 IonicContact CZ-OE1 2.66Å; R271-E492 IonicContact CZ-OE2 3.28Å; R271-E492 IonicContact NE-OE1 3.83Å; R271-E492 IonicContact NH1-OE1 3.58Å; R271-E492 PolarHBondContact NH1-OE1 3.08Å; R271-E492 IonicContact NH1-OE2 2.99Å; R271-E492 PolarHBondContact NH1-OE2 3.29Å; R271-E492 IonicContact NH2-OE2 2.67Å; R271-E492 PolarHBondContact NH2-OE2 2.91Å; R271-Y498 WeakPolarHBondContact CA-OH 3.47Å |
| 272 | A | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q268 A269 A270 I276 M363 L420 V461 | Q268-A272 VanDerWaalsContact O-CB 3.32Å; Q268-A272 WeakPolarHBondContact O-CB 3.47Å; Q268-A272 PolarHBondContact O-N 3.34Å; A269-A272 PolarHBondContact O-N 2.99Å; A270-A272 VanDerWaalsContact C-N 3.32Å; A270-A272 PolarHBondContact O-N 3.27Å; A272-I276 HydrophobicContact CB-CD1 4.3Å; A272-I276 WeakPolarHBondContact O-CB 3.38Å; A272-I276 VanDerWaalsContact O-CD1 3.3Å; A272-I276 WeakPolarHBondContact O-CD1 3.4Å; A272-I276 WeakPolarHBondContact O-CG1 3.48Å; A272-I276 PolarHBondContact O-N 3.36Å; A272-M363 HydrophobicContact CB-CB 4.37Å; A272-M363 HydrophobicContact CB-CG 3.75Å; A272-M363 HydrophobicContact CB-SD 4.46Å; A272-L420 HydrophobicContact CB-CD2 3.92Å; A272-V461 HydrophobicContact CB-CG1 4.38Å; A272-V461 HydrophobicContact CB-CG2 4.14Å |
| 273 | G | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.7 | -52.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | A269 A270 R271 H277 | A269-G273 PolarHBondContact O-N 3.17Å; A270-G273 PolarHBondContact O-N 3.11Å; A270-G273 VanDerWaalsContact O-N 3.13Å; R271-G273 VanDerWaalsContact C-N 3.32Å; R271-G273 PolarHBondContact O-N 3.45Å; G273-H277 WeakPolarHBondContact O-CB 3.34Å; G273-H277 PolarHBondContact O-N 3.19Å; G273-H277 VanDerWaalsContact O-N 3.16Å |
| 274 | N | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.011 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.9 | -46.6 | 179.9 | -100 | -12.1 | 0 | 0 | 0 | 112.5 | A270 R271 I276 H277 A278 P356 E492 L496 G497 Y498 C504 | A270-N274 PolarHBondContact O-N 3.13Å; A270-N274 VanDerWaalsContact O-N 3.11Å; R271-N274 PolarHBondContact O-N 3.44Å; N274-I276 PolarHBondContact O-N 3.09Å; N274-H277 WeakPolarHBondContact O-CB 3.48Å; N274-H277 PolarHBondContact O-N 3.49Å; N274-A278 WeakPolarHBondContact O-CB 3.48Å; N274-A278 PolarHBondContact O-N 2.82Å; N274-P356 WeakPolarHBondContact OD1-CB 3.24Å; N274-P356 WeakPolarHBondContact OD1-CG 3.3Å; N274-E492 HydrophobicContact CB-CG 4.09Å; N274-L496 HydrophobicContact CB-CD1 4.35Å; N274-L496 WeakPolarHBondContact O-CD1 3.44Å; N274-G497 PolarHBondContact ND2-O 3.04Å; N274-Y498 HydrophobicContact CB-CE1 4.23Å; N274-Y498 WeakPolarHBondContact CB-OH 3.35Å; N274-Y498 WeakPolarHBondContact ND2-CE1 3.23Å; N274-Y498 PolarHBondContact ND2-OH 3.18Å; N274-C504 VanDerWaalsContact CG-SG 3.57Å |
| 275 | I | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.1 | -40.8 | -176.6 | -157.3 | 74.8 | 0 | 0 | 0 | 111.8 | R271 H277 A278 I279 L459 M467 V488 E492 | R271-I275 WeakPolarHBondContact O-CB 3.42Å; R271-I275 WeakPolarHBondContact O-CG2 3.46Å; R271-I275 PolarHBondContact O-N 3.26Å; I275-H277 VanDerWaalsContact C-N 3.31Å; I275-H277 PolarHBondContact O-N 2.81Å; I275-A278 PolarHBondContact O-N 3.07Å; I275-I279 VanDerWaalsContact O-CG1 3.28Å; I275-I279 WeakPolarHBondContact O-CG1 3.39Å; I275-I279 PolarHBondContact O-N 3.43Å; I275-L459 HydrophobicContact CG1-CD1 4.48Å; I275-L459 HydrophobicContact CG2-CD1 4.22Å; I275-L459 HydrophobicContact CG2-CD2 3.56Å; I275-L459 HydrophobicContact CG2-CG 4.48Å; I275-M467 HydrophobicContact CB-SD 4.03Å; I275-M467 HydrophobicContact CD1-CE 3.44Å; I275-M467 VanDerWaalsContact CD1-CE 3.44Å; I275-M467 HydrophobicContact CD1-SD 3.65Å; I275-M467 HydrophobicContact CG1-CE 4.09Å; I275-M467 HydrophobicContact CG1-SD 3.58Å; I275-M467 VanDerWaalsContact CG1-SD 3.58Å; I275-M467 HydrophobicContact CG2-SD 4.29Å; I275-V488 HydrophobicContact CD1-CG1 3.32Å; I275-V488 HydrophobicContact CG1-CG1 3.69Å; I275-E492 HydrophobicContact CD1-CB 4.28Å |
| 276 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 174.6 | -69.9 | 167.9 | 0 | 0 | 0 | 109.2 | A272 N274 A278 I279 L280 I334 L347 I359 M363 F416 V418 L459 | A272-I276 HydrophobicContact CB-CD1 4.3Å; A272-I276 WeakPolarHBondContact O-CB 3.38Å; A272-I276 VanDerWaalsContact O-CD1 3.3Å; A272-I276 WeakPolarHBondContact O-CD1 3.4Å; A272-I276 WeakPolarHBondContact O-CG1 3.48Å; A272-I276 PolarHBondContact O-N 3.36Å; N274-I276 PolarHBondContact O-N 3.09Å; I276-A278 PolarHBondContact O-N 3.32Å; I276-I279 PolarHBondContact O-N 3.01Å; I276-L280 HydrophobicContact CG2-CD1 3.91Å; I276-L280 WeakPolarHBondContact O-CD1 3.39Å; I276-L280 WeakPolarHBondContact O-CG 3.38Å; I276-L280 PolarHBondContact O-N 3.34Å; I276-I334 HydrophobicContact CD1-CD1 3.96Å; I276-I334 HydrophobicContact CG2-CD1 4.16Å; I276-L347 HydrophobicContact CG2-CD2 4.42Å; I276-I359 HydrophobicContact CB-CG2 4.06Å; I276-I359 HydrophobicContact CD1-CG2 4.04Å; I276-I359 HydrophobicContact CG2-CD1 4.1Å; I276-I359 HydrophobicContact CG2-CG2 3.92Å; I276-M363 HydrophobicContact CD1-CG 4.43Å; I276-M363 HydrophobicContact CD1-SD 3.86Å; I276-F416 HydrophobicContact CG1-CE2 4.35Å; I276-F416 HydrophobicContact CG1-CZ 4.41Å; I276-F416 HydrophobicContact CG2-CZ 4.06Å; I276-V418 HydrophobicContact CD1-CG1 4.36Å; I276-V418 HydrophobicContact CD1-CG2 4.2Å; I276-V418 HydrophobicContact CG1-CG2 4.39Å; I276-L459 HydrophobicContact CG1-CD2 3.81Å |
| 277 | H | 98.5 | Very high | 97.4 | Very high | 23 Ų | 23 | 19.3 Ų | 19.3 | 11% | 0.106 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.2 | -165.8 | 83.3 | 0 | 0 | 0 | 112.1 | G273 N274 I275 I279 L280 L281 L354 P356 I359 L496 | G273-H277 WeakPolarHBondContact O-CB 3.34Å; G273-H277 PolarHBondContact O-N 3.19Å; G273-H277 VanDerWaalsContact O-N 3.16Å; N274-H277 WeakPolarHBondContact O-CB 3.48Å; N274-H277 PolarHBondContact O-N 3.49Å; I275-H277 VanDerWaalsContact C-N 3.31Å; I275-H277 PolarHBondContact O-N 2.81Å; H277-I279 PolarHBondContact O-N 3.47Å; H277-L280 WeakPolarHBondContact O-CB 3.25Å; H277-L280 PolarHBondContact O-N 2.63Å; H277-L280 VanDerWaalsContact O-N 3.08Å; H277-L281 WeakPolarHBondContact O-CG 3.46Å; H277-L281 PolarHBondContact O-N 2.99Å; H277-L354 PolarHBondContact CE1-O 3.31Å; H277-L354 PolarHBondContact ND1-O 3.25Å; H277-P356 HydrophobicContact CB-CB 4.48Å; H277-P356 HydrophobicContact CB-CG 3.92Å; H277-I359 HydrophobicContact CB-CD1 3.95Å; H277-L496 HydrophobicContact CB-CD1 4.42Å |
| 278 | A | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 2% | 0.017 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61 | -42.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N274 I275 I276 L280 L281 Y282 V488 T491 L496 | N274-A278 WeakPolarHBondContact O-CB 3.48Å; N274-A278 PolarHBondContact O-N 2.82Å; I275-A278 PolarHBondContact O-N 3.07Å; I276-A278 PolarHBondContact O-N 3.32Å; A278-L280 VanDerWaalsContact C-N 3.27Å; A278-L280 PolarHBondContact O-N 2.74Å; A278-L281 WeakPolarHBondContact O-CB 3.23Å; A278-L281 PolarHBondContact O-N 3.24Å; A278-Y282 PolarHBondContact O-N 3.09Å; A278-V488 HydrophobicContact CB-CG1 4.05Å; A278-T491 HydrophobicContact CB-CG2 4.15Å; A278-L496 HydrophobicContact CB-CD1 4.1Å |
| 279 | I | 98.6 | Very high | 97 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.2 | -40.6 | 172.5 | -68.9 | 168.7 | 0 | 0 | 0 | 110.8 | I275 I276 H277 Y282 R283 F312 F416 F457 L459 V488 | I275-I279 VanDerWaalsContact O-CG1 3.28Å; I275-I279 WeakPolarHBondContact O-CG1 3.39Å; I275-I279 PolarHBondContact O-N 3.43Å; I276-I279 PolarHBondContact O-N 3.01Å; H277-I279 PolarHBondContact O-N 3.47Å; I279-Y282 WeakPolarHBondContact O-CB 3.43Å; I279-Y282 PolarHBondContact O-N 3.44Å; I279-R283 WeakPolarHBondContact O-CB 3.37Å; I279-R283 PolarHBondContact O-N 2.62Å; I279-F312 HydrophobicContact CG2-CE1 3.45Å; I279-F312 VanDerWaalsContact CG2-CE1 3.45Å; I279-F312 HydrophobicContact CG2-CZ 3.9Å; I279-F416 HydrophobicContact CB-CE1 4.31Å; I279-F416 HydrophobicContact CB-CZ 4.14Å; I279-F416 HydrophobicContact CD1-CE2 4.07Å; I279-F416 HydrophobicContact CD1-CZ 4.16Å; I279-F416 HydrophobicContact CG2-CD1 3.96Å; I279-F416 HydrophobicContact CG2-CE1 3.48Å; I279-F416 VanDerWaalsContact CG2-CE1 3.48Å; I279-F416 HydrophobicContact CG2-CE2 4.44Å; I279-F416 HydrophobicContact CG2-CZ 3.73Å; I279-F457 HydrophobicContact CG2-CZ 4.31Å; I279-L459 HydrophobicContact CD1-CD2 4.02Å; I279-V488 HydrophobicContact CB-CG2 4.42Å; I279-V488 HydrophobicContact CD1-CG1 4.48Å; I279-V488 HydrophobicContact CG1-CB 4.38Å; I279-V488 HydrophobicContact CG1-CG1 3.65Å; I279-V488 HydrophobicContact CG1-CG2 3.82Å |
| 280 | L | 97.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -72.1 | -32.8 | 179.5 | -64.8 | 166.7 | 0 | 0 | 0 | 112.9 | I276 H277 A278 R283 K284 L347 L353 I359 F416 | I276-L280 HydrophobicContact CG2-CD1 3.91Å; I276-L280 WeakPolarHBondContact O-CD1 3.39Å; I276-L280 WeakPolarHBondContact O-CG 3.38Å; I276-L280 PolarHBondContact O-N 3.34Å; H277-L280 WeakPolarHBondContact O-CB 3.25Å; H277-L280 PolarHBondContact O-N 2.63Å; H277-L280 VanDerWaalsContact O-N 3.08Å; A278-L280 VanDerWaalsContact C-N 3.27Å; A278-L280 PolarHBondContact O-N 2.74Å; L280-R283 PolarHBondContact O-N 3.08Å; L280-K284 WeakPolarHBondContact O-CB 2.89Å; L280-K284 PolarHBondContact O-N 2.77Å; L280-L347 HydrophobicContact CD1-CB 4.33Å; L280-L347 HydrophobicContact CD1-CD1 4.3Å; L280-L347 HydrophobicContact CD1-CD2 3.58Å; L280-L347 HydrophobicContact CD1-CG 4.26Å; L280-L347 HydrophobicContact CD2-CD1 3.53Å; L280-L347 HydrophobicContact CD2-CD2 4.33Å; L280-L347 HydrophobicContact CD2-CG 4.38Å; L280-L353 HydrophobicContact CB-CD1 3.89Å; L280-L353 HydrophobicContact CB-CD2 3.71Å; L280-L353 HydrophobicContact CB-CG 4.38Å; L280-L353 HydrophobicContact CD1-CD1 3.73Å; L280-L353 HydrophobicContact CD1-CD2 4.46Å; L280-L353 HydrophobicContact CD1-CG 4.36Å; L280-L353 HydrophobicContact CG-CD1 4.25Å; L280-I359 HydrophobicContact CD1-CD1 4.42Å; L280-F416 HydrophobicContact CD2-CE1 4.09Å |
| 281 | L | 97.6 | Very high | 96.6 | Very high | 45 Ų | 45 | 26.9 Ų | 26.9 | 24% | 0.236 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 169.5 | -67 | 178.8 | 0 | 0 | 0 | 111 | H277 A278 K284 K285 L353 T491 | H277-L281 WeakPolarHBondContact O-CG 3.46Å; H277-L281 PolarHBondContact O-N 2.99Å; A278-L281 WeakPolarHBondContact O-CB 3.23Å; A278-L281 PolarHBondContact O-N 3.24Å; L281-K284 WeakPolarHBondContact O-CB 3.18Å; L281-K284 PolarHBondContact O-N 3.2Å; L281-K285 WeakPolarHBondContact O-CG 3.32Å; L281-K285 PolarHBondContact O-N 2.77Å; L281-L353 HydrophobicContact CD2-CD2 4.48Å; L281-T491 HydrophobicContact CD1-CG2 4.22Å |
| 282 | Y | 97.5 | Very high | 96.3 | Very high | 10 Ų | 10 | 35.1 Ų | 35.1 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.4 | -49.5 | 173.5 | -172.6 | -80.4 | 0 | 0 | 0 | 111.4 | A278 I279 K284 K285 L286 I291 W308 M311 F312 H483 L484 N487 | A278-Y282 PolarHBondContact O-N 3.09Å; I279-Y282 WeakPolarHBondContact O-CB 3.43Å; I279-Y282 PolarHBondContact O-N 3.44Å; Y282-K284 VanDerWaalsContact C-N 3.26Å; Y282-K284 PolarHBondContact O-N 3.15Å; Y282-K285 WeakPolarHBondContact O-CB 3.5Å; Y282-K285 PolarHBondContact O-N 2.96Å; Y282-K285 VanDerWaalsContact O-N 3.09Å; Y282-L286 PolarHBondContact O-N 2.92Å; Y282-I291 HydrophobicContact CD1-CD1 4.19Å; Y282-I291 HydrophobicContact CE1-CD1 3.57Å; Y282-I291 HydrophobicContact CE2-CD1 4.03Å; Y282-I291 VanDerWaalsContact CZ-CD1 3.49Å; Y282-W308 AromaticContact CZ-NE1 3.91Å; Y282-W308 PolarHBondContact OH-NE1 2.94Å; Y282-M311 HydrophobicContact CD1-SD 4.25Å; Y282-M311 HydrophobicContact CE1-CE 4.22Å; Y282-M311 HydrophobicContact CE1-SD 3.59Å; Y282-M311 VanDerWaalsContact CE1-SD 3.59Å; Y282-F312 HydrophobicContact CD1-CE2 4.06Å; Y282-F312 HydrophobicContact CD1-CZ 4.19Å; Y282-F312 HydrophobicContact CE1-CE2 4.49Å; Y282-H483 AromaticContact CE2-CE1 3.67Å; Y282-H483 AromaticContact CE2-ND1 3.48Å; Y282-H483 WeakPolarHBondContact CE2-ND1 3.37Å; Y282-H483 AromaticContact CZ-CE1 3.92Å; Y282-H483 AromaticContact CZ-ND1 3.61Å; Y282-H483 PolarHBondContact OH-CE1 3.15Å; Y282-H483 VanDerWaalsContact OH-CE1 3.29Å; Y282-H483 PolarHBondContact OH-ND1 3.46Å; Y282-L484 HydrophobicContact CD1-CD1 3.33Å; Y282-L484 HydrophobicContact CD2-CD1 4.02Å; Y282-L484 HydrophobicContact CE1-CB 4.34Å; Y282-L484 HydrophobicContact CE1-CD1 3.71Å; Y282-L484 HydrophobicContact CE2-CD1 4.33Å; Y282-L484 HydrophobicContact CG-CD1 3.5Å; Y282-L484 VanDerWaalsContact CG-CD1 3.5Å; Y282-N487 HydrophobicContact CD2-CB 3.84Å; Y282-N487 HydrophobicContact CE2-CB 3.94Å |
| 283 | R | 96.2 | Very high | 96.1 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 2% | 0.019 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.5 | -39.6 | 176.1 | -176.1 | 178.1 | 175.9 | -139.4 | -5.2 | 112 | I279 L280 L286 D287 F312 N313 S331 | I279-R283 WeakPolarHBondContact O-CB 3.37Å; I279-R283 PolarHBondContact O-N 2.62Å; L280-R283 PolarHBondContact O-N 3.08Å; R283-L286 WeakPolarHBondContact O-CB 3.47Å; R283-L286 PolarHBondContact O-N 2.81Å; R283-D287 WeakPolarHBondContact O-CB 3.34Å; R283-D287 PolarHBondContact O-N 3.12Å; R283-F312 HydrophobicContact CB-CD1 4.4Å; R283-F312 HydrophobicContact CB-CD2 4.03Å; R283-F312 HydrophobicContact CB-CE1 4.12Å; R283-F312 HydrophobicContact CB-CE2 3.74Å; R283-F312 HydrophobicContact CB-CG 4.34Å; R283-F312 HydrophobicContact CB-CZ 3.8Å; R283-F312 HydrophobicContact CG-CB 4.36Å; R283-F312 HydrophobicContact CG-CD1 4.23Å; R283-F312 HydrophobicContact CG-CD2 3.74Å; R283-F312 HydrophobicContact CG-CE1 4.45Å; R283-F312 HydrophobicContact CG-CE2 4.02Å; R283-F312 HydrophobicContact CG-CG 3.85Å; R283-F312 HydrophobicContact CG-CZ 4.36Å; R283-N313 PolarHBondContact NE-OD1 3.29Å; R283-N313 VanDerWaalsContact NH2-CG 3.34Å; R283-N313 PolarHBondContact NH2-ND2 3.07Å; R283-N313 PolarHBondContact NH2-OD1 2.86Å; R283-S331 PolarHBondContact NH1-O 3.25Å; R283-S331 PolarHBondContact NH2-O 2.93Å |
| 284 | K | 93.8 | Very high | 95.8 | Very high | 100 Ų | 100 | 37.5 Ų | 37.5 | 44% | 0.435 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.6 | -44.3 | 175.5 | -178.3 | -178.1 | 176.3 | -175.1 | 0 | 111.9 | L280 L281 Y282 L286 D287 R288 | L280-K284 WeakPolarHBondContact O-CB 2.89Å; L280-K284 PolarHBondContact O-N 2.77Å; L281-K284 WeakPolarHBondContact O-CB 3.18Å; L281-K284 PolarHBondContact O-N 3.2Å; Y282-K284 VanDerWaalsContact C-N 3.26Å; Y282-K284 PolarHBondContact O-N 3.15Å; K284-L286 VanDerWaalsContact C-N 3.31Å; K284-D287 PolarHBondContact O-N 3.31Å; K284-R288 WeakPolarHBondContact O-CB 3.44Å; K284-R288 VanDerWaalsContact O-CG 3.31Å; K284-R288 WeakPolarHBondContact O-CG 3.39Å; K284-R288 PolarHBondContact O-N 2.64Å; K284-R288 VanDerWaalsContact O-N 3.15Å |
| 285 | K | 95.6 | Very high | 95.5 | Very high | 83 Ų | 83 | 39.9 Ų | 39.9 | 36% | 0.361 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.9 | -42.1 | 174.2 | -70.6 | 173.8 | -178.7 | 172.2 | 0 | 110.7 | L281 Y282 R288 Q289 E290 I291 | L281-K285 WeakPolarHBondContact O-CG 3.32Å; L281-K285 PolarHBondContact O-N 2.77Å; Y282-K285 WeakPolarHBondContact O-CB 3.5Å; Y282-K285 PolarHBondContact O-N 2.96Å; Y282-K285 VanDerWaalsContact O-N 3.09Å; K285-R288 CarbonylContact O-C 3.59Å; K285-R288 PolarHBondContact O-N 2.94Å; K285-Q289 PolarHBondContact O-N 2.89Å; K285-E290 HydrophobicContact CB-CB 4.35Å; K285-E290 PolarHBondContact O-N 3.36Å; K285-I291 HydrophobicContact CB-CG1 3.97Å |
| 286 | L | 95.1 | Very high | 95.1 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -50.9 | 176.2 | 173.8 | 56.4 | 0 | 0 | 0 | 112.4 | L164 Y282 R283 K284 R288 Q289 I291 W308 M311 F312 | L164-L286 HydrophobicContact CD2-CD1 3.44Å; L164-L286 VanDerWaalsContact CD2-CD1 3.44Å; Y282-L286 PolarHBondContact O-N 2.92Å; R283-L286 WeakPolarHBondContact O-CB 3.47Å; R283-L286 PolarHBondContact O-N 2.81Å; K284-L286 VanDerWaalsContact C-N 3.31Å; L286-R288 PolarHBondContact O-N 3.37Å; L286-R288 VanDerWaalsContact O-N 3.15Å; L286-Q289 WeakPolarHBondContact O-CA 3.46Å; L286-Q289 PolarHBondContact O-N 2.75Å; L286-I291 HydrophobicContact CB-CD1 3.71Å; L286-I291 HydrophobicContact CD1-CD1 4.26Å; L286-W308 HydrophobicContact CD1-CB 3.74Å; L286-W308 HydrophobicContact CD1-CG 4.12Å; L286-M311 HydrophobicContact CD2-CB 4.3Å; L286-M311 HydrophobicContact CD2-SD 4.32Å; L286-F312 HydrophobicContact CD2-CD2 3.79Å; L286-F312 HydrophobicContact CD2-CE2 3.89Å |
| 287 | D | 92 | Very high | 94.4 | Very high | 38 Ų | 38 | 44.6 Ų | 44.6 | 20% | 0.203 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.3 | -31.5 | 178.5 | -99.5 | -25.8 | 0 | 0 | 0 | 112.3 | K41 R45 R283 K284 | K41-D287 WeakPolarHBondContact CE-OD2 3.46Å; K41-D287 IonicContact NZ-OD1 3.84Å; K41-D287 IonicContact NZ-OD2 2.96Å; K41-D287 PolarHBondContact NZ-OD2 3.16Å; R45-D287 IonicContact CZ-OD1 3.07Å; R45-D287 IonicContact NE-OD1 3.24Å; R45-D287 IonicContact NH2-OD1 2.77Å; R45-D287 PolarHBondContact NH2-OD1 3.32Å; R45-D287 IonicContact NH2-OD2 3.32Å; R283-D287 WeakPolarHBondContact O-CB 3.34Å; R283-D287 PolarHBondContact O-N 3.12Å; K284-D287 PolarHBondContact O-N 3.31Å |
| 288 | R | 92.8 | Very high | 93.3 | Very high | 88 Ų | 88 | 46.5 Ų | 46.5 | 33% | 0.332 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -0.5 | 176.6 | -65.1 | -179 | 172.9 | -168.7 | -6.7 | 113.8 | I44 N48 M163 K284 K285 L286 E290 | I44-R288 HydrophobicContact CG2-CG 4.27Å; N48-R288 PolarHBondContact ND2-O 2.94Å; M163-R288 WeakPolarHBondContact CE-O 3.45Å; K284-R288 WeakPolarHBondContact O-CB 3.44Å; K284-R288 VanDerWaalsContact O-CG 3.31Å; K284-R288 WeakPolarHBondContact O-CG 3.39Å; K284-R288 PolarHBondContact O-N 2.64Å; K284-R288 VanDerWaalsContact O-N 3.15Å; K285-R288 CarbonylContact O-C 3.59Å; K285-R288 PolarHBondContact O-N 2.94Å; L286-R288 PolarHBondContact O-N 3.37Å; L286-R288 VanDerWaalsContact O-N 3.15Å; R288-E290 HydrophobicContact CB-CB 4.5Å; R288-E290 HydrophobicContact CB-CG 3.72Å; R288-E290 VanDerWaalsContact CD-OE1 3.25Å; R288-E290 WeakPolarHBondContact CD-OE1 3.4Å; R288-E290 IonicContact NH1-OE1 3.6Å; R288-E290 PolarHBondContact O-N 3.42Å |
| 289 | Q | 94.9 | Very high | 92.5 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 12% | 0.117 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 30.6 | -176 | -47.3 | 178.8 | 16.9 | 0 | 0 | 113.5 | T52 M163 L164 Y165 K285 L286 | T52-Q289 VanDerWaalsContact CG2-OE1 3.27Å; M163-Q289 HydrophobicContact CB-CB 4.31Å; M163-Q289 HydrophobicContact CE-CB 3.83Å; L164-Q289 HydrophobicContact CB-CB 4.04Å; L164-Q289 PolarHBondContact N-O 2.86Å; Y165-Q289 HydrophobicContact CD2-CB 4.49Å; Y165-Q289 VanDerWaalsContact CD2-CD 3.41Å; Y165-Q289 HydrophobicContact CD2-CG 3.72Å; Y165-Q289 HydrophobicContact CE2-CG 3.87Å; K285-Q289 PolarHBondContact O-N 2.89Å; L286-Q289 WeakPolarHBondContact O-CA 3.46Å; L286-Q289 PolarHBondContact O-N 2.75Å |
| 290 | E | 95.1 | Very high | 92.1 | Very high | 109 Ų | 109 | 50.6 Ų | 50.6 | 51% | 0.509 | 26% | 0.263 | S | S | . | . | trans | -84.4 | -11.9 | -179.9 | -70.2 | 168.8 | 174.8 | 0 | 0 | 112.3 | K285 R288 K292 | K285-E290 HydrophobicContact CB-CB 4.35Å; K285-E290 PolarHBondContact O-N 3.36Å; R288-E290 HydrophobicContact CB-CB 4.5Å; R288-E290 HydrophobicContact CB-CG 3.72Å; R288-E290 VanDerWaalsContact CD-OE1 3.25Å; R288-E290 WeakPolarHBondContact CD-OE1 3.4Å; R288-E290 IonicContact NH1-OE1 3.6Å; R288-E290 PolarHBondContact O-N 3.42Å; E290-K292 PolarHBondContact O-N 3.47Å | ||
| 291 | I | 94.6 | Very high | 91.9 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -64.4 | 129.3 | 168.2 | -59.5 | 175.7 | 0 | 0 | 0 | 107.9 | L164 Y282 K285 L286 | L164-I291 WeakPolarHBondContact CA-O 2.98Å; L164-I291 VanDerWaalsContact CB-O 3.31Å; L164-I291 WeakPolarHBondContact CB-O 3.49Å; L164-I291 HydrophobicContact CD1-CB 4.15Å; L164-I291 HydrophobicContact CD1-CG2 4.02Å; L164-I291 HydrophobicContact CD2-CB 4.3Å; L164-I291 PolarHBondContact N-O 3.18Å; Y282-I291 HydrophobicContact CD1-CD1 4.19Å; Y282-I291 HydrophobicContact CE1-CD1 3.57Å; Y282-I291 HydrophobicContact CE2-CD1 4.03Å; Y282-I291 VanDerWaalsContact CZ-CD1 3.49Å; K285-I291 HydrophobicContact CB-CG1 3.97Å; L286-I291 HydrophobicContact CB-CD1 3.71Å; L286-I291 HydrophobicContact CD1-CD1 4.26Å |
| 292 | K | 92.4 | Very high | 91.7 | Very high | 174 Ų | 174 | 48.7 Ų | 48.7 | 76% | 0.757 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 140.7 | -179.2 | -67.5 | -178.2 | 179.5 | 176 | 0 | 110.1 | E290 | E290-K292 PolarHBondContact O-N 3.47Š|
| 293 | P | 92.9 | Very high | 91.7 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 9% | 0.091 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 143.5 | 171.1 | 28 | -34.1 | 0 | 0 | 0 | 110.1 | P162 F167 L295 | P162-P293 HydrophobicContact CB-CG 4.03Å; P162-P293 HydrophobicContact CG-CG 3.99Å; F167-P293 HydrophobicContact CD2-CB 4.3Å; F167-P293 HydrophobicContact CD2-CG 4.24Å; F167-P293 HydrophobicContact CE2-CG 4.1Å; P293-L295 HydrophobicContact CB-CD2 4.47Å; P293-L295 HydrophobicContact CG-CD2 4.43Å |
| 294 | I | 92.3 | Very high | 91.7 | Very high | 36 Ų | 36 | 48.4 Ų | 48.4 | 19% | 0.185 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -75.6 | 127.9 | 174.3 | -59.2 | 179.5 | 0 | 0 | 0 | 108.3 | L303 W308 | I294-L303 HydrophobicContact CB-CB 4.42Å; I294-L303 HydrophobicContact CB-CD1 4.32Å; I294-L303 HydrophobicContact CG2-CD1 3.78Å; I294-L303 HydrophobicContact CG2-CG 4.34Å; I294-L303 PolarHBondContact O-N 3.45Å; I294-W308 HydrophobicContact CD1-CH2 3.84Å |
| 295 | L | 91.9 | Very high | 91.8 | Very high | 51 Ų | 51 | 43.8 Ų | 43.8 | 27% | 0.267 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.4 | -178.3 | -55.7 | 178.8 | 0 | 0 | 0 | 110.5 | F167 P293 V301 P302 | F167-L295 HydrophobicContact CE2-CD2 4.05Å; P293-L295 HydrophobicContact CB-CD2 4.47Å; P293-L295 HydrophobicContact CG-CD2 4.43Å; L295-V301 CarbonylContact C-O 3.42Å; L295-V301 VanDerWaalsContact CA-O 3.28Å; L295-V301 WeakPolarHBondContact CA-O 3.44Å; L295-P302 VanDerWaalsContact CD2-CA 3.47Å; L295-P302 HydrophobicContact CD2-CB 3.63Å |
| 296 | L | 89.8 | Confident | 91.8 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 25% | 0.246 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -83.4 | 169.6 | 170.8 | -57.2 | -178.7 | 0 | 0 | 0 | 111.4 | W135 G298 T300 V301 L303 M593 L596 M648 | W135-L296 HydrophobicContact CH2-CD1 4.3Å; L296-G298 PolarHBondContact O-N 3.31Å; L296-T300 PolarHBondContact O-N 3.43Å; L296-V301 HydrophobicContact CB-CB 4.27Å; L296-V301 PolarHBondContact N-O 2.49Å; L296-V301 PolarHBondContact O-N 2.94Å; L296-V301 VanDerWaalsContact O-N 3.08Å; L296-L303 HydrophobicContact CD1-CD2 3.87Å; L296-L303 HydrophobicContact CD2-CD1 4.33Å; L296-L303 HydrophobicContact CG-CD1 4.35Å; L296-L303 HydrophobicContact CG-CD2 4.1Å; L296-L303 HydrophobicContact CG-CG 4.23Å; L296-M593 HydrophobicContact CD1-CE 4.25Å; L296-L596 HydrophobicContact CD1-CD2 4.24Å; L296-M648 HydrophobicContact CD1-CE 4.32Å |
| 297 | L | 83.7 | Confident | 91.8 | Very high | 52 Ų | 52 | 40.8 Ų | 40.8 | 27% | 0.272 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | 54.1 | 54.5 | 172.5 | -157.9 | 71.8 | 0 | 0 | 0 | 113.3 | W135 L143 W150 M151 T300 V301 | W135-L297 HydrophobicContact CD2-CD2 4.44Å; W135-L297 HydrophobicContact CE3-CD1 4.48Å; W135-L297 HydrophobicContact CE3-CD2 4.07Å; L143-L297 HydrophobicContact CD2-CD1 4.24Å; W150-L297 HydrophobicContact CZ3-CD2 4.17Å; M151-L297 HydrophobicContact CE-CD2 3.69Å; M151-L297 HydrophobicContact CE-CG 3.75Å; M151-L297 HydrophobicContact CG-CD2 3.92Å; M151-L297 HydrophobicContact SD-CD2 3.5Å; M151-L297 VanDerWaalsContact SD-CD2 3.5Å; M151-L297 HydrophobicContact SD-CG 4.11Å; L297-T300 WeakPolarHBondContact O-CB 3.41Å; L297-T300 PolarHBondContact O-OG1 3.18Å; L297-V301 HydrophobicContact CB-CG2 4.43Å |
| 298 | G | 75.4 | Confident | 92 | Very high | 63 Ų | 63 | 39.1 Ų | 39.1 | 65% | 0.649 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | 61.9 | 50.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L296 | L296-G298 PolarHBondContact O-N 3.31Å |
| 299 | S | 82.8 | Confident | 91.9 | Very high | 87 Ų | 87 | 40.1 Ų | 40.1 | 61% | 0.608 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | 68.3 | 36 | 178.8 | -53.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 300 | T | 89.2 | Confident | 91.9 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -46.7 | -176.6 | -49.6 | 0 | 0 | 0 | 0 | 113.2 | M151 V154 K155 L296 L297 | M151-T300 HydrophobicContact CB-CG2 4.09Å; M151-T300 HydrophobicContact CE-CG2 4.31Å; M151-T300 VanDerWaalsContact CE-OG1 3.29Å; M151-T300 WeakPolarHBondContact CE-OG1 3.24Å; M151-T300 HydrophobicContact CG-CG2 4.09Å; V154-T300 HydrophobicContact CB-CG2 3.96Å; V154-T300 HydrophobicContact CG1-CG2 3.79Å; V154-T300 WeakPolarHBondContact CG1-O 3.5Å; K155-T300 WeakPolarHBondContact CE-OG1 3.36Å; K155-T300 HydrophobicContact CG-CG2 4.32Å; L296-T300 PolarHBondContact O-N 3.43Å; L297-T300 WeakPolarHBondContact O-CB 3.41Å; L297-T300 PolarHBondContact O-OG1 3.18Å |
| 301 | V | 93.4 | Very high | 91.9 | Very high | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 112 | -171.1 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | W135 W150 L295 L296 L297 L596 | W135-V301 HydrophobicContact CH2-CG2 4.42Å; W135-V301 HydrophobicContact CZ2-CB 4.35Å; W135-V301 HydrophobicContact CZ2-CG1 3.96Å; W135-V301 HydrophobicContact CZ2-CG2 4Å; W150-V301 HydrophobicContact CH2-CG2 3.52Å; W150-V301 HydrophobicContact CZ2-CG2 4.44Å; W150-V301 HydrophobicContact CZ3-CG2 4.24Å; L295-V301 CarbonylContact C-O 3.42Å; L295-V301 VanDerWaalsContact CA-O 3.28Å; L295-V301 WeakPolarHBondContact CA-O 3.44Å; L296-V301 HydrophobicContact CB-CB 4.27Å; L296-V301 PolarHBondContact N-O 2.49Å; L296-V301 PolarHBondContact O-N 2.94Å; L296-V301 VanDerWaalsContact O-N 3.08Å; L297-V301 HydrophobicContact CB-CG2 4.43Å; V301-L596 HydrophobicContact CG1-CD2 3.74Å |
| 302 | P | 95.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 145.3 | -179.9 | 31.8 | -35.8 | 0 | 0 | 0 | 112.7 | L130 F167 L171 L295 | L130-P302 HydrophobicContact CD1-CG 3.87Å; L130-P302 HydrophobicContact CD2-CG 4.23Å; F167-P302 HydrophobicContact CB-CB 3.83Å; F167-P302 HydrophobicContact CB-CG 3.91Å; F167-P302 HydrophobicContact CD1-CB 4.04Å; F167-P302 HydrophobicContact CD1-CG 3.64Å; F167-P302 HydrophobicContact CD2-CB 3.57Å; F167-P302 HydrophobicContact CD2-CG 4.14Å; F167-P302 HydrophobicContact CE1-CB 4.48Å; F167-P302 HydrophobicContact CE1-CG 4.12Å; F167-P302 HydrophobicContact CE2-CB 4.06Å; F167-P302 HydrophobicContact CG-CB 3.55Å; F167-P302 HydrophobicContact CG-CG 3.64Å; F167-P302 HydrophobicContact CZ-CB 4.48Å; L171-P302 HydrophobicContact CD2-CG 4.09Å; L295-P302 VanDerWaalsContact CD2-CA 3.47Å; L295-P302 HydrophobicContact CD2-CB 3.63Å |
| 303 | L | 95.7 | Very high | 92.3 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -96.7 | 153.3 | 166.1 | -61.4 | -174.5 | 0 | 0 | 0 | 111.1 | I294 L296 M593 R595 L596 | I294-L303 HydrophobicContact CB-CB 4.42Å; I294-L303 HydrophobicContact CB-CD1 4.32Å; I294-L303 HydrophobicContact CG2-CD1 3.78Å; I294-L303 HydrophobicContact CG2-CG 4.34Å; I294-L303 PolarHBondContact O-N 3.45Å; L296-L303 HydrophobicContact CD1-CD2 3.87Å; L296-L303 HydrophobicContact CD2-CD1 4.33Å; L296-L303 HydrophobicContact CG-CD1 4.35Å; L296-L303 HydrophobicContact CG-CD2 4.1Å; L296-L303 HydrophobicContact CG-CG 4.23Å; L303-M593 HydrophobicContact CD1-CE 3.83Å; L303-M593 HydrophobicContact CD1-SD 3.86Å; L303-M593 HydrophobicContact CD2-CE 4.36Å; L303-R595 CarbonylContact C-O 3.54Å; L303-R595 WeakPolarHBondContact CA-O 3.48Å; L303-R595 HydrophobicContact CB-CB 4.13Å; L303-R595 HydrophobicContact CD2-CB 4.25Å; L303-L596 HydrophobicContact CD2-CD2 3.82Å; L303-L596 HydrophobicContact CD2-CG 4.34Å |
| 304 | C | 96.8 | Very high | 92.5 | Very high | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.027 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 139 | 172.7 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | Q168 L171 A306 R595 F597 E599 | Q168-C304 PolarHBondContact OE1-SG 2.8Å; L171-C304 HydrophobicContact CD1-CB 3.79Å; C304-A306 PolarHBondContact SG-N 3.27Å; C304-R595 HydrophobicContact CB-CB 4.32Å; C304-R595 WeakPolarHBondContact CB-O 3.47Å; C304-R595 PolarHBondContact N-O 2.86Å; C304-R595 VanDerWaalsContact O-CZ 3.31Å; C304-R595 PolarHBondContact O-NE 3.36Å; C304-R595 PolarHBondContact O-NH2 2.94Å; C304-F597 VanDerWaalsContact CB-O 3.32Å; C304-F597 WeakPolarHBondContact CB-O 3.09Å; C304-E599 PolarHBondContact SG-N 2.88Å |
| 305 | S | 96.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | trans | -113.5 | 2.7 | -178.3 | -48.2 | 0 | 0 | 0 | 0 | 112.2 | L164 Y165 Q307 W308 | L164-S305 WeakPolarHBondContact O-CB 3.43Å; L164-S305 PolarHBondContact O-OG 3.15Å; Y165-S305 WeakPolarHBondContact CE1-O 3.24Å; S305-Q307 PolarHBondContact O-N 3Å; S305-Q307 VanDerWaalsContact O-N 3.11Å; S305-W308 WeakPolarHBondContact O-CB 3.37Å; S305-W308 PolarHBondContact O-N 3.34Å | ||
| 306 | A | 95 | Very high | 93.1 | Very high | 21 Ų | 21 | 25 Ų | 25 | 17% | 0.174 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -56.2 | -33.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | C304 W308 E309 E599 | C304-A306 PolarHBondContact SG-N 3.27Å; A306-W308 PolarHBondContact O-N 3.5Å; A306-W308 VanDerWaalsContact O-N 3.13Å; A306-E309 WeakPolarHBondContact O-CB 3.36Å; A306-E309 WeakPolarHBondContact O-CG 3.4Å; A306-E309 PolarHBondContact O-N 3.47Å; A306-E309 VanDerWaalsContact O-N 3.08Å; A306-E599 HydrophobicContact CB-CG 4.02Å |
| 307 | Q | 95.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 23.3 Ų | 23.3 | 7% | 0.065 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -61 | -24.1 | -179.8 | -59.7 | -171.7 | 42.2 | 0 | 0 | 113.3 | S305 E309 W475 A476 D477 I480 G600 | S305-Q307 PolarHBondContact O-N 3Å; S305-Q307 VanDerWaalsContact O-N 3.11Å; Q307-E309 VanDerWaalsContact C-N 3.25Å; Q307-E309 PolarHBondContact O-N 2.94Å; Q307-W475 VanDerWaalsContact O-CZ3 3.29Å; Q307-W475 WeakPolarHBondContact O-CZ3 3.48Å; Q307-A476 HydrophobicContact CB-CB 4.02Å; Q307-D477 PolarHBondContact NE2-OD2 3.49Å; Q307-D477 PolarHBondContact OE1-OD2 3.26Å; Q307-I480 HydrophobicContact CB-CD1 4Å; Q307-I480 HydrophobicContact CB-CG1 3.79Å; Q307-I480 HydrophobicContact CB-CG2 4.28Å; Q307-I480 HydrophobicContact CG-CG1 4.38Å; Q307-I480 VanDerWaalsContact OE1-CG1 3.25Å; Q307-G600 PolarHBondContact NE2-O 2.94Å |
| 308 | W | 95.6 | Very high | 94.2 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -66.6 | -24.1 | 176.2 | -90.8 | -91.5 | 0 | 0 | 0 | 113.8 | L164 Y282 L286 I294 S305 A306 R310 M311 I480 H483 | L164-W308 HydrophobicContact CD2-CB 4.17Å; L164-W308 HydrophobicContact CD2-CG 4.27Å; Y282-W308 AromaticContact CZ-NE1 3.91Å; Y282-W308 PolarHBondContact OH-NE1 2.94Å; L286-W308 HydrophobicContact CD1-CB 3.74Å; L286-W308 HydrophobicContact CD1-CG 4.12Å; I294-W308 HydrophobicContact CD1-CH2 3.84Å; S305-W308 WeakPolarHBondContact O-CB 3.37Å; S305-W308 PolarHBondContact O-N 3.34Å; A306-W308 PolarHBondContact O-N 3.5Å; A306-W308 VanDerWaalsContact O-N 3.13Å; W308-R310 PolarHBondContact O-N 2.92Å; W308-M311 HydrophobicContact CG-CE 4.33Å; W308-M311 PolarHBondContact O-N 3.38Å; W308-I480 HydrophobicContact CD2-CG2 4.08Å; W308-I480 HydrophobicContact CE3-CD1 3.8Å; W308-I480 HydrophobicContact CE3-CG2 4.25Å; W308-I480 HydrophobicContact CH2-CD1 3.46Å; W308-I480 VanDerWaalsContact CH2-CD1 3.46Å; W308-I480 HydrophobicContact CZ2-CD1 4.28Å; W308-I480 HydrophobicContact CZ2-CG2 4.36Å; W308-I480 HydrophobicContact CZ3-CD1 3.19Å; W308-I480 HydrophobicContact CZ3-CG2 4.49Å; W308-H483 HydrophobicContact CZ2-CB 4.06Å; W308-H483 AromaticContact CZ2-CD2 3.83Å; W308-H483 AromaticContact CZ2-CG 3.85Å |
| 309 | E | 92.4 | Very high | 95.3 | Very high | 110 Ų | 110 | 19.2 Ų | 19.2 | 51% | 0.514 | 11% | 0.107 | S | C | . | . | G | 310 helix | trans | -59.8 | -34.7 | -174 | -67.9 | -178.3 | 179.5 | 0 | 0 | 112.4 | Y165 A306 Q307 H327 | Y165-E309 HydrophobicContact CE1-CG 3.99Å; Y165-E309 WeakPolarHBondContact OH-CG 3.49Å; A306-E309 WeakPolarHBondContact O-CB 3.36Å; A306-E309 WeakPolarHBondContact O-CG 3.4Å; A306-E309 PolarHBondContact O-N 3.47Å; A306-E309 VanDerWaalsContact O-N 3.08Å; Q307-E309 VanDerWaalsContact C-N 3.25Å; Q307-E309 PolarHBondContact O-N 2.94Å; E309-H327 PolarHBondContact O-CE1 3.21Å |
| 310 | R | 93.7 | Very high | 95.9 | Very high | 90 Ų | 90 | 19.5 Ų | 19.5 | 34% | 0.34 | 10% | 0.098 | S | C | . | . | G | 310 helix | trans | -101.3 | 5.7 | -174.1 | -63.2 | -178.8 | -174.7 | 178.6 | -1.5 | 114 | E237 W308 F312 T314 T456 W475 | E237-R310 IonicContact OE1-CZ 3.92Å; E237-R310 IonicContact OE1-NH1 2.87Å; E237-R310 PolarHBondContact OE1-NH1 2.98Å; E237-R310 IonicContact OE2-CZ 2.76Å; E237-R310 IonicContact OE2-NH1 3.86Å; E237-R310 PolarHBondContact OE2-NH1 3.47Å; W308-R310 PolarHBondContact O-N 2.92Å; R310-F312 VanDerWaalsContact C-N 3.34Å; R310-F312 PolarHBondContact O-N 2.9Å; R310-T314 HydrophobicContact CB-CG2 4.4Å; R310-T314 VanDerWaalsContact O-CB 3.28Å; R310-T314 WeakPolarHBondContact O-CB 3.43Å; R310-T314 PolarHBondContact O-OG1 2.8Å; R310-T456 WeakPolarHBondContact O-CG2 3.43Å; R310-W475 HydrophobicContact CB-CB 4.22Å; R310-W475 HydrophobicContact CB-CE3 4.15Å |
| 311 | M | 95.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -58.7 | -40.2 | -174.4 | -178.6 | -179.8 | -74.4 | 0 | 0 | 114.3 | Y282 L286 W308 T456 F457 W475 I480 L484 | Y282-M311 HydrophobicContact CD1-SD 4.25Å; Y282-M311 HydrophobicContact CE1-CE 4.22Å; Y282-M311 HydrophobicContact CE1-SD 3.59Å; Y282-M311 VanDerWaalsContact CE1-SD 3.59Å; L286-M311 HydrophobicContact CD2-CB 4.3Å; L286-M311 HydrophobicContact CD2-SD 4.32Å; W308-M311 HydrophobicContact CG-CE 4.33Å; W308-M311 PolarHBondContact O-N 3.38Å; M311-T456 PolarHBondContact O-OG1 3.37Å; M311-F457 HydrophobicContact CG-CE1 4.43Å; M311-W475 HydrophobicContact CB-CH2 3.82Å; M311-W475 HydrophobicContact CB-CZ3 3.69Å; M311-W475 HydrophobicContact CE-CH2 4.41Å; M311-W475 HydrophobicContact CG-CH2 3.83Å; M311-W475 HydrophobicContact CG-CZ3 4.23Å; M311-I480 HydrophobicContact CE-CG2 3.62Å; M311-L484 HydrophobicContact CE-CB 4.12Å; M311-L484 HydrophobicContact CG-CD2 4.42Å; M311-L484 HydrophobicContact SD-CB 4.04Å; M311-L484 HydrophobicContact SD-CD1 4.2Å; M311-L484 HydrophobicContact SD-CD2 3.99Å; M311-L484 HydrophobicContact SD-CG 4.31Å |
| 312 | F | 97.4 | Very high | 96.3 | Very high | 8 Ų | 8 | 28.8 Ų | 28.8 | 4% | 0.035 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -117 | 159.1 | -180 | -61.9 | -83.4 | 0 | 0 | 0 | 110.9 | I279 Y282 R283 L286 R310 T314 H327 A415 F416 F457 L484 | I279-F312 HydrophobicContact CG2-CE1 3.45Å; I279-F312 VanDerWaalsContact CG2-CE1 3.45Å; I279-F312 HydrophobicContact CG2-CZ 3.9Å; Y282-F312 HydrophobicContact CD1-CE2 4.06Å; Y282-F312 HydrophobicContact CD1-CZ 4.19Å; Y282-F312 HydrophobicContact CE1-CE2 4.49Å; R283-F312 HydrophobicContact CB-CD1 4.4Å; R283-F312 HydrophobicContact CB-CD2 4.03Å; R283-F312 HydrophobicContact CB-CE1 4.12Å; R283-F312 HydrophobicContact CB-CE2 3.74Å; R283-F312 HydrophobicContact CB-CG 4.34Å; R283-F312 HydrophobicContact CB-CZ 3.8Å; R283-F312 HydrophobicContact CG-CB 4.36Å; R283-F312 HydrophobicContact CG-CD1 4.23Å; R283-F312 HydrophobicContact CG-CD2 3.74Å; R283-F312 HydrophobicContact CG-CE1 4.45Å; R283-F312 HydrophobicContact CG-CE2 4.02Å; R283-F312 HydrophobicContact CG-CG 3.85Å; R283-F312 HydrophobicContact CG-CZ 4.36Å; L286-F312 HydrophobicContact CD2-CD2 3.79Å; L286-F312 HydrophobicContact CD2-CE2 3.89Å; R310-F312 VanDerWaalsContact C-N 3.34Å; R310-F312 PolarHBondContact O-N 2.9Å; F312-T314 PolarHBondContact O-N 3.16Å; F312-T314 PolarHBondContact O-OG1 3.24Å; F312-H327 PolarHBondContact O-CE1 3.47Å; F312-H327 VanDerWaalsContact O-CE1 3.24Å; F312-H327 PolarHBondContact O-ND1 2.84Å; F312-A415 WeakPolarHBondContact CA-O 3.39Å; F312-F416 HydrophobicContact CD1-CD1 4.1Å; F312-F416 HydrophobicContact CE1-CD1 4.17Å; F312-F457 HydrophobicContact CD1-CE1 4.01Å; F312-F457 HydrophobicContact CD1-CZ 4.02Å; F312-F457 AromaticContact CE1-CE1 3.88Å; F312-F457 HydrophobicContact CE1-CE1 3.88Å; F312-F457 AromaticContact CE1-CZ 3.61Å; F312-F457 HydrophobicContact CE1-CZ 3.61Å; F312-F457 HydrophobicContact CZ-CZ 4.44Å; F312-L484 HydrophobicContact CZ-CD1 3.97Å; F312-L484 HydrophobicContact CZ-CD2 4.39Å |
| 313 | N | 96.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.027 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 60.8 | 26.1 | 175.9 | -35.5 | -29.9 | 0 | 0 | 0 | 113.3 | R283 V328 S331 A415 | R283-N313 PolarHBondContact NE-OD1 3.29Å; R283-N313 VanDerWaalsContact NH2-CG 3.34Å; R283-N313 PolarHBondContact NH2-ND2 3.07Å; R283-N313 PolarHBondContact NH2-OD1 2.86Å; N313-V328 HydrophobicContact CB-CG2 3.71Å; N313-V328 WeakPolarHBondContact CB-O 3.45Å; N313-V328 PolarHBondContact ND2-O 3.34Å; N313-V328 PolarHBondContact O-N 2.91Å; N313-S331 VanDerWaalsContact OD1-CB 3.31Å; N313-S331 WeakPolarHBondContact OD1-CB 3.09Å; N313-A415 PolarHBondContact N-O 2.77Å; N313-A415 WeakPolarHBondContact OD1-CA 3.44Å |
| 314 | T | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 144.2 | -179.4 | -44.6 | 0 | 0 | 0 | 0 | 109.1 | R310 F312 L325 Q326 H327 K455 T456 | R310-T314 HydrophobicContact CB-CG2 4.4Å; R310-T314 VanDerWaalsContact O-CB 3.28Å; R310-T314 WeakPolarHBondContact O-CB 3.43Å; R310-T314 PolarHBondContact O-OG1 2.8Å; F312-T314 PolarHBondContact O-N 3.16Å; F312-T314 PolarHBondContact O-OG1 3.24Å; T314-L325 HydrophobicContact CG2-CB 4.35Å; T314-L325 HydrophobicContact CG2-CD2 4.13Å; T314-Q326 CarbonylContact C-O 3.5Å; T314-Q326 WeakPolarHBondContact CA-O 3.34Å; T314-Q326 WeakPolarHBondContact CG2-O 3.24Å; T314-H327 HydrophobicContact CG2-CB 4.22Å; T314-H327 PolarHBondContact OG1-ND1 3.03Å; T314-K455 WeakPolarHBondContact O-CE 3.28Å; T314-T456 VanDerWaalsContact CB-CG2 3.44Å; T314-T456 HydrophobicContact CG2-CG2 3.98Å |
| 315 | S | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 146.2 | 169.8 | -47.1 | 0 | 0 | 0 | 0 | 108.9 | Q326 E412 D454 K455 | S315-Q326 PolarHBondContact N-O 3.04Å; S315-Q326 PolarHBondContact O-N 3.11Å; S315-E412 WeakPolarHBondContact OG-CA 3.33Å; S315-E412 PolarHBondContact OG-O 2.88Å; S315-D454 CarbonylContact C-O 3.57Å; S315-D454 WeakPolarHBondContact CA-O 3.42Å; S315-K455 PolarHBondContact OG-NZ 3.02Å |
| 316 | R | 98.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 132.9 | 165.1 | -176 | 171.2 | 172.3 | 160.2 | -1.6 | 108.7 | Y241 L242 D323 T324 L325 D454 E472 | Y241-R316 PolarHBondContact O-NH1 3.49Å; Y241-R316 PolarHBondContact O-NH2 3.47Å; L242-R316 HydrophobicContact CD2-CG 4.3Å; R316-D323 HydrophobicContact CG-CB 4.04Å; R316-D323 IonicContact CZ-OD2 3.87Å; R316-D323 VanDerWaalsContact CZ-OD2 3.27Å; R316-D323 IonicContact NE-OD2 2.81Å; R316-D323 PolarHBondContact NE-OD2 3.28Å; R316-D323 IonicContact NH2-OD2 2.79Å; R316-D323 PolarHBondContact NH2-OD2 3.47Å; R316-T324 CarbonylContact C-O 3.48Å; R316-T324 WeakPolarHBondContact CA-O 3.36Å; R316-L325 HydrophobicContact CB-CD2 4.16Å; R316-D454 HydrophobicContact CB-CB 4.38Å; R316-D454 PolarHBondContact N-O 3.49Å; R316-D454 WeakPolarHBondContact O-CB 3.3Å; R316-E472 HydrophobicContact CB-CG 4.32Å; R316-E472 WeakPolarHBondContact CD-OE1 3.13Å; R316-E472 IonicContact NH1-OE1 3.53Å; R316-E472 PolarHBondContact NH1-OE1 3.24Å |
| 317 | I | 98.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 38.9 Ų | 38.9 | 6% | 0.062 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.3 | -179.4 | -51.8 | -57.9 | 0 | 0 | 0 | 107.2 | D323 T324 Q326 E412 | I317-D323 CarbonylContact O-C 3.21Å; I317-D323 VanDerWaalsContact O-CA 3.26Å; I317-D323 WeakPolarHBondContact O-CA 3.34Å; I317-D323 VanDerWaalsContact O-CB 3.31Å; I317-D323 WeakPolarHBondContact O-CB 3.29Å; I317-T324 PolarHBondContact N-O 3.41Å; I317-T324 PolarHBondContact O-N 3.07Å; I317-Q326 HydrophobicContact CD1-CB 4Å; I317-Q326 HydrophobicContact CG1-CB 3.61Å; I317-E412 HydrophobicContact CD1-CB 4.42Å; I317-E412 VanDerWaalsContact CD1-CD 3.47Å; I317-E412 HydrophobicContact CD1-CG 3.94Å |
| 318 | P | 98.3 | Very high | 96.4 | Very high | 10 Ų | 10 | 39.8 Ų | 39.8 | 7% | 0.065 | 20% | 0.2 | C | C | . | . | trans | -66.5 | 137.6 | -179.5 | 33.5 | -41.9 | 0 | 0 | 0 | 110.8 | D323 W391 A392 R395 | P318-D323 WeakPolarHBondContact CA-OD1 3.3Å; P318-W391 HydrophobicContact CB-CB 4.28Å; P318-W391 HydrophobicContact CB-CG 3.9Å; P318-W391 VanDerWaalsContact CG-CD1 3.45Å; P318-W391 HydrophobicContact CG-CD2 3.93Å; P318-W391 HydrophobicContact CG-CG 3.74Å; P318-W391 HydrophobicContact CG-CZ2 4.45Å; P318-A392 HydrophobicContact CB-CB 3.98Å; P318-R395 HydrophobicContact CG-CB 4.34Å | ||
| 319 | G | 97.6 | Very high | 95.6 | Very high | 19 Ų | 19 | 47.2 Ų | 47.2 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | trans | -125 | 165.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R245 T322 D323 A392 | R245-G319 PolarHBondContact NH1-O 3.07Å; G319-T322 WeakPolarHBondContact CA-O 3.47Å; G319-D323 PolarHBondContact N-OD1 2.92Å; G319-A392 WeakPolarHBondContact O-CB 3.35Å | ||
| 320 | E | 96.9 | Very high | 95.1 | Very high | 92 Ų | 92 | 45.3 Ų | 45.3 | 43% | 0.43 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -67.6 | -51.9 | 178.9 | -66.6 | -166.6 | -126.1 | 0 | 0 | 110.9 | R245 V389 A392 K393 | R245-E320 WeakPolarHBondContact CD-O 3.44Å; R245-E320 PolarHBondContact NH1-O 3.12Å; E320-V389 WeakPolarHBondContact O-CG2 3.26Å; E320-A392 HydrophobicContact CG-CB 4.23Å; E320-K393 HydrophobicContact CG-CG 4.33Å; E320-K393 WeakPolarHBondContact OE2-CE 3.47Å; E320-K393 IonicContact OE2-NZ 2.77Å |
| 321 | E | 94.1 | Very high | 95 | Very high | 165 Ų | 165 | 41.4 Ų | 41.4 | 77% | 0.771 | 21% | 0.212 | S | C | * | . | S | Bend | trans | -92.2 | -40.4 | 179.2 | -61.8 | -175.5 | 173.5 | 0 | 0 | 113.1 | R245 | R245-E321 PolarHBondContact NH1-O 3Š|
| 322 | T | 95.3 | Very high | 94.9 | Very high | 42 Ų | 42 | 45.8 Ų | 45.8 | 26% | 0.258 | 23% | 0.231 | S | C | . | . | trans | -144.8 | 130.2 | -173.5 | -55.4 | 0 | 0 | 0 | 0 | 109.7 | E238 L242 R243 G319 | E238-T322 HydrophobicContact CG-CG2 4.3Å; L242-T322 HydrophobicContact CB-CG2 4.16Å; R243-T322 HydrophobicContact CG-CG2 3.84Å; R243-T322 WeakPolarHBondContact CG-OG1 3.12Å; G319-T322 WeakPolarHBondContact CA-O 3.47Å | ||
| 323 | D | 98.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -76.8 | 165.9 | 172.2 | -67.1 | 7.2 | 0 | 0 | 0 | 110.5 | L242 R245 R316 I317 P318 G319 R388 | L242-D323 HydrophobicContact CB-CB 4.33Å; L242-D323 HydrophobicContact CD2-CB 4.05Å; L242-D323 PolarHBondContact O-N 3.26Å; R245-D323 IonicContact CZ-OD1 2.98Å; R245-D323 IonicContact NH1-OD1 2.63Å; R245-D323 PolarHBondContact NH1-OD1 2.94Å; R245-D323 IonicContact NH2-OD1 3.55Å; R245-D323 PolarHBondContact NH2-OD1 3.28Å; R245-D323 IonicContact NH2-OD2 2.78Å; R316-D323 HydrophobicContact CG-CB 4.04Å; R316-D323 IonicContact CZ-OD2 3.87Å; R316-D323 VanDerWaalsContact CZ-OD2 3.27Å; R316-D323 IonicContact NE-OD2 2.81Å; R316-D323 PolarHBondContact NE-OD2 3.28Å; R316-D323 IonicContact NH2-OD2 2.79Å; R316-D323 PolarHBondContact NH2-OD2 3.47Å; I317-D323 CarbonylContact O-C 3.21Å; I317-D323 VanDerWaalsContact O-CA 3.26Å; I317-D323 WeakPolarHBondContact O-CA 3.34Å; I317-D323 VanDerWaalsContact O-CB 3.31Å; I317-D323 WeakPolarHBondContact O-CB 3.29Å; P318-D323 WeakPolarHBondContact CA-OD1 3.3Å; G319-D323 PolarHBondContact N-OD1 2.92Å; D323-R388 IonicContact OD2-CZ 2.71Å; D323-R388 IonicContact OD2-NE 2.85Å; D323-R388 PolarHBondContact OD2-NE 3.32Å; D323-R388 IonicContact OD2-NH2 3.99Å; D323-R388 PolarHBondContact OD2-NH2 3.43Å | ||
| 324 | T | 97.3 | Very high | 95 | Very high | 80 Ų | 80 | 45.9 Ų | 45.9 | 49% | 0.491 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151.5 | 176.6 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | R316 I317 | R316-T324 CarbonylContact C-O 3.48Å; R316-T324 WeakPolarHBondContact CA-O 3.36Å; I317-T324 PolarHBondContact N-O 3.41Å; I317-T324 PolarHBondContact O-N 3.07Å |
| 325 | L | 96.2 | Very high | 95 | Very high | 30 Ų | 30 | 45.9 Ų | 45.9 | 16% | 0.157 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 111.5 | 170.9 | -73.8 | 170.4 | 0 | 0 | 0 | 110.2 | E237 L242 T314 R316 S474 W475 | E237-L325 HydrophobicContact CG-CD1 4.38Å; L242-L325 HydrophobicContact CD2-CG 4.34Å; T314-L325 HydrophobicContact CG2-CB 4.35Å; T314-L325 HydrophobicContact CG2-CD2 4.13Å; R316-L325 HydrophobicContact CB-CD2 4.16Å; L325-S474 WeakPolarHBondContact CD2-OG 3.49Å; L325-W475 HydrophobicContact CD1-CB 3.88Å; L325-W475 HydrophobicContact CD2-CB 4.48Å |
| 326 | Q | 96.3 | Very high | 95.1 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 27% | 0.266 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 114.8 | 173 | -177.1 | -169.7 | 102.7 | 0 | 0 | 109.4 | T314 S315 I317 V328 | T314-Q326 CarbonylContact C-O 3.5Å; T314-Q326 WeakPolarHBondContact CA-O 3.34Å; T314-Q326 WeakPolarHBondContact CG2-O 3.24Å; S315-Q326 PolarHBondContact N-O 3.04Å; S315-Q326 PolarHBondContact O-N 3.11Å; I317-Q326 HydrophobicContact CD1-CB 4Å; I317-Q326 HydrophobicContact CG1-CB 3.61Å; Q326-V328 HydrophobicContact CG-CG1 4.42Å |
| 327 | H | 95.6 | Very high | 95.1 | Very high | 77 Ų | 77 | 46.2 Ų | 46.2 | 36% | 0.356 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129 | 173.4 | 179.3 | 73.2 | 0 | 0 | 0 | 111.4 | E309 F312 T314 | E309-H327 PolarHBondContact O-CE1 3.21Å; F312-H327 PolarHBondContact O-CE1 3.47Å; F312-H327 VanDerWaalsContact O-CE1 3.24Å; F312-H327 PolarHBondContact O-ND1 2.84Å; T314-H327 HydrophobicContact CG2-CB 4.22Å; T314-H327 PolarHBondContact OG1-ND1 3.03Å |
| 328 | V | 93.1 | Very high | 95.1 | Very high | 33 Ų | 33 | 46 Ų | 46 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | trans | -114 | 139 | 177.4 | -55.7 | 0 | 0 | 0 | 0 | 112.6 | N313 Q326 D330 K413 | N313-V328 HydrophobicContact CB-CG2 3.71Å; N313-V328 WeakPolarHBondContact CB-O 3.45Å; N313-V328 PolarHBondContact ND2-O 3.34Å; N313-V328 PolarHBondContact O-N 2.91Å; Q326-V328 HydrophobicContact CG-CG1 4.42Å; V328-D330 PolarHBondContact O-N 2.97Å; V328-K413 HydrophobicContact CG1-CG 4.24Å; V328-K413 HydrophobicContact CG2-CB 4.3Å; V328-K413 HydrophobicContact CG2-CG 4.47Å | ||
| 329 | K | 80.3 | Confident | 95 | Very high | 158 Ų | 158 | 50.6 Ų | 50.6 | 69% | 0.687 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -73.7 | -22.9 | -166.1 | -68.5 | -176.5 | 178 | 177 | 0 | 115.3 | R45 | R45-K329 PolarHBondContact NH1-O 2.7Å; R45-K329 PolarHBondContact NH2-O 3.48Å |
| 330 | D | 80.4 | Confident | 95 | Very high | 71 Ų | 71 | 49.7 Ų | 49.7 | 38% | 0.38 | 24% | 0.241 | S | C | . | . | trans | -150.1 | 61.6 | -167.6 | -67.8 | -53.6 | 0 | 0 | 0 | 114.3 | K41 R45 V328 | K41-D330 IonicContact NZ-OD1 3.74Å; K41-D330 PolarHBondContact NZ-OD1 3.37Å; R45-D330 IonicContact CZ-OD1 3.63Å; R45-D330 IonicContact NH1-OD1 3.88Å; R45-D330 PolarHBondContact NH1-OD1 2.99Å; R45-D330 IonicContact NH1-OD2 3.77Å; R45-D330 PolarHBondContact NH1-OD2 3.09Å; R45-D330 IonicContact NH2-OD1 3.95Å; R45-D330 PolarHBondContact NH2-OD1 3.2Å; V328-D330 PolarHBondContact O-N 2.97Å | ||
| 331 | S | 92.4 | Very high | 95 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 5% | 0.049 | 22% | 0.222 | C | C | . | . | trans | -69.6 | 137.2 | 171.3 | -170.3 | 0 | 0 | 0 | 0 | 112.6 | R283 N313 H333 K413 A415 | R283-S331 PolarHBondContact NH1-O 3.25Å; R283-S331 PolarHBondContact NH2-O 2.93Å; N313-S331 VanDerWaalsContact OD1-CB 3.31Å; N313-S331 WeakPolarHBondContact OD1-CB 3.09Å; S331-H333 PolarHBondContact OG-O 3.44Å; S331-K413 WeakPolarHBondContact CB-O 3.47Å; S331-K413 PolarHBondContact OG-O 3.44Å; S331-A415 PolarHBondContact OG-N 2.68Å; S331-A415 VanDerWaalsContact OG-N 3.12Å | ||
| 332 | K | 92.9 | Very high | 95.3 | Very high | 92 Ų | 92 | 38 Ų | 38 | 40% | 0.4 | 19% | 0.186 | S | C | . | . | trans | -118.2 | 5.3 | -177.6 | -70.1 | -174.9 | 179.2 | -175.1 | 0 | 113.5 | S34 W346 L347 Y348 | S34-K332 PolarHBondContact OG-NZ 3.34Å; K332-W346 HydrophobicContact CB-CE3 4.01Å; K332-W346 HydrophobicContact CB-CZ3 3.8Å; K332-L347 WeakPolarHBondContact O-CB 3.4Å; K332-L347 PolarHBondContact O-N 3.16Å; K332-Y348 HydrophobicContact CB-CD2 4.32Å; K332-Y348 HydrophobicContact CG-CD2 4.48Å | ||
| 333 | H | 97.9 | Very high | 95.4 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 7% | 0.069 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 162 | -177.8 | 68.3 | -80.8 | 0 | 0 | 0 | 110.9 | S331 K344 V345 W346 A410 A415 | S331-H333 PolarHBondContact OG-O 3.44Å; H333-K344 HydrophobicContact CB-CG 4.07Å; H333-V345 CarbonylContact C-O 3.6Å; H333-V345 WeakPolarHBondContact CA-O 3.26Å; H333-V345 VanDerWaalsContact CB-O 3.25Å; H333-V345 WeakPolarHBondContact CB-O 3.39Å; H333-W346 HydrophobicContact CB-CD2 4.48Å; H333-W346 HydrophobicContact CB-CE3 4.11Å; H333-A410 PolarHBondContact NE2-O 2.85Å; H333-A415 PolarHBondContact O-N 2.75Å |
| 334 | I | 98.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 166.2 | 161.3 | 56.4 | 175.6 | 0 | 0 | 0 | 108.8 | I276 V336 V345 L347 A415 F416 V418 | I276-I334 HydrophobicContact CD1-CD1 3.96Å; I276-I334 HydrophobicContact CG2-CD1 4.16Å; I334-V336 HydrophobicContact CD1-CG2 3.89Å; I334-V336 HydrophobicContact CG1-CG2 4.2Å; I334-V345 HydrophobicContact CD1-CB 4.43Å; I334-V345 HydrophobicContact CG1-CB 3.88Å; I334-V345 PolarHBondContact N-O 2.79Å; I334-V345 PolarHBondContact O-N 3.48Å; I334-L347 HydrophobicContact CD1-CD2 4.21Å; I334-L347 HydrophobicContact CG1-CD2 4.01Å; I334-L347 HydrophobicContact CG2-CD1 4.11Å; I334-L347 HydrophobicContact CG2-CD2 3.97Å; I334-L347 HydrophobicContact CG2-CG 4.37Å; I334-A415 HydrophobicContact CG2-CB 4.28Å; I334-F416 HydrophobicContact CG2-CD1 3.9Å; I334-F416 HydrophobicContact CG2-CD2 4.21Å; I334-F416 HydrophobicContact CG2-CE1 3.69Å; I334-F416 HydrophobicContact CG2-CE2 4.02Å; I334-F416 HydrophobicContact CG2-CG 4.16Å; I334-F416 HydrophobicContact CG2-CZ 3.77Å; I334-V418 HydrophobicContact CD1-CG2 3.86Å |
| 335 | V | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.2 | 162.4 | 176 | 0 | 0 | 0 | 0 | 108.5 | Y342 F343 A410 I411 A414 F417 V418 L518 | V335-Y342 HydrophobicContact CG1-CD1 4.24Å; V335-F343 CarbonylContact C-O 3.54Å; V335-F343 VanDerWaalsContact CA-O 3.32Å; V335-F343 WeakPolarHBondContact CA-O 3.23Å; V335-A410 HydrophobicContact CG2-CB 4.45Å; V335-I411 HydrophobicContact CB-CG1 4.35Å; V335-I411 HydrophobicContact CG1-CG1 4.03Å; V335-I411 HydrophobicContact CG2-CG1 4.09Å; V335-A414 HydrophobicContact CB-CB 4.49Å; V335-A414 HydrophobicContact CG2-CB 4.15Å; V335-F417 HydrophobicContact CB-CD2 4.02Å; V335-F417 HydrophobicContact CB-CE2 4.02Å; V335-F417 HydrophobicContact CG1-CD2 4.18Å; V335-F417 HydrophobicContact CG1-CE2 3.65Å; V335-F417 HydrophobicContact CG1-CZ 4.45Å; V335-V418 PolarHBondContact O-N 2.95Å; V335-L518 HydrophobicContact CG1-CD1 4.23Å; V335-L518 HydrophobicContact CG2-CD1 4.46Å |
| 336 | V | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.1 | 179 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | I334 Y342 F343 V345 M363 I366 V418 L420 | I334-V336 HydrophobicContact CD1-CG2 3.89Å; I334-V336 HydrophobicContact CG1-CG2 4.2Å; V336-Y342 CarbonylContact O-C 3.56Å; V336-Y342 WeakPolarHBondContact O-CA 3.33Å; V336-F343 PolarHBondContact N-O 3Å; V336-F343 PolarHBondContact O-N 2.83Å; V336-V345 HydrophobicContact CB-CG2 4.47Å; V336-V345 HydrophobicContact CG2-CB 4.41Å; V336-V345 HydrophobicContact CG2-CG2 3.68Å; V336-M363 HydrophobicContact CG1-SD 4.31Å; V336-M363 HydrophobicContact CG2-CE 3.98Å; V336-M363 HydrophobicContact CG2-SD 4.04Å; V336-I366 HydrophobicContact CB-CD1 3.84Å; V336-I366 HydrophobicContact CG1-CD1 3.91Å; V336-I366 HydrophobicContact CG1-CG2 4.38Å; V336-I366 HydrophobicContact CG2-CD1 4.07Å; V336-V418 CarbonylContact C-O 3.54Å; V336-V418 VanDerWaalsContact CA-O 3.3Å; V336-V418 WeakPolarHBondContact CA-O 3.27Å; V336-V418 HydrophobicContact CG1-CB 4.43Å; V336-V418 HydrophobicContact CG1-CG1 4.35Å; V336-V418 HydrophobicContact CG2-CB 4.16Å; V336-L420 HydrophobicContact CG1-CD1 3.83Å; V336-L420 HydrophobicContact CG1-CG 3.77Å |
| 337 | Y | 98.8 | Very high | 95.4 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 3% | 0.031 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.7 | 170.8 | 171.4 | -88.7 | 0 | 0 | 0 | 110.3 | G340 R341 Y342 V418 T419 L420 D450 | Y337-G340 VanDerWaalsContact CE2-CA 3.44Å; Y337-G340 VanDerWaalsContact CZ-N 3.29Å; Y337-G340 WeakPolarHBondContact OH-CA 3.38Å; Y337-G340 PolarHBondContact OH-N 3.06Å; Y337-G340 VanDerWaalsContact OH-N 3.11Å; Y337-R341 VanDerWaalsContact CA-O 3.3Å; Y337-R341 WeakPolarHBondContact CA-O 3.5Å; Y337-Y342 HydrophobicContact CD2-CD1 4.23Å; Y337-Y342 AromaticContact CD2-CE1 3.81Å; Y337-Y342 HydrophobicContact CD2-CE1 3.81Å; Y337-Y342 HydrophobicContact CD2-CE2 4.14Å; Y337-Y342 AromaticContact CD2-CZ 3.74Å; Y337-Y342 HydrophobicContact CE2-CE2 4.41Å; Y337-V418 PolarHBondContact N-O 2.91Å; Y337-T419 HydrophobicContact CD1-CG2 3.78Å; Y337-T419 HydrophobicContact CE1-CG2 4.42Å; Y337-L420 PolarHBondContact O-N 2.75Å; Y337-D450 HydrophobicContact CD1-CB 4.27Å; Y337-D450 HydrophobicContact CE1-CB 3.47Å; Y337-D450 VanDerWaalsContact CE1-CB 3.47Å |
| 338 | H | 98.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 36 Ų | 36 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 126.6 | 169.5 | -176.4 | 56.5 | 0 | 0 | 0 | 110.8 | G340 R341 I366 L420 | H338-G340 PolarHBondContact O-N 2.79Å; H338-R341 PolarHBondContact N-O 2.82Å; H338-R341 WeakPolarHBondContact O-CB 3.32Å; H338-R341 PolarHBondContact O-N 3.24Å; H338-R341 VanDerWaalsContact O-N 3.1Å; H338-R341 PolarHBondContact O-NE 2.85Å; H338-I366 HydrophobicContact CB-CG2 3.7Å; H338-L420 HydrophobicContact CB-CB 4.25Å; H338-L420 PolarHBondContact ND1-O 3.03Å |
| 339 | K | 96.8 | Very high | 95 | Very high | 108 Ų | 108 | 35.8 Ų | 35.8 | 47% | 0.47 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.3 | 54.9 | 178.1 | -70.6 | -177.6 | 173.3 | -178.4 | 0 | 113.6 | R341 D422 | K339-R341 VanDerWaalsContact C-N 3.33Å; K339-R341 PolarHBondContact O-N 2.98Å; K339-D422 VanDerWaalsContact CE-OD2 3.32Å; K339-D422 WeakPolarHBondContact CE-OD2 3.34Å; K339-D422 HydrophobicContact CG-CB 4.29Å |
| 340 | G | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 8.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y337 H338 P373 E377 Q378 | Y337-G340 VanDerWaalsContact CE2-CA 3.44Å; Y337-G340 VanDerWaalsContact CZ-N 3.29Å; Y337-G340 WeakPolarHBondContact OH-CA 3.38Å; Y337-G340 PolarHBondContact OH-N 3.06Å; Y337-G340 VanDerWaalsContact OH-N 3.11Å; H338-G340 PolarHBondContact O-N 2.79Å; G340-P373 WeakPolarHBondContact O-CB 2.96Å; G340-E377 CarbonylContact O-C 3.58Å; G340-E377 WeakPolarHBondContact O-CG 3.41Å; G340-Q378 WeakPolarHBondContact O-CA 3.49Å |
| 341 | R | 98.1 | Very high | 95.3 | Very high | 11 Ų | 11 | 29.5 Ų | 29.5 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 145.8 | -172.9 | -61.1 | 162.8 | -61.2 | 164.8 | 3.4 | 111.2 | Y337 H338 K339 F343 D369 S371 P373 E377 | Y337-R341 VanDerWaalsContact CA-O 3.3Å; Y337-R341 WeakPolarHBondContact CA-O 3.5Å; H338-R341 PolarHBondContact N-O 2.82Å; H338-R341 WeakPolarHBondContact O-CB 3.32Å; H338-R341 PolarHBondContact O-N 3.24Å; H338-R341 VanDerWaalsContact O-N 3.1Å; H338-R341 PolarHBondContact O-NE 2.85Å; K339-R341 VanDerWaalsContact C-N 3.33Å; K339-R341 PolarHBondContact O-N 2.98Å; R341-F343 HydrophobicContact CB-CD2 4.48Å; R341-F343 HydrophobicContact CB-CE2 3.58Å; R341-F343 HydrophobicContact CB-CZ 3.99Å; R341-D369 PolarHBondContact NH1-O 2.94Å; R341-D369 IonicContact NH1-OD1 2.97Å; R341-D369 PolarHBondContact NH1-OD1 3.05Å; R341-D369 PolarHBondContact NH2-O 3.38Å; R341-S371 WeakPolarHBondContact CD-O 3.45Å; R341-S371 PolarHBondContact NH1-O 3.46Å; R341-P373 HydrophobicContact CG-CB 3.99Å; R341-E377 WeakPolarHBondContact CA-OE1 3.35Å |
| 342 | Y | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 133.3 | -177.3 | -57.7 | -101 | 0 | 0 | 0 | 111.4 | V335 V336 Y337 E377 L380 A381 I411 F417 W452 K517 L518 W520 | V335-Y342 HydrophobicContact CG1-CD1 4.24Å; V336-Y342 CarbonylContact O-C 3.56Å; V336-Y342 WeakPolarHBondContact O-CA 3.33Å; Y337-Y342 HydrophobicContact CD2-CD1 4.23Å; Y337-Y342 AromaticContact CD2-CE1 3.81Å; Y337-Y342 HydrophobicContact CD2-CE1 3.81Å; Y337-Y342 HydrophobicContact CD2-CE2 4.14Å; Y337-Y342 AromaticContact CD2-CZ 3.74Å; Y337-Y342 HydrophobicContact CE2-CE2 4.41Å; Y342-E377 HydrophobicContact CD2-CG 3.84Å; Y342-E377 HydrophobicContact CE2-CG 3.95Å; Y342-E377 PolarHBondContact N-OE1 2.79Å; Y342-L380 HydrophobicContact CE2-CB 4.31Å; Y342-L380 HydrophobicContact CE2-CD2 4.26Å; Y342-A381 WeakPolarHBondContact OH-CB 3.4Å; Y342-A381 PolarHBondContact OH-N 3.1Å; Y342-I411 HydrophobicContact CD1-CD1 3.93Å; Y342-I411 HydrophobicContact CE1-CD1 4.22Å; Y342-F417 HydrophobicContact CD1-CE2 4.07Å; Y342-F417 AromaticContact CD1-CZ 3.86Å; Y342-F417 HydrophobicContact CD1-CZ 3.86Å; Y342-F417 HydrophobicContact CE1-CE2 4.23Å; Y342-F417 AromaticContact CE1-CZ 3.76Å; Y342-F417 HydrophobicContact CE1-CZ 3.76Å; Y342-W452 HydrophobicContact CE1-CE3 4.21Å; Y342-W452 HydrophobicContact CE1-CZ3 4.32Å; Y342-K517 WeakPolarHBondContact O-CA 3.47Å; Y342-L518 PolarHBondContact O-N 2.68Å; Y342-W520 HydrophobicContact CD2-CZ2 4.39Å; Y342-W520 AromaticContact CD2-NE1 3.92Å |
| 343 | F | 98.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.013 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.6 | -178.1 | -59.3 | -96 | 0 | 0 | 0 | 110.6 | V335 V336 R341 I366 D369 P515 T516 K517 | V335-F343 CarbonylContact C-O 3.54Å; V335-F343 VanDerWaalsContact CA-O 3.32Å; V335-F343 WeakPolarHBondContact CA-O 3.23Å; V336-F343 PolarHBondContact N-O 3Å; V336-F343 PolarHBondContact O-N 2.83Å; R341-F343 HydrophobicContact CB-CD2 4.48Å; R341-F343 HydrophobicContact CB-CE2 3.58Å; R341-F343 HydrophobicContact CB-CZ 3.99Å; F343-I366 HydrophobicContact CB-CD1 3.85Å; F343-I366 HydrophobicContact CB-CG1 4.15Å; F343-I366 HydrophobicContact CD1-CG1 4.22Å; F343-I366 HydrophobicContact CD2-CD1 4.45Å; F343-I366 HydrophobicContact CD2-CG1 4.19Å; F343-I366 HydrophobicContact CD2-CG2 3.65Å; F343-I366 HydrophobicContact CE2-CG2 3.72Å; F343-I366 HydrophobicContact CG-CD1 4.16Å; F343-I366 HydrophobicContact CG-CG1 3.94Å; F343-I366 HydrophobicContact CG-CG2 4.27Å; F343-I366 HydrophobicContact CZ-CG2 4.37Å; F343-D369 HydrophobicContact CZ-CB 4.25Å; F343-P515 HydrophobicContact CB-CB 4.23Å; F343-P515 HydrophobicContact CD1-CB 4.3Å; F343-T516 CarbonylContact C-O 3.35Å; F343-T516 WeakPolarHBondContact CA-O 3.23Å; F343-K517 HydrophobicContact CD1-CB 3.96Å; F343-K517 HydrophobicContact CD1-CG 4.44Å; F343-K517 HydrophobicContact CE1-CB 3.84Å; F343-K517 HydrophobicContact CE1-CD 4.46Å; F343-K517 HydrophobicContact CE1-CG 4.08Å; F343-K517 HydrophobicContact CZ-CG 4.47Å |
| 344 | K | 98.6 | Very high | 95 | Very high | 49 Ų | 49 | 29.6 Ų | 29.6 | 21% | 0.213 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 123.6 | 167.6 | -178.6 | 176.1 | -179.8 | -179.5 | 0 | 109.3 | H333 A410 T516 L518 | H333-K344 HydrophobicContact CB-CG 4.07Å; K344-A410 HydrophobicContact CD-CB 4.43Å; K344-T516 PolarHBondContact N-O 3.26Å; K344-T516 PolarHBondContact O-N 2.7Å; K344-L518 HydrophobicContact CB-CD2 3.93Å |
| 345 | V | 98.6 | Very high | 95 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 117.7 | 178.3 | -176.6 | 0 | 0 | 0 | 0 | 109.6 | H333 I334 V336 Q362 M363 I366 P515 | H333-V345 CarbonylContact C-O 3.6Å; H333-V345 WeakPolarHBondContact CA-O 3.26Å; H333-V345 VanDerWaalsContact CB-O 3.25Å; H333-V345 WeakPolarHBondContact CB-O 3.39Å; I334-V345 HydrophobicContact CD1-CB 4.43Å; I334-V345 HydrophobicContact CG1-CB 3.88Å; I334-V345 PolarHBondContact N-O 2.79Å; I334-V345 PolarHBondContact O-N 3.48Å; V336-V345 HydrophobicContact CB-CG2 4.47Å; V336-V345 HydrophobicContact CG2-CB 4.41Å; V336-V345 HydrophobicContact CG2-CG2 3.68Å; V345-Q362 HydrophobicContact CG1-CB 4.22Å; V345-Q362 HydrophobicContact CG1-CG 4.49Å; V345-M363 HydrophobicContact CG1-CE 4.11Å; V345-M363 HydrophobicContact CG2-CE 4.08Å; V345-I366 HydrophobicContact CG2-CD1 3.77Å; V345-P515 HydrophobicContact CG2-CB 4.08Å; V345-P515 HydrophobicContact CG2-CG 4.38Å |
| 346 | W | 96.7 | Very high | 94.9 | Very high | 97 Ų | 97 | 35.2 Ų | 35.2 | 37% | 0.367 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 139.2 | 173.7 | -68.4 | 105.3 | 0 | 0 | 0 | 110.8 | K332 H333 L354 | K332-W346 HydrophobicContact CB-CE3 4.01Å; K332-W346 HydrophobicContact CB-CZ3 3.8Å; H333-W346 HydrophobicContact CB-CD2 4.48Å; H333-W346 HydrophobicContact CB-CE3 4.11Å; W346-L354 WeakPolarHBondContact O-CD1 3.34Å |
| 347 | L | 94 | Very high | 94.9 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.01 | 17% | 0.169 | C | C | . | . | trans | -95.5 | -9.7 | -176.1 | -63.8 | 171.4 | 0 | 0 | 0 | 113.5 | I276 L280 K332 I334 L353 L354 A415 | I276-L347 HydrophobicContact CG2-CD2 4.42Å; L280-L347 HydrophobicContact CD1-CB 4.33Å; L280-L347 HydrophobicContact CD1-CD1 4.3Å; L280-L347 HydrophobicContact CD1-CD2 3.58Å; L280-L347 HydrophobicContact CD1-CG 4.26Å; L280-L347 HydrophobicContact CD2-CD1 3.53Å; L280-L347 HydrophobicContact CD2-CD2 4.33Å; L280-L347 HydrophobicContact CD2-CG 4.38Å; K332-L347 WeakPolarHBondContact O-CB 3.4Å; K332-L347 PolarHBondContact O-N 3.16Å; I334-L347 HydrophobicContact CD1-CD2 4.21Å; I334-L347 HydrophobicContact CG1-CD2 4.01Å; I334-L347 HydrophobicContact CG2-CD1 4.11Å; I334-L347 HydrophobicContact CG2-CD2 3.97Å; I334-L347 HydrophobicContact CG2-CG 4.37Å; L347-L353 WeakPolarHBondContact O-CD1 3.29Å; L347-L354 PolarHBondContact O-N 3.41Å; L347-A415 HydrophobicContact CD1-CB 4.21Å | ||
| 348 | Y | 91.3 | Very high | 94.8 | Very high | 91 Ų | 91 | 37.4 Ų | 37.4 | 36% | 0.357 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 141.8 | -172.6 | -60.6 | -93.9 | 0 | 0 | 0 | 110.8 | K332 R352 L353 | K332-Y348 HydrophobicContact CB-CD2 4.32Å; K332-Y348 HydrophobicContact CG-CD2 4.48Å; Y348-R352 CarbonylContact C-O 3.52Å; Y348-R352 WeakPolarHBondContact CA-O 3.12Å; Y348-R352 WeakPolarHBondContact CB-O 3.07Å; Y348-L353 HydrophobicContact CD1-CD1 4.3Å; Y348-L353 HydrophobicContact CE1-CB 4.46Å; Y348-L353 HydrophobicContact CE1-CD1 3.84Å |
| 349 | H | 88.1 | Confident | 94.8 | Very high | 30 Ų | 30 | 37.2 Ų | 37.2 | 14% | 0.139 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 139.5 | 172.5 | 179.1 | 65.6 | 0 | 0 | 0 | 107.9 | G351 R352 L354 N511 | H349-G351 PolarHBondContact O-N 3.32Å; H349-R352 PolarHBondContact N-O 3.02Å; H349-R352 WeakPolarHBondContact O-CG 3.34Å; H349-R352 PolarHBondContact O-N 3.05Å; H349-R352 VanDerWaalsContact O-O 3.11Å; H349-L354 HydrophobicContact CB-CD2 3.66Å; H349-N511 PolarHBondContact CE1-O 2.75Å |
| 350 | D | 85.4 | Confident | 94.9 | Very high | 74 Ų | 74 | 32.2 Ų | 32.2 | 40% | 0.396 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 38.6 | -176.4 | -62.8 | -19.1 | 0 | 0 | 0 | 114.7 | Q30 R352 | Q30-D350 PolarHBondContact NE2-OD1 3.28Å; D350-R352 PolarHBondContact O-N 3.24Å; D350-R352 VanDerWaalsContact O-N 3.1Å |
| 351 | G | 81.9 | Confident | 95 | Very high | 23 Ų | 23 | 33.4 Ų | 33.4 | 24% | 0.237 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.8 | -0.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | H37 H349 | H37-G351 PolarHBondContact CD2-O 3.48Å; H37-G351 PolarHBondContact NE2-O 2.85Å; H349-G351 PolarHBondContact O-N 3.32Å |
| 352 | R | 89.5 | Confident | 95 | Very high | 79 Ų | 79 | 32.9 Ų | 32.9 | 30% | 0.298 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 161.3 | 175.4 | 63.4 | 166.6 | -178.5 | 83.8 | -1.7 | 111.8 | Y348 H349 D350 E358 | Y348-R352 CarbonylContact C-O 3.52Å; Y348-R352 WeakPolarHBondContact CA-O 3.12Å; Y348-R352 WeakPolarHBondContact CB-O 3.07Å; H349-R352 PolarHBondContact N-O 3.02Å; H349-R352 WeakPolarHBondContact O-CG 3.34Å; H349-R352 PolarHBondContact O-N 3.05Å; H349-R352 VanDerWaalsContact O-O 3.11Å; D350-R352 PolarHBondContact O-N 3.24Å; D350-R352 VanDerWaalsContact O-N 3.1Å; R352-E358 IonicContact CZ-OE1 2.68Å; R352-E358 IonicContact CZ-OE2 3.22Å; R352-E358 IonicContact NH1-OE1 3.4Å; R352-E358 IonicContact NH1-OE2 3.47Å; R352-E358 PolarHBondContact NH1-OE2 2.75Å; R352-E358 VanDerWaalsContact NH2-CD 3.35Å; R352-E358 IonicContact NH2-OE1 3.69Å; R352-E358 PolarHBondContact NH2-OE1 3.07Å; R352-E358 IonicContact NH2-OE2 2.69Å; R352-E358 PolarHBondContact NH2-OE2 2.86Å |
| 353 | L | 93.1 | Very high | 95 | Very high | 33 Ų | 33 | 32.9 Ų | 32.9 | 17% | 0.173 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 143.4 | 167.5 | -165.1 | 69.2 | 0 | 0 | 0 | 109.1 | L280 L281 L347 Y348 | L280-L353 HydrophobicContact CB-CD1 3.89Å; L280-L353 HydrophobicContact CB-CD2 3.71Å; L280-L353 HydrophobicContact CB-CG 4.38Å; L280-L353 HydrophobicContact CD1-CD1 3.73Å; L280-L353 HydrophobicContact CD1-CD2 4.46Å; L280-L353 HydrophobicContact CD1-CG 4.36Å; L280-L353 HydrophobicContact CG-CD1 4.25Å; L281-L353 HydrophobicContact CD2-CD2 4.48Å; L347-L353 WeakPolarHBondContact O-CD1 3.29Å; Y348-L353 HydrophobicContact CD1-CD1 4.3Å; Y348-L353 HydrophobicContact CE1-CB 4.46Å; Y348-L353 HydrophobicContact CE1-CD1 3.84Å |
| 354 | L | 95.6 | Very high | 95 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 138 | 167.7 | -68.3 | -178.2 | 0 | 0 | 0 | 110 | H277 W346 L347 H349 E358 I359 I512 | H277-L354 PolarHBondContact CE1-O 3.31Å; H277-L354 PolarHBondContact ND1-O 3.25Å; W346-L354 WeakPolarHBondContact O-CD1 3.34Å; L347-L354 PolarHBondContact O-N 3.41Å; H349-L354 HydrophobicContact CB-CD2 3.66Å; L354-E358 HydrophobicContact CB-CB 4.37Å; L354-E358 HydrophobicContact CD2-CB 4.33Å; L354-I359 HydrophobicContact CB-CD1 4.14Å; L354-I359 HydrophobicContact CB-CG1 3.58Å; L354-I359 HydrophobicContact CD1-CG1 4.31Å; L354-I512 HydrophobicContact CD2-CB 4.33Å; L354-I512 HydrophobicContact CD2-CG2 3.9Å |
| 355 | K | 96.8 | Very high | 94.9 | Very high | 103 Ų | 103 | 36.9 Ų | 36.9 | 45% | 0.448 | 17% | 0.166 | S | C | . | . | P | Polyproline II helix | trans | -73.8 | 158.6 | 175 | -67.1 | 173.9 | -177.5 | 179.9 | 0 | 109.9 | R357 E358 I359 | K355-R357 PolarHBondContact O-N 2.82Å; K355-E358 HydrophobicContact CB-CG 4.27Å; K355-E358 WeakPolarHBondContact CB-OE2 3.41Å; K355-E358 PolarHBondContact N-OE2 3.29Å; K355-E358 WeakPolarHBondContact O-CB 3.41Å; K355-E358 PolarHBondContact O-N 2.89Å; K355-I359 WeakPolarHBondContact O-CG1 3.48Å; K355-I359 PolarHBondContact O-N 3.22Å |
| 356 | P | 97.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -51.4 | -48.4 | 179.5 | -29.1 | 35.9 | 0 | 0 | 0 | 114.5 | N274 H277 E358 I359 E360 L496 C504 | N274-P356 WeakPolarHBondContact OD1-CB 3.24Å; N274-P356 WeakPolarHBondContact OD1-CG 3.3Å; H277-P356 HydrophobicContact CB-CB 4.48Å; H277-P356 HydrophobicContact CB-CG 3.92Å; P356-E358 VanDerWaalsContact C-N 3.28Å; P356-E358 PolarHBondContact O-N 3.12Å; P356-I359 PolarHBondContact O-N 2.68Å; P356-I359 VanDerWaalsContact O-N 3.1Å; P356-E360 WeakPolarHBondContact O-CB 3.44Å; P356-E360 PolarHBondContact O-N 2.85Å; P356-L496 HydrophobicContact CG-CD1 4.49Å; P356-L496 HydrophobicContact CG-CD2 4.46Å; P356-C504 HydrophobicContact CB-CB 3.78Å |
| 357 | R | 97.8 | Very high | 95 | Very high | 49 Ų | 49 | 33.9 Ų | 33.9 | 19% | 0.185 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.6 | -31.8 | 177.7 | -171.4 | 59.4 | 161.4 | 164.1 | -3.8 | 114 | K355 E360 Q361 H503 C504 G506 T508 | K355-R357 PolarHBondContact O-N 2.82Å; R357-E360 WeakPolarHBondContact CD-OE2 3.42Å; R357-E360 IonicContact CZ-OE2 2.74Å; R357-E360 IonicContact NE-OE2 2.79Å; R357-E360 IonicContact NH1-OE1 2.9Å; R357-E360 PolarHBondContact NH1-OE1 2.74Å; R357-E360 IonicContact NH1-OE2 3.38Å; R357-E360 PolarHBondContact NH1-OE2 3.23Å; R357-Q361 WeakPolarHBondContact O-CB 3.48Å; R357-Q361 PolarHBondContact O-N 3.13Å; R357-H503 PolarHBondContact NH1-ND1 2.8Å; R357-C504 HydrophobicContact CB-CB 4.24Å; R357-C504 WeakPolarHBondContact CD-O 3.34Å; R357-G506 WeakPolarHBondContact CG-O 3.47Å; R357-T508 HydrophobicContact CG-CG2 4Å |
| 358 | E | 97.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.019 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -74.3 | -37.3 | 175 | -63.2 | 174.1 | 134.9 | 0 | 0 | 111.4 | R352 L354 K355 P356 Q361 Q362 N509 I512 | R352-E358 IonicContact CZ-OE1 2.68Å; R352-E358 IonicContact CZ-OE2 3.22Å; R352-E358 IonicContact NH1-OE1 3.4Å; R352-E358 IonicContact NH1-OE2 3.47Å; R352-E358 PolarHBondContact NH1-OE2 2.75Å; R352-E358 VanDerWaalsContact NH2-CD 3.35Å; R352-E358 IonicContact NH2-OE1 3.69Å; R352-E358 PolarHBondContact NH2-OE1 3.07Å; R352-E358 IonicContact NH2-OE2 2.69Å; R352-E358 PolarHBondContact NH2-OE2 2.86Å; L354-E358 HydrophobicContact CB-CB 4.37Å; L354-E358 HydrophobicContact CD2-CB 4.33Å; K355-E358 HydrophobicContact CB-CG 4.27Å; K355-E358 WeakPolarHBondContact CB-OE2 3.41Å; K355-E358 PolarHBondContact N-OE2 3.29Å; K355-E358 WeakPolarHBondContact O-CB 3.41Å; K355-E358 PolarHBondContact O-N 2.89Å; P356-E358 VanDerWaalsContact C-N 3.28Å; P356-E358 PolarHBondContact O-N 3.12Å; E358-Q361 WeakPolarHBondContact O-CB 3.35Å; E358-Q361 PolarHBondContact O-N 3.16Å; E358-Q362 VanDerWaalsContact O-CG 3.24Å; E358-Q362 WeakPolarHBondContact O-CG 3.45Å; E358-Q362 PolarHBondContact O-N 2.88Å; E358-N509 HydrophobicContact CG-CB 4.03Å; E358-N509 WeakPolarHBondContact OE1-CB 3.34Å; E358-N509 PolarHBondContact OE1-ND2 2.75Å; E358-I512 HydrophobicContact CB-CD1 3.93Å; E358-I512 HydrophobicContact CG-CG2 4.42Å |
| 359 | I | 98.5 | Very high | 95.5 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68.3 | -43.7 | 175.3 | -60.4 | 170.3 | 0 | 0 | 0 | 109.7 | I276 H277 L280 L354 K355 P356 Q361 Q362 M363 | I276-I359 HydrophobicContact CB-CG2 4.06Å; I276-I359 HydrophobicContact CD1-CG2 4.04Å; I276-I359 HydrophobicContact CG2-CD1 4.1Å; I276-I359 HydrophobicContact CG2-CG2 3.92Å; H277-I359 HydrophobicContact CB-CD1 3.95Å; L280-I359 HydrophobicContact CD1-CD1 4.42Å; L354-I359 HydrophobicContact CB-CD1 4.14Å; L354-I359 HydrophobicContact CB-CG1 3.58Å; L354-I359 HydrophobicContact CD1-CG1 4.31Å; K355-I359 WeakPolarHBondContact O-CG1 3.48Å; K355-I359 PolarHBondContact O-N 3.22Å; P356-I359 PolarHBondContact O-N 2.68Å; P356-I359 VanDerWaalsContact O-N 3.1Å; I359-Q361 VanDerWaalsContact C-N 3.31Å; I359-Q361 PolarHBondContact O-N 3.45Å; I359-Q362 WeakPolarHBondContact O-CA 3.48Å; I359-Q362 WeakPolarHBondContact O-CB 3.21Å; I359-Q362 PolarHBondContact O-N 3.5Å; I359-M363 HydrophobicContact CG2-CE 4.46Å; I359-M363 HydrophobicContact CG2-CG 4.45Å; I359-M363 WeakPolarHBondContact O-CG 3.42Å; I359-M363 PolarHBondContact O-N 3.35Å |
| 360 | E | 98.6 | Very high | 95.9 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.4 | -48.4 | 172.1 | 169.9 | 176.9 | -162.7 | 0 | 0 | 111.3 | A269 A270 P356 R357 Q362 M363 Q364 H503 C504 | A269-E360 HydrophobicContact CB-CG 4.07Å; A270-E360 VanDerWaalsContact CA-CD 3.48Å; A270-E360 WeakPolarHBondContact CA-OE1 3.22Å; A270-E360 HydrophobicContact CB-CG 4.44Å; A270-E360 VanDerWaalsContact CB-OE1 3.23Å; A270-E360 WeakPolarHBondContact CB-OE1 3.36Å; P356-E360 WeakPolarHBondContact O-CB 3.44Å; P356-E360 PolarHBondContact O-N 2.85Å; R357-E360 WeakPolarHBondContact CD-OE2 3.42Å; R357-E360 IonicContact CZ-OE2 2.74Å; R357-E360 IonicContact NE-OE2 2.79Å; R357-E360 IonicContact NH1-OE1 2.9Å; R357-E360 PolarHBondContact NH1-OE1 2.74Å; R357-E360 IonicContact NH1-OE2 3.38Å; R357-E360 PolarHBondContact NH1-OE2 3.23Å; E360-Q362 PolarHBondContact O-N 2.79Å; E360-M363 PolarHBondContact O-N 3.02Å; E360-Q364 PolarHBondContact O-N 3.22Å; E360-H503 IonicContact OE1-CE1 3.22Å; E360-H503 IonicContact OE1-CG 3.54Å; E360-H503 IonicContact OE1-ND1 3.93Å; E360-H503 PolarHBondContact OE1-ND1 2.81Å; E360-C504 VanDerWaalsContact OE2-CB 3.25Å; E360-C504 WeakPolarHBondContact OE2-CB 3.41Å; E360-C504 PolarHBondContact OE2-N 3.3Å |
| 361 | Q | 98.3 | Very high | 96.4 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.5 | -38.6 | 176 | -177.6 | -179.9 | 8.6 | 0 | 0 | 112.1 | R357 E358 I359 R365 N509 | R357-Q361 WeakPolarHBondContact O-CB 3.48Å; R357-Q361 PolarHBondContact O-N 3.13Å; E358-Q361 WeakPolarHBondContact O-CB 3.35Å; E358-Q361 PolarHBondContact O-N 3.16Å; I359-Q361 VanDerWaalsContact C-N 3.31Å; I359-Q361 PolarHBondContact O-N 3.45Å; Q361-R365 VanDerWaalsContact NE2-NH2 3.19Å; Q361-R365 VanDerWaalsContact O-CG 3.27Å; Q361-R365 WeakPolarHBondContact O-CG 3.24Å; Q361-R365 PolarHBondContact O-N 3.34Å; Q361-N509 VanDerWaalsContact OE1-N 3.15Å; Q361-N509 PolarHBondContact OE1-O 3.28Å |
| 362 | Q | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.7 | -38.8 | 176.7 | -63.2 | -75.3 | 93.5 | 0 | 0 | 112.4 | V345 E358 I359 E360 I366 I512 P513 P515 | V345-Q362 HydrophobicContact CG1-CB 4.22Å; V345-Q362 HydrophobicContact CG1-CG 4.49Å; E358-Q362 VanDerWaalsContact O-CG 3.24Å; E358-Q362 WeakPolarHBondContact O-CG 3.45Å; E358-Q362 PolarHBondContact O-N 2.88Å; I359-Q362 WeakPolarHBondContact O-CA 3.48Å; I359-Q362 WeakPolarHBondContact O-CB 3.21Å; I359-Q362 PolarHBondContact O-N 3.5Å; E360-Q362 PolarHBondContact O-N 2.79Å; Q362-I366 WeakPolarHBondContact O-CG1 3.48Å; Q362-I366 PolarHBondContact O-N 3.41Å; Q362-I512 HydrophobicContact CG-CD1 3.87Å; Q362-P513 PolarHBondContact NE2-O 2.9Å; Q362-P513 PolarHBondContact OE1-O 3.1Å; Q362-P515 HydrophobicContact CB-CG 4.21Å |
| 363 | M | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.9 | -41.5 | 176.3 | -59.8 | -54.7 | 95 | 0 | 0 | 110.5 | A269 A272 I276 V336 V345 I359 E360 R365 I366 L367 L420 | A269-M363 HydrophobicContact CB-CB 4.05Å; A272-M363 HydrophobicContact CB-CB 4.37Å; A272-M363 HydrophobicContact CB-CG 3.75Å; A272-M363 HydrophobicContact CB-SD 4.46Å; I276-M363 HydrophobicContact CD1-CG 4.43Å; I276-M363 HydrophobicContact CD1-SD 3.86Å; V336-M363 HydrophobicContact CG1-SD 4.31Å; V336-M363 HydrophobicContact CG2-CE 3.98Å; V336-M363 HydrophobicContact CG2-SD 4.04Å; V345-M363 HydrophobicContact CG1-CE 4.11Å; V345-M363 HydrophobicContact CG2-CE 4.08Å; I359-M363 HydrophobicContact CG2-CE 4.46Å; I359-M363 HydrophobicContact CG2-CG 4.45Å; I359-M363 WeakPolarHBondContact O-CG 3.42Å; I359-M363 PolarHBondContact O-N 3.35Å; E360-M363 PolarHBondContact O-N 3.02Å; M363-R365 PolarHBondContact O-N 3.49Å; M363-I366 HydrophobicContact CE-CD1 4.04Å; M363-I366 WeakPolarHBondContact O-CB 3.37Å; M363-I366 PolarHBondContact O-N 2.96Å; M363-L367 WeakPolarHBondContact O-CG 3.01Å; M363-L367 PolarHBondContact O-N 3.1Å; M363-L420 HydrophobicContact CB-CD1 4.1Å; M363-L420 HydrophobicContact SD-CD1 4.13Å; M363-L420 HydrophobicContact SD-CD2 4.46Å |
| 364 | Q | 98.5 | Very high | 97.7 | Very high | 71 Ų | 71 | 43.3 Ų | 43.3 | 33% | 0.332 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 176 | -167.6 | 60.4 | 52.6 | 0 | 0 | 111.4 | A269 E360 I366 L367 D368 | A269-Q364 HydrophobicContact CB-CB 4.06Å; E360-Q364 PolarHBondContact O-N 3.22Å; Q364-I366 PolarHBondContact O-N 2.86Å; Q364-L367 PolarHBondContact O-N 2.71Å; Q364-L367 VanDerWaalsContact O-N 3.11Å; Q364-D368 WeakPolarHBondContact CG-OD2 2.92Å; Q364-D368 PolarHBondContact NE2-OD1 3.16Å; Q364-D368 PolarHBondContact NE2-OD2 3.38Å; Q364-D368 WeakPolarHBondContact O-CB 3.28Å; Q364-D368 PolarHBondContact O-N 3.29Å |
| 365 | R | 98.3 | Very high | 97.7 | Very high | 64 Ų | 64 | 46.4 Ų | 46.4 | 24% | 0.242 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.7 | -33.8 | 172.4 | -75.2 | 168 | 176.6 | 176.7 | -5.9 | 113.1 | Q361 M363 D369 P515 | Q361-R365 VanDerWaalsContact NE2-NH2 3.19Å; Q361-R365 VanDerWaalsContact O-CG 3.27Å; Q361-R365 WeakPolarHBondContact O-CG 3.24Å; Q361-R365 PolarHBondContact O-N 3.34Å; M363-R365 PolarHBondContact O-N 3.49Å; R365-D369 PolarHBondContact O-N 3.02Å; R365-P515 HydrophobicContact CB-CG 4.36Å |
| 366 | I | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -76.9 | -40.1 | 177.2 | -67.7 | 166.3 | 0 | 0 | 0 | 111.3 | V336 H338 F343 V345 Q362 M363 Q364 D368 D369 L420 P515 | V336-I366 HydrophobicContact CB-CD1 3.84Å; V336-I366 HydrophobicContact CG1-CD1 3.91Å; V336-I366 HydrophobicContact CG1-CG2 4.38Å; V336-I366 HydrophobicContact CG2-CD1 4.07Å; H338-I366 HydrophobicContact CB-CG2 3.7Å; F343-I366 HydrophobicContact CB-CD1 3.85Å; F343-I366 HydrophobicContact CB-CG1 4.15Å; F343-I366 HydrophobicContact CD1-CG1 4.22Å; F343-I366 HydrophobicContact CD2-CD1 4.45Å; F343-I366 HydrophobicContact CD2-CG1 4.19Å; F343-I366 HydrophobicContact CD2-CG2 3.65Å; F343-I366 HydrophobicContact CE2-CG2 3.72Å; F343-I366 HydrophobicContact CG-CD1 4.16Å; F343-I366 HydrophobicContact CG-CG1 3.94Å; F343-I366 HydrophobicContact CG-CG2 4.27Å; F343-I366 HydrophobicContact CZ-CG2 4.37Å; V345-I366 HydrophobicContact CG2-CD1 3.77Å; Q362-I366 WeakPolarHBondContact O-CG1 3.48Å; Q362-I366 PolarHBondContact O-N 3.41Å; M363-I366 HydrophobicContact CE-CD1 4.04Å; M363-I366 WeakPolarHBondContact O-CB 3.37Å; M363-I366 PolarHBondContact O-N 2.96Å; Q364-I366 PolarHBondContact O-N 2.86Å; I366-D368 VanDerWaalsContact C-N 3.32Å; I366-D369 WeakPolarHBondContact O-CB 3.28Å; I366-D369 PolarHBondContact O-N 2.97Å; I366-L420 HydrophobicContact CB-CD1 4.46Å; I366-L420 HydrophobicContact CG2-CD1 4.21Å; I366-P515 HydrophobicContact CD1-CB 3.97Å; I366-P515 HydrophobicContact CD1-CG 4.05Å; I366-P515 HydrophobicContact CG1-CB 3.83Å; I366-P515 HydrophobicContact CG1-CG 3.85Å |
| 367 | L | 98.7 | Very high | 97.7 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 18% | 0.183 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.8 | -38.3 | 176.5 | -67.2 | 174.8 | 0 | 0 | 0 | 111.8 | Q268 A269 M363 Q364 D369 L420 | Q268-L367 HydrophobicContact CB-CD1 4.37Å; Q268-L367 HydrophobicContact CG-CD1 4.39Å; Q268-L367 VanDerWaalsContact OE1-CD2 3.28Å; A269-L367 HydrophobicContact CB-CD1 3.98Å; M363-L367 WeakPolarHBondContact O-CG 3.01Å; M363-L367 PolarHBondContact O-N 3.1Å; Q364-L367 PolarHBondContact O-N 2.71Å; Q364-L367 VanDerWaalsContact O-N 3.11Å; L367-D369 VanDerWaalsContact C-N 3.32Å; L367-L420 HydrophobicContact CD2-CB 4Å; L367-L420 HydrophobicContact CD2-CD1 3.93Å; L367-L420 HydrophobicContact CG-CD1 4.06Å |
| 368 | D | 98.1 | Very high | 97.7 | Very high | 109 Ų | 109 | 43.7 Ų | 43.7 | 58% | 0.583 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -80.9 | -11.4 | 179.8 | -62.3 | -20 | 0 | 0 | 0 | 113 | Q364 I366 A370 | Q364-D368 WeakPolarHBondContact CG-OD2 2.92Å; Q364-D368 PolarHBondContact NE2-OD1 3.16Å; Q364-D368 PolarHBondContact NE2-OD2 3.38Å; Q364-D368 WeakPolarHBondContact O-CB 3.28Å; Q364-D368 PolarHBondContact O-N 3.29Å; I366-D368 VanDerWaalsContact C-N 3.32Å; D368-A370 PolarHBondContact O-N 3.14Å |
| 369 | D | 97.5 | Very high | 97.7 | Very high | 52 Ų | 52 | 46.2 Ų | 46.2 | 28% | 0.278 | 26% | 0.258 | S | S | . | . | trans | -66 | 121.7 | 178.3 | -170.5 | -60 | 0 | 0 | 0 | 109.5 | R341 F343 R365 I366 L367 S371 | R341-D369 PolarHBondContact NH1-O 2.94Å; R341-D369 IonicContact NH1-OD1 2.97Å; R341-D369 PolarHBondContact NH1-OD1 3.05Å; R341-D369 PolarHBondContact NH2-O 3.38Å; F343-D369 HydrophobicContact CZ-CB 4.25Å; R365-D369 PolarHBondContact O-N 3.02Å; I366-D369 WeakPolarHBondContact O-CB 3.28Å; I366-D369 PolarHBondContact O-N 2.97Å; L367-D369 VanDerWaalsContact C-N 3.32Å; D369-S371 WeakPolarHBondContact OD1-CA 3.24Å; D369-S371 WeakPolarHBondContact OD1-CB 3.31Å; D369-S371 PolarHBondContact OD1-N 2.98Å; D369-S371 PolarHBondContact OD1-OG 3.03Å | ||
| 370 | A | 95.8 | Very high | 97.7 | Very high | 90 Ų | 90 | 46.1 Ų | 46.1 | 74% | 0.744 | 26% | 0.257 | S | S | * | . | trans | -102 | 9.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D368 | D368-A370 PolarHBondContact O-N 3.14Š| ||
| 371 | S | 96 | Very high | 97.7 | Very high | 43 Ų | 43 | 45.9 Ų | 45.9 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 142 | 178.1 | 68.6 | 0 | 0 | 0 | 0 | 111.5 | R341 D369 K517 | R341-S371 WeakPolarHBondContact CD-O 3.45Å; R341-S371 PolarHBondContact NH1-O 3.46Å; D369-S371 WeakPolarHBondContact OD1-CA 3.24Å; D369-S371 WeakPolarHBondContact OD1-CB 3.31Å; D369-S371 PolarHBondContact OD1-N 2.98Å; D369-S371 PolarHBondContact OD1-OG 3.03Å; S371-K517 PolarHBondContact OG-NZ 2.78Å |
| 372 | E | 96.2 | Very high | 97.7 | Very high | 153 Ų | 153 | 44.8 Ų | 44.8 | 72% | 0.715 | 25% | 0.251 | S | S | * | . | P | Polyproline II helix | trans | -75 | 150.6 | 175.9 | -66.2 | -57.6 | 137.8 | 0 | 0 | 112 | K517 | E372-K517 PolarHBondContact O-NZ 3.24Š|
| 373 | P | 97.1 | Very high | 97.7 | Very high | 32 Ų | 32 | 44.8 Ų | 44.8 | 21% | 0.208 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 147.1 | 169.6 | 28 | -33.7 | 0 | 0 | 0 | 111.1 | G340 R341 E377 Q378 | G340-P373 WeakPolarHBondContact O-CB 2.96Å; R341-P373 HydrophobicContact CG-CB 3.99Å; P373-E377 WeakPolarHBondContact CA-OE2 3.48Å; P373-E377 HydrophobicContact CB-CB 4.21Å; P373-Q378 HydrophobicContact CB-CB 4.14Å; P373-Q378 HydrophobicContact CG-CB 4.08Å |
| 374 | Q | 97.3 | Very high | 97.7 | Very high | 52 Ų | 52 | 44.8 Ų | 44.8 | 24% | 0.243 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 160.4 | 172.1 | -66.6 | 171.3 | 63.4 | 0 | 0 | 110.2 | G376 E377 L518 Q519 W520 | Q374-G376 PolarHBondContact O-N 3.08Å; Q374-E377 HydrophobicContact CB-CB 4.09Å; Q374-E377 PolarHBondContact N-OE2 3.11Å; Q374-E377 WeakPolarHBondContact O-CB 3.48Å; Q374-E377 PolarHBondContact O-N 2.8Å; Q374-L518 PolarHBondContact NE2-O 3.04Å; Q374-Q519 VanDerWaalsContact NE2-OE1 3.09Å; Q374-W520 PolarHBondContact OE1-O 2.87Å |
| 375 | A | 97.1 | Very high | 97.7 | Very high | 68 Ų | 68 | 41.4 Ų | 41.4 | 56% | 0.562 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 129.1 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | E377 | A375-E377 PolarHBondContact O-N 2.9Å; A375-E377 VanDerWaalsContact O-N 3.16Å |
| 376 | G | 96.5 | Very high | 97.6 | Very high | 17 Ų | 17 | 38.3 Ų | 38.3 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74 | -15 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q374 Q378 L380 | Q374-G376 PolarHBondContact O-N 3.08Å; G376-Q378 PolarHBondContact O-N 3.09Å; G376-L380 PolarHBondContact O-N 2.8Å |
| 377 | E | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -43.2 | -175.2 | -173.1 | -175.5 | -173 | 0 | 0 | 111.7 | G340 R341 Y342 P373 Q374 A375 K379 L380 W520 | G340-E377 CarbonylContact O-C 3.58Å; G340-E377 WeakPolarHBondContact O-CG 3.41Å; R341-E377 WeakPolarHBondContact CA-OE1 3.35Å; Y342-E377 HydrophobicContact CD2-CG 3.84Å; Y342-E377 HydrophobicContact CE2-CG 3.95Å; Y342-E377 PolarHBondContact N-OE1 2.79Å; P373-E377 WeakPolarHBondContact CA-OE2 3.48Å; P373-E377 HydrophobicContact CB-CB 4.21Å; Q374-E377 HydrophobicContact CB-CB 4.09Å; Q374-E377 PolarHBondContact N-OE2 3.11Å; Q374-E377 WeakPolarHBondContact O-CB 3.48Å; Q374-E377 PolarHBondContact O-N 2.8Å; A375-E377 PolarHBondContact O-N 2.9Å; A375-E377 VanDerWaalsContact O-N 3.16Å; E377-K379 PolarHBondContact O-N 3.03Å; E377-K379 VanDerWaalsContact O-N 3.13Å; E377-L380 WeakPolarHBondContact O-CB 3.35Å; E377-L380 PolarHBondContact O-N 3.45Å; E377-L380 VanDerWaalsContact O-N 3.07Å; E377-W520 VanDerWaalsContact CD-CD1 3.47Å; E377-W520 VanDerWaalsContact CG-CD1 3.48Å; E377-W520 HydrophobicContact CG-CG 4.39Å; E377-W520 PolarHBondContact OE1-NE1 3.32Å |
| 378 | Q | 97.6 | Very high | 97.5 | Very high | 94 Ų | 94 | 39.4 Ų | 39.4 | 44% | 0.439 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -40 | -172.5 | -177.3 | 179.7 | 11.6 | 0 | 0 | 113.3 | G340 P373 G376 Y449 | G340-Q378 WeakPolarHBondContact O-CA 3.49Å; P373-Q378 HydrophobicContact CB-CB 4.14Å; P373-Q378 HydrophobicContact CG-CB 4.08Å; G376-Q378 PolarHBondContact O-N 3.09Å; Q378-Y449 VanDerWaalsContact O-CD2 3.24Å; Q378-Y449 WeakPolarHBondContact O-CD2 3.35Å |
| 379 | K | 98.2 | Very high | 97.6 | Very high | 58 Ų | 58 | 36.1 Ų | 36.1 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 5.6 | -175.6 | -67.3 | 170.2 | 174.6 | -176.5 | 0 | 112.9 | E377 A381 A382 Y449 I530 E531 L534 | E377-K379 PolarHBondContact O-N 3.03Å; E377-K379 VanDerWaalsContact O-N 3.13Å; K379-A381 VanDerWaalsContact C-N 3.25Å; K379-A381 PolarHBondContact O-N 2.84Å; K379-A381 VanDerWaalsContact O-N 3.1Å; K379-A382 WeakPolarHBondContact O-CB 3.41Å; K379-A382 PolarHBondContact O-N 2.91Å; K379-Y449 HydrophobicContact CB-CG 4.48Å; K379-Y449 HydrophobicContact CG-CD1 4.3Å; K379-Y449 HydrophobicContact CG-CG 4.27Å; K379-I530 HydrophobicContact CB-CG2 3.6Å; K379-I530 VanDerWaalsContact O-CG2 3.24Å; K379-I530 WeakPolarHBondContact O-CG2 3.43Å; K379-E531 WeakPolarHBondContact CD-OE1 3.48Å; K379-E531 WeakPolarHBondContact CE-OE1 3.4Å; K379-E531 IonicContact NZ-OE1 2.84Å; K379-E531 PolarHBondContact NZ-OE1 3.12Å; K379-E531 IonicContact NZ-OE2 3.23Å; K379-E531 PolarHBondContact NZ-OE2 2.83Å; K379-L534 HydrophobicContact CD-CD2 3.65Å; K379-L534 HydrophobicContact CG-CD2 4.06Å |
| 380 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -40.8 | -170.8 | 174.3 | 61.6 | 0 | 0 | 0 | 113.4 | Y342 G376 E377 A382 L383 F399 W520 I522 I530 | Y342-L380 HydrophobicContact CE2-CB 4.31Å; Y342-L380 HydrophobicContact CE2-CD2 4.26Å; G376-L380 PolarHBondContact O-N 2.8Å; E377-L380 WeakPolarHBondContact O-CB 3.35Å; E377-L380 PolarHBondContact O-N 3.45Å; E377-L380 VanDerWaalsContact O-N 3.07Å; L380-A382 PolarHBondContact O-N 2.78Å; L380-A382 VanDerWaalsContact O-N 3.13Å; L380-L383 HydrophobicContact CD1-CD1 3.88Å; L380-L383 PolarHBondContact O-N 3.29Å; L380-F399 HydrophobicContact CD1-CE1 3.75Å; L380-F399 HydrophobicContact CD1-CE2 4.46Å; L380-F399 HydrophobicContact CD1-CZ 3.4Å; L380-F399 HydrophobicContact CD2-CE1 4.43Å; L380-W520 HydrophobicContact CD2-CD2 3.89Å; L380-W520 HydrophobicContact CD2-CE3 3.91Å; L380-W520 HydrophobicContact CD2-CH2 3.54Å; L380-W520 HydrophobicContact CD2-CZ2 3.5Å; L380-W520 VanDerWaalsContact CD2-CZ2 3.5Å; L380-W520 HydrophobicContact CD2-CZ3 3.76Å; L380-I522 HydrophobicContact CD1-CD1 4.1Å; L380-I522 HydrophobicContact CD2-CD1 4.36Å; L380-I530 HydrophobicContact CD1-CD1 4Å |
| 381 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -11.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y342 K379 L383 T384 A385 Y449 R451 W452 | Y342-A381 WeakPolarHBondContact OH-CB 3.4Å; Y342-A381 PolarHBondContact OH-N 3.1Å; K379-A381 VanDerWaalsContact C-N 3.25Å; K379-A381 PolarHBondContact O-N 2.84Å; K379-A381 VanDerWaalsContact O-N 3.1Å; A381-L383 PolarHBondContact O-N 3.48Å; A381-T384 WeakPolarHBondContact O-CB 3.31Å; A381-T384 PolarHBondContact O-N 2.95Å; A381-T384 PolarHBondContact O-OG1 3.33Å; A381-A385 PolarHBondContact O-N 2.9Å; A381-Y449 WeakPolarHBondContact CB-O 3.22Å; A381-R451 WeakPolarHBondContact CB-O 3.36Å; A381-W452 HydrophobicContact CB-CE3 3.93Å; A381-W452 HydrophobicContact CB-CZ3 4.21Å |
| 382 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.9 | -28.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | K379 L380 T384 A385 G386 C448 I530 S533 L534 | K379-A382 WeakPolarHBondContact O-CB 3.41Å; K379-A382 PolarHBondContact O-N 2.91Å; L380-A382 PolarHBondContact O-N 2.78Å; L380-A382 VanDerWaalsContact O-N 3.13Å; A382-T384 PolarHBondContact O-N 3.22Å; A382-A385 WeakPolarHBondContact O-CB 3.42Å; A382-A385 PolarHBondContact O-N 2.8Å; A382-G386 PolarHBondContact O-N 2.84Å; A382-C448 WeakPolarHBondContact CA-O 3.46Å; A382-I530 HydrophobicContact CB-CG2 4.39Å; A382-S533 WeakPolarHBondContact O-CB 3.22Å; A382-L534 HydrophobicContact CB-CB 3.75Å; A382-L534 HydrophobicContact CB-CD1 4.23Å |
| 383 | L | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.9 | -35 | 171.8 | -64.8 | 173.9 | 0 | 0 | 0 | 112.1 | L380 A381 A385 W391 A394 F399 V529 I530 | L380-L383 HydrophobicContact CD1-CD1 3.88Å; L380-L383 PolarHBondContact O-N 3.29Å; A381-L383 PolarHBondContact O-N 3.48Å; L383-A385 VanDerWaalsContact C-N 3.33Å; L383-W391 HydrophobicContact CB-CD2 3.77Å; L383-W391 HydrophobicContact CB-CE3 3.48Å; L383-W391 VanDerWaalsContact CB-CE3 3.48Å; L383-W391 HydrophobicContact CB-CG 4.27Å; L383-W391 HydrophobicContact CB-CZ3 3.96Å; L383-W391 HydrophobicContact CD1-CE3 3.73Å; L383-W391 HydrophobicContact CD1-CH2 4.43Å; L383-W391 HydrophobicContact CD1-CZ3 3.52Å; L383-W391 HydrophobicContact CD2-CE3 4.43Å; L383-W391 HydrophobicContact CG-CE3 4.07Å; L383-W391 HydrophobicContact CG-CZ3 4.32Å; L383-W391 VanDerWaalsContact O-CB 3.24Å; L383-W391 WeakPolarHBondContact O-CB 3.47Å; L383-W391 VanDerWaalsContact O-CG 3.22Å; L383-A394 HydrophobicContact CD1-CB 4.48Å; L383-A394 HydrophobicContact CD2-CB 4.26Å; L383-F399 HydrophobicContact CD1-CE2 3.99Å; L383-F399 HydrophobicContact CD1-CZ 4.2Å; L383-V529 HydrophobicContact CD2-CB 4.5Å; L383-V529 HydrophobicContact CD2-CG1 3.84Å; L383-I530 HydrophobicContact CD1-CD1 4.42Å; L383-I530 HydrophobicContact CD1-CG1 3.79Å; L383-I530 HydrophobicContact CD2-CG1 3.93Å; L383-I530 HydrophobicContact CG-CG1 3.74Å |
| 384 | T | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -79.2 | -19.5 | 177.6 | 73.1 | 0 | 0 | 0 | 0 | 113 | A381 A382 R388 W391 W452 F453 | A381-T384 WeakPolarHBondContact O-CB 3.31Å; A381-T384 PolarHBondContact O-N 2.95Å; A381-T384 PolarHBondContact O-OG1 3.33Å; A382-T384 PolarHBondContact O-N 3.22Å; T384-R388 PolarHBondContact O-NH1 2.83Å; T384-W391 HydrophobicContact CG2-CZ2 4.25Å; T384-W452 HydrophobicContact CG2-CD2 3.89Å; T384-W452 HydrophobicContact CG2-CE3 4.19Å; T384-W452 HydrophobicContact CG2-CG 4.46Å; T384-W452 HydrophobicContact CG2-CH2 4.07Å; T384-W452 HydrophobicContact CG2-CZ2 3.74Å; T384-W452 HydrophobicContact CG2-CZ3 4.28Å; T384-F453 WeakPolarHBondContact OG1-CD2 3.39Å; T384-F453 PolarHBondContact OG1-N 2.8Å |
| 385 | A | 98.1 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -87.3 | -36.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | P247 M249 A381 A382 L383 C448 F453 A537 | P247-A385 WeakPolarHBondContact CB-O 3.41Å; M249-A385 HydrophobicContact SD-CB 4Å; A381-A385 PolarHBondContact O-N 2.9Å; A382-A385 WeakPolarHBondContact O-CB 3.42Å; A382-A385 PolarHBondContact O-N 2.8Å; L383-A385 VanDerWaalsContact C-N 3.33Å; A385-C448 HydrophobicContact CB-CB 4.48Å; A385-C448 WeakPolarHBondContact CB-O 3.47Å; A385-F453 HydrophobicContact CB-CD2 3.57Å; A385-F453 HydrophobicContact CB-CE2 3.49Å; A385-F453 VanDerWaalsContact CB-CE2 3.49Å; A385-A537 HydrophobicContact CB-CB 3.71Å |
| 386 | G | 96.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -79.1 | -159.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | P247 A382 | P247-G386 WeakPolarHBondContact CA-O 3.3Å; A382-G386 PolarHBondContact O-N 2.84Å |
| 387 | D | 97.6 | Very high | 98.2 | Very high | 59 Ų | 59 | 32.1 Ų | 32.1 | 32% | 0.316 | 17% | 0.166 | S | C | . | . | trans | -63.4 | 147.1 | -178.8 | -70.1 | -37.6 | 0 | 0 | 0 | 112.9 | P247 V389 P390 W391 | P247-D387 VanDerWaalsContact CD-OD1 3.22Å; P247-D387 WeakPolarHBondContact CD-OD1 3.49Å; D387-V389 PolarHBondContact O-N 3.03Å; D387-P390 HydrophobicContact CB-CG 3.96Å; D387-P390 WeakPolarHBondContact O-CD 3.38Å; D387-W391 PolarHBondContact O-N 2.86Å | ||
| 388 | R | 98.3 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -71.6 | -35.4 | -172.2 | -52 | -49.8 | -64 | 173.4 | -2.3 | 113.2 | R245 G246 D323 T384 W391 A392 D454 | R245-R388 WeakPolarHBondContact O-CG 3.31Å; R245-R388 PolarHBondContact O-N 2.76Å; G246-R388 WeakPolarHBondContact O-CG 3.48Å; D323-R388 IonicContact OD2-CZ 2.71Å; D323-R388 IonicContact OD2-NE 2.85Å; D323-R388 PolarHBondContact OD2-NE 3.32Å; D323-R388 IonicContact OD2-NH2 3.99Å; D323-R388 PolarHBondContact OD2-NH2 3.43Å; T384-R388 PolarHBondContact O-NH1 2.83Å; R388-W391 PolarHBondContact O-N 2.98Å; R388-A392 WeakPolarHBondContact O-CB 3.46Å; R388-A392 PolarHBondContact O-N 3.07Å; R388-D454 IonicContact CZ-OD1 2.64Å; R388-D454 IonicContact NH1-OD1 3.73Å; R388-D454 PolarHBondContact NH1-OD1 3.08Å; R388-D454 IonicContact NH2-OD1 3.37Å; R388-D454 PolarHBondContact NH2-OD1 2.93Å; R388-D454 IonicContact NH2-OD2 2.67Å |
| 389 | V | 98.4 | Very high | 98.3 | Very high | 40 Ų | 40 | 31.1 Ų | 31.1 | 24% | 0.242 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.8 | -48.3 | -176.4 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | R245 E320 D387 W391 A392 K393 | R245-V389 HydrophobicContact CB-CG2 4.49Å; R245-V389 HydrophobicContact CG-CG2 4.49Å; E320-V389 WeakPolarHBondContact O-CG2 3.26Å; D387-V389 PolarHBondContact O-N 3.03Å; V389-W391 PolarHBondContact O-N 2.89Å; V389-A392 PolarHBondContact O-N 3.4Å; V389-K393 HydrophobicContact CG1-CD 4.28Å; V389-K393 WeakPolarHBondContact O-CG 3.29Å; V389-K393 PolarHBondContact O-N 3.21Å |
| 390 | P | 98.3 | Very high | 98.2 | Very high | 47 Ų | 47 | 31 Ų | 31 | 31% | 0.305 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -55 | -41.4 | 171.5 | -27.7 | 37 | 0 | 0 | 0 | 112.5 | D387 K393 A394 V529 | D387-P390 HydrophobicContact CB-CG 3.96Å; D387-P390 WeakPolarHBondContact O-CD 3.38Å; P390-K393 PolarHBondContact O-N 3.15Å; P390-A394 WeakPolarHBondContact O-CB 3.45Å; P390-A394 PolarHBondContact O-N 2.74Å; P390-V529 HydrophobicContact CB-CG1 4.48Å |
| 391 | W | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.6 | -47.7 | 175.7 | -178.5 | -157.6 | 0 | 0 | 0 | 112.4 | P318 L383 T384 D387 R388 V389 K393 A394 R395 F399 L408 W452 D454 | P318-W391 HydrophobicContact CB-CB 4.28Å; P318-W391 HydrophobicContact CB-CG 3.9Å; P318-W391 VanDerWaalsContact CG-CD1 3.45Å; P318-W391 HydrophobicContact CG-CD2 3.93Å; P318-W391 HydrophobicContact CG-CG 3.74Å; P318-W391 HydrophobicContact CG-CZ2 4.45Å; L383-W391 HydrophobicContact CB-CD2 3.77Å; L383-W391 HydrophobicContact CB-CE3 3.48Å; L383-W391 VanDerWaalsContact CB-CE3 3.48Å; L383-W391 HydrophobicContact CB-CG 4.27Å; L383-W391 HydrophobicContact CB-CZ3 3.96Å; L383-W391 HydrophobicContact CD1-CE3 3.73Å; L383-W391 HydrophobicContact CD1-CH2 4.43Å; L383-W391 HydrophobicContact CD1-CZ3 3.52Å; L383-W391 HydrophobicContact CD2-CE3 4.43Å; L383-W391 HydrophobicContact CG-CE3 4.07Å; L383-W391 HydrophobicContact CG-CZ3 4.32Å; L383-W391 VanDerWaalsContact O-CB 3.24Å; L383-W391 WeakPolarHBondContact O-CB 3.47Å; L383-W391 VanDerWaalsContact O-CG 3.22Å; T384-W391 HydrophobicContact CG2-CZ2 4.25Å; D387-W391 PolarHBondContact O-N 2.86Å; R388-W391 PolarHBondContact O-N 2.98Å; V389-W391 PolarHBondContact O-N 2.89Å; W391-K393 VanDerWaalsContact C-N 3.31Å; W391-K393 PolarHBondContact O-N 3.36Å; W391-A394 HydrophobicContact CE3-CB 4.24Å; W391-A394 PolarHBondContact O-N 2.94Å; W391-R395 HydrophobicContact CD2-CB 4.48Å; W391-R395 HydrophobicContact CE3-CB 4Å; W391-R395 HydrophobicContact CH2-CB 4.03Å; W391-R395 HydrophobicContact CH2-CG 4.19Å; W391-R395 HydrophobicContact CZ2-CB 4.5Å; W391-R395 HydrophobicContact CZ3-CB 3.76Å; W391-R395 HydrophobicContact CZ3-CG 4.41Å; W391-R395 VanDerWaalsContact O-CB 3.31Å; W391-R395 WeakPolarHBondContact O-CB 3.46Å; W391-R395 PolarHBondContact O-N 2.92Å; W391-F399 HydrophobicContact CH2-CD2 4.5Å; W391-F399 HydrophobicContact CZ3-CD2 4.07Å; W391-F399 HydrophobicContact CZ3-CE2 4.1Å; W391-L408 HydrophobicContact CH2-CD1 4.26Å; W391-L408 HydrophobicContact CH2-CD2 4.26Å; W391-L408 HydrophobicContact CZ2-CD1 4.42Å; W391-W452 HydrophobicContact CZ2-CH2 4.49Å; W391-W452 HydrophobicContact CZ2-CZ2 4.15Å; W391-D454 PolarHBondContact NE1-OD2 3.45Å |
| 392 | A | 98.7 | Very high | 97.9 | Very high | 7 Ų | 7 | 43 Ų | 43 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.4 | -46.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P318 G319 E320 R388 V389 R395 Q396 | P318-A392 HydrophobicContact CB-CB 3.98Å; G319-A392 WeakPolarHBondContact O-CB 3.35Å; E320-A392 HydrophobicContact CG-CB 4.23Å; R388-A392 WeakPolarHBondContact O-CB 3.46Å; R388-A392 PolarHBondContact O-N 3.07Å; V389-A392 PolarHBondContact O-N 3.4Å; A392-R395 PolarHBondContact O-N 2.88Å; A392-Q396 PolarHBondContact O-N 3.27Å; A392-Q396 VanDerWaalsContact O-N 3.08Å |
| 393 | K | 98.6 | Very high | 97.9 | Very high | 110 Ų | 110 | 46.9 Ų | 46.9 | 48% | 0.478 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.9 | -46 | 179.1 | -69.9 | -179.1 | 177 | -176.7 | 0 | 112 | E320 V389 P390 W391 R395 Q396 A397 | E320-K393 HydrophobicContact CG-CG 4.33Å; E320-K393 WeakPolarHBondContact OE2-CE 3.47Å; E320-K393 IonicContact OE2-NZ 2.77Å; V389-K393 HydrophobicContact CG1-CD 4.28Å; V389-K393 WeakPolarHBondContact O-CG 3.29Å; V389-K393 PolarHBondContact O-N 3.21Å; P390-K393 PolarHBondContact O-N 3.15Å; W391-K393 VanDerWaalsContact C-N 3.31Å; W391-K393 PolarHBondContact O-N 3.36Å; K393-R395 VanDerWaalsContact C-N 3.34Å; K393-R395 PolarHBondContact O-N 2.95Å; K393-Q396 PolarHBondContact O-N 3.31Å; K393-A397 WeakPolarHBondContact O-CB 3.47Å; K393-A397 PolarHBondContact O-N 3.22Å |
| 394 | A | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.3 | -43.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L383 P390 W391 Q396 A397 Y398 F399 V529 | L383-A394 HydrophobicContact CD1-CB 4.48Å; L383-A394 HydrophobicContact CD2-CB 4.26Å; P390-A394 WeakPolarHBondContact O-CB 3.45Å; P390-A394 PolarHBondContact O-N 2.74Å; W391-A394 HydrophobicContact CE3-CB 4.24Å; W391-A394 PolarHBondContact O-N 2.94Å; A394-Q396 VanDerWaalsContact C-N 3.34Å; A394-Q396 PolarHBondContact O-N 2.77Å; A394-A397 PolarHBondContact O-N 3.17Å; A394-Y398 HydrophobicContact CB-CD2 4.19Å; A394-Y398 WeakPolarHBondContact O-CD2 3.46Å; A394-Y398 PolarHBondContact O-N 3.44Å; A394-F399 WeakPolarHBondContact O-CD2 3.16Å; A394-V529 HydrophobicContact CB-CG1 4.09Å |
| 395 | R | 98.3 | Very high | 97.8 | Very high | 64 Ų | 64 | 51.5 Ų | 51.5 | 24% | 0.242 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.2 | -46.8 | 175.7 | -172.3 | 178.6 | 178.9 | -74.9 | -2.8 | 111.8 | P318 W391 A392 K393 F399 S400 L408 E412 | P318-R395 HydrophobicContact CG-CB 4.34Å; W391-R395 HydrophobicContact CD2-CB 4.48Å; W391-R395 HydrophobicContact CE3-CB 4Å; W391-R395 HydrophobicContact CH2-CB 4.03Å; W391-R395 HydrophobicContact CH2-CG 4.19Å; W391-R395 HydrophobicContact CZ2-CB 4.5Å; W391-R395 HydrophobicContact CZ3-CB 3.76Å; W391-R395 HydrophobicContact CZ3-CG 4.41Å; W391-R395 VanDerWaalsContact O-CB 3.31Å; W391-R395 WeakPolarHBondContact O-CB 3.46Å; W391-R395 PolarHBondContact O-N 2.92Å; A392-R395 PolarHBondContact O-N 2.88Å; K393-R395 VanDerWaalsContact C-N 3.34Å; K393-R395 PolarHBondContact O-N 2.95Å; R395-F399 HydrophobicContact CG-CB 4.47Å; R395-F399 CarbonylContact O-C 3.56Å; R395-F399 WeakPolarHBondContact O-CA 3.5Å; R395-F399 WeakPolarHBondContact O-CB 3.44Å; R395-F399 PolarHBondContact O-N 3.27Å; R395-F399 VanDerWaalsContact O-N 3.1Å; R395-S400 PolarHBondContact O-N 2.8Å; R395-L408 HydrophobicContact CG-CD2 3.85Å; R395-E412 IonicContact CZ-OE1 2.75Å; R395-E412 VanDerWaalsContact CZ-OE1 3.29Å; R395-E412 IonicContact CZ-OE2 3.08Å; R395-E412 IonicContact NE-OE1 3.01Å; R395-E412 PolarHBondContact NE-OE1 3.4Å; R395-E412 VanDerWaalsContact NH2-CD 3.33Å; R395-E412 IonicContact NH2-OE1 3.66Å; R395-E412 PolarHBondContact NH2-OE1 3.41Å; R395-E412 IonicContact NH2-OE2 3.94Å; R395-E412 PolarHBondContact NH2-OE2 2.81Å |
| 396 | Q | 98.2 | Very high | 97.8 | Very high | 127 Ų | 127 | 58.2 Ų | 58.2 | 59% | 0.593 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.6 | -45.1 | 179.2 | -175.8 | 178.2 | 6.3 | 0 | 0 | 112.4 | A392 K393 A394 S400 | A392-Q396 PolarHBondContact O-N 3.27Å; A392-Q396 VanDerWaalsContact O-N 3.08Å; K393-Q396 PolarHBondContact O-N 3.31Å; A394-Q396 VanDerWaalsContact C-N 3.34Å; A394-Q396 PolarHBondContact O-N 2.77Å; Q396-S400 WeakPolarHBondContact O-CB 3.21Å; Q396-S400 PolarHBondContact O-OG 3.17Å |
| 397 | A | 98.3 | Very high | 97.9 | Very high | 63 Ų | 63 | 58.5 Ų | 58.5 | 52% | 0.521 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -71.1 | -46.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K393 A394 | K393-A397 WeakPolarHBondContact O-CB 3.47Å; K393-A397 PolarHBondContact O-N 3.22Å; A394-A397 PolarHBondContact O-N 3.17Å |
| 398 | Y | 98.4 | Very high | 98 | Very high | 68 Ų | 68 | 55.8 Ų | 55.8 | 27% | 0.267 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -111.8 | -18.4 | -165.3 | -52.5 | -65.1 | 0 | 0 | 0 | 114.4 | A394 N404 P523 E525 C526 | A394-Y398 HydrophobicContact CB-CD2 4.19Å; A394-Y398 WeakPolarHBondContact O-CD2 3.46Å; A394-Y398 PolarHBondContact O-N 3.44Å; Y398-N404 VanDerWaalsContact O-CB 3.28Å; Y398-N404 WeakPolarHBondContact O-CB 3.49Å; Y398-N404 PolarHBondContact O-ND2 3.4Å; Y398-P523 HydrophobicContact CD1-CG 3.63Å; Y398-P523 HydrophobicContact CE1-CG 3.83Å; Y398-E525 WeakPolarHBondContact OH-CB 3.35Å; Y398-C526 HydrophobicContact CD1-CB 3.98Å; Y398-C526 HydrophobicContact CD2-CB 3.54Å; Y398-C526 WeakPolarHBondContact CD2-SG 3.27Å; Y398-C526 HydrophobicContact CE1-CB 4.18Å; Y398-C526 HydrophobicContact CE2-CB 3.75Å; Y398-C526 HydrophobicContact CG-CB 3.66Å |
| 399 | F | 98.3 | Very high | 98 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -116.9 | 11.9 | -174.4 | -57.8 | -93.4 | 0 | 0 | 0 | 114 | L380 L383 W391 A394 R395 N404 K405 L408 W520 | L380-F399 HydrophobicContact CD1-CE1 3.75Å; L380-F399 HydrophobicContact CD1-CE2 4.46Å; L380-F399 HydrophobicContact CD1-CZ 3.4Å; L380-F399 HydrophobicContact CD2-CE1 4.43Å; L383-F399 HydrophobicContact CD1-CE2 3.99Å; L383-F399 HydrophobicContact CD1-CZ 4.2Å; W391-F399 HydrophobicContact CH2-CD2 4.5Å; W391-F399 HydrophobicContact CZ3-CD2 4.07Å; W391-F399 HydrophobicContact CZ3-CE2 4.1Å; A394-F399 WeakPolarHBondContact O-CD2 3.16Å; R395-F399 HydrophobicContact CG-CB 4.47Å; R395-F399 CarbonylContact O-C 3.56Å; R395-F399 WeakPolarHBondContact O-CA 3.5Å; R395-F399 WeakPolarHBondContact O-CB 3.44Å; R395-F399 PolarHBondContact O-N 3.27Å; R395-F399 VanDerWaalsContact O-N 3.1Å; F399-N404 HydrophobicContact CB-CB 4.48Å; F399-N404 HydrophobicContact CD1-CB 3.74Å; F399-N404 HydrophobicContact CE1-CB 4.28Å; F399-N404 HydrophobicContact CG-CB 4.33Å; F399-K405 VanDerWaalsContact O-CA 3.27Å; F399-K405 WeakPolarHBondContact O-CA 3.47Å; F399-K405 WeakPolarHBondContact O-CB 3.44Å; F399-L408 HydrophobicContact CB-CB 4.47Å; F399-L408 HydrophobicContact CB-CD2 3.48Å; F399-L408 VanDerWaalsContact CB-CD2 3.48Å; F399-L408 HydrophobicContact CD1-CB 4.34Å; F399-L408 HydrophobicContact CD1-CD2 4.32Å; F399-L408 HydrophobicContact CG-CD2 4.06Å; F399-W520 HydrophobicContact CD1-CE3 4.37Å; F399-W520 AromaticContact CD1-CZ3 3.83Å; F399-W520 HydrophobicContact CD1-CZ3 3.83Å; F399-W520 AromaticContact CE1-CE3 3.91Å; F399-W520 HydrophobicContact CE1-CE3 3.91Å; F399-W520 AromaticContact CE1-CZ3 3.64Å; F399-W520 HydrophobicContact CE1-CZ3 3.64Å |
| 400 | S | 96.1 | Very high | 98 | Very high | 55 Ų | 55 | 55.8 Ų | 55.8 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -88.3 | -11 | -178.2 | 61.5 | 0 | 0 | 0 | 0 | 114.3 | R395 Q396 K405 | R395-S400 PolarHBondContact O-N 2.8Å; Q396-S400 WeakPolarHBondContact O-CB 3.21Å; Q396-S400 PolarHBondContact O-OG 3.17Å; S400-K405 VanDerWaalsContact O-CD 3.31Å; S400-K405 WeakPolarHBondContact O-CD 3.48Å |
| 401 | R | 95.1 | Very high | 98 | Very high | 204 Ų | 204 | 53.6 Ų | 53.6 | 77% | 0.77 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -145.5 | 173.7 | -177.9 | -58.1 | -177.9 | -175.4 | 176.1 | 1 | 112.4 | K405 | R401-K405 WeakPolarHBondContact O-CB 2.99Å; R401-K405 PolarHBondContact O-N 3.06Å; R401-K405 VanDerWaalsContact O-N 3.13Å |
| 402 | G | 96.9 | Very high | 98 | Very high | 47 Ų | 47 | 53.8 Ų | 53.8 | 49% | 0.485 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | 63.3 | -151.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | K405 Q406 | G402-K405 PolarHBondContact O-N 3.36Å; G402-Q406 PolarHBondContact O-N 2.96Å |
| 403 | K | 96.7 | Very high | 97.9 | Very high | 82 Ų | 82 | 57.1 Ų | 57.1 | 36% | 0.357 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 179.6 | -65.4 | -177.4 | -172.8 | 152.4 | 0 | 112 | K405 Q406 S407 Q519 E521 | K403-K405 VanDerWaalsContact C-N 3.33Å; K403-K405 PolarHBondContact O-N 3.36Å; K403-Q406 PolarHBondContact O-N 2.93Å; K403-Q406 VanDerWaalsContact O-N 3.09Å; K403-S407 PolarHBondContact O-N 3.16Å; K403-S407 PolarHBondContact O-OG 2.75Å; K403-Q519 HydrophobicContact CB-CB 4.47Å; K403-Q519 HydrophobicContact CD-CB 4.1Å; K403-E521 HydrophobicContact CD-CG 4.07Å; K403-E521 WeakPolarHBondContact CD-OE1 3.28Å; K403-E521 WeakPolarHBondContact CE-OE1 3.41Å; K403-E521 IonicContact NZ-OE1 3.96Å; K403-E521 PolarHBondContact NZ-OE1 2.93Å |
| 404 | N | 98.3 | Very high | 97.9 | Very high | 9 Ų | 9 | 51.9 Ų | 51.9 | 5% | 0.048 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.6 | -46 | 177.8 | -69.1 | -12 | 0 | 0 | 0 | 112.5 | Y398 F399 Q406 S407 L408 W520 E521 | Y398-N404 VanDerWaalsContact O-CB 3.28Å; Y398-N404 WeakPolarHBondContact O-CB 3.49Å; Y398-N404 PolarHBondContact O-ND2 3.4Å; F399-N404 HydrophobicContact CB-CB 4.48Å; F399-N404 HydrophobicContact CD1-CB 3.74Å; F399-N404 HydrophobicContact CE1-CB 4.28Å; F399-N404 HydrophobicContact CG-CB 4.33Å; N404-Q406 PolarHBondContact O-N 3.24Å; N404-S407 PolarHBondContact O-N 2.98Å; N404-L408 VanDerWaalsContact O-CB 3.27Å; N404-L408 WeakPolarHBondContact O-CB 3.4Å; N404-L408 PolarHBondContact O-N 3.23Å; N404-W520 HydrophobicContact CB-CE3 4.42Å; N404-W520 WeakPolarHBondContact OD1-CA 3.24Å; N404-E521 PolarHBondContact ND2-O 3.47Å; N404-E521 PolarHBondContact OD1-N 2.98Å |
| 405 | K | 98.3 | Very high | 97.9 | Very high | 89 Ų | 89 | 51.8 Ų | 51.8 | 39% | 0.387 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | 176.5 | -173.9 | -164.9 | -176.2 | -73.8 | 0 | 111.9 | F399 S400 R401 G402 K403 S407 D409 | F399-K405 VanDerWaalsContact O-CA 3.27Å; F399-K405 WeakPolarHBondContact O-CA 3.47Å; F399-K405 WeakPolarHBondContact O-CB 3.44Å; S400-K405 VanDerWaalsContact O-CD 3.31Å; S400-K405 WeakPolarHBondContact O-CD 3.48Å; R401-K405 WeakPolarHBondContact O-CB 2.99Å; R401-K405 PolarHBondContact O-N 3.06Å; R401-K405 VanDerWaalsContact O-N 3.13Å; G402-K405 PolarHBondContact O-N 3.36Å; K403-K405 VanDerWaalsContact C-N 3.33Å; K403-K405 PolarHBondContact O-N 3.36Å; K405-S407 VanDerWaalsContact C-N 3.35Å; K405-D409 IonicContact NZ-OD2 3.71Å; K405-D409 PolarHBondContact NZ-OD2 2.95Å; K405-D409 WeakPolarHBondContact O-CB 3.44Å; K405-D409 PolarHBondContact O-N 3.17Å |
| 406 | Q | 98.3 | Very high | 97.9 | Very high | 141 Ų | 141 | 48.7 Ų | 48.7 | 66% | 0.659 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.9 | -42 | -178.7 | -65.9 | 179.3 | 36.1 | 0 | 0 | 111.6 | G402 K403 N404 A410 | G402-Q406 PolarHBondContact O-N 2.96Å; K403-Q406 PolarHBondContact O-N 2.93Å; K403-Q406 VanDerWaalsContact O-N 3.09Å; N404-Q406 PolarHBondContact O-N 3.24Å; Q406-A410 PolarHBondContact O-N 3.33Å |
| 407 | S | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.3 | -45.3 | 177.6 | -65.4 | 0 | 0 | 0 | 0 | 112.1 | K403 N404 K405 D409 A410 I411 Q519 W520 | K403-S407 PolarHBondContact O-N 3.16Å; K403-S407 PolarHBondContact O-OG 2.75Å; N404-S407 PolarHBondContact O-N 2.98Å; K405-S407 VanDerWaalsContact C-N 3.35Å; S407-D409 PolarHBondContact O-N 3.35Å; S407-A410 VanDerWaalsContact O-CB 3.31Å; S407-A410 WeakPolarHBondContact O-CB 3.07Å; S407-A410 PolarHBondContact O-N 2.78Å; S407-A410 VanDerWaalsContact O-N 3.1Å; S407-I411 PolarHBondContact O-N 3.21Å; S407-Q519 WeakPolarHBondContact CB-O 3.33Å; S407-Q519 PolarHBondContact OG-N 2.57Å; S407-Q519 VanDerWaalsContact OG-N 3.12Å; S407-Q519 PolarHBondContact OG-O 3.36Å; S407-W520 VanDerWaalsContact CB-CH2 3.4Å |
| 408 | L | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 174.6 | -177.4 | 63 | 0 | 0 | 0 | 111.5 | W391 R395 F399 N404 A410 I411 E412 W452 W520 | W391-L408 HydrophobicContact CH2-CD1 4.26Å; W391-L408 HydrophobicContact CH2-CD2 4.26Å; W391-L408 HydrophobicContact CZ2-CD1 4.42Å; R395-L408 HydrophobicContact CG-CD2 3.85Å; F399-L408 HydrophobicContact CB-CB 4.47Å; F399-L408 HydrophobicContact CB-CD2 3.48Å; F399-L408 VanDerWaalsContact CB-CD2 3.48Å; F399-L408 HydrophobicContact CD1-CB 4.34Å; F399-L408 HydrophobicContact CD1-CD2 4.32Å; F399-L408 HydrophobicContact CG-CD2 4.06Å; N404-L408 VanDerWaalsContact O-CB 3.27Å; N404-L408 WeakPolarHBondContact O-CB 3.4Å; N404-L408 PolarHBondContact O-N 3.23Å; L408-A410 PolarHBondContact O-N 2.77Å; L408-I411 PolarHBondContact O-N 3.01Å; L408-E412 HydrophobicContact CD1-CG 4.13Å; L408-E412 HydrophobicContact CG-CG 4.17Å; L408-E412 WeakPolarHBondContact O-CG 3.35Å; L408-E412 PolarHBondContact O-N 3.19Å; L408-W452 HydrophobicContact CD1-CH2 3.72Å; L408-W452 HydrophobicContact CD1-CZ2 3.47Å; L408-W452 VanDerWaalsContact CD1-CZ2 3.47Å; L408-W520 HydrophobicContact CB-CZ3 4.45Å |
| 409 | D | 98 | Very high | 98 | Very high | 30 Ų | 30 | 36.5 Ų | 36.5 | 16% | 0.16 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.8 | -37.2 | 173 | -92.3 | -44.7 | 0 | 0 | 0 | 111.2 | K405 S407 K413 | K405-D409 IonicContact NZ-OD2 3.71Å; K405-D409 PolarHBondContact NZ-OD2 2.95Å; K405-D409 WeakPolarHBondContact O-CB 3.44Å; K405-D409 PolarHBondContact O-N 3.17Å; S407-D409 PolarHBondContact O-N 3.35Å; D409-K413 VanDerWaalsContact CG-NZ 3.3Å; D409-K413 WeakPolarHBondContact O-CB 3.48Å; D409-K413 VanDerWaalsContact O-CG 3.29Å; D409-K413 WeakPolarHBondContact O-CG 3.15Å; D409-K413 PolarHBondContact O-N 2.99Å; D409-K413 IonicContact OD1-NZ 2.86Å; D409-K413 PolarHBondContact OD1-NZ 3.09Å; D409-K413 IonicContact OD2-NZ 2.8Å |
| 410 | A | 98.5 | Very high | 98 | Very high | 10 Ų | 10 | 36.2 Ų | 36.2 | 8% | 0.083 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H333 V335 K344 Q406 S407 L408 A414 L518 | H333-A410 PolarHBondContact NE2-O 2.85Å; V335-A410 HydrophobicContact CG2-CB 4.45Å; K344-A410 HydrophobicContact CD-CB 4.43Å; Q406-A410 PolarHBondContact O-N 3.33Å; S407-A410 VanDerWaalsContact O-CB 3.31Å; S407-A410 WeakPolarHBondContact O-CB 3.07Å; S407-A410 PolarHBondContact O-N 2.78Å; S407-A410 VanDerWaalsContact O-N 3.1Å; L408-A410 PolarHBondContact O-N 2.77Å; A410-A414 WeakPolarHBondContact O-CB 3.48Å; A410-A414 PolarHBondContact O-N 3.1Å; A410-A414 VanDerWaalsContact O-N 3.13Å; A410-L518 HydrophobicContact CB-CD1 4.36Å; A410-L518 HydrophobicContact CB-CD2 4.01Å |
| 411 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.5 | -52.9 | 176.7 | -62.2 | 172.5 | 0 | 0 | 0 | 111 | V335 Y342 S407 L408 K413 A414 F417 W452 K455 L518 W520 | V335-I411 HydrophobicContact CB-CG1 4.35Å; V335-I411 HydrophobicContact CG1-CG1 4.03Å; V335-I411 HydrophobicContact CG2-CG1 4.09Å; Y342-I411 HydrophobicContact CD1-CD1 3.93Å; Y342-I411 HydrophobicContact CE1-CD1 4.22Å; S407-I411 PolarHBondContact O-N 3.21Å; L408-I411 PolarHBondContact O-N 3.01Å; I411-K413 VanDerWaalsContact C-N 3.27Å; I411-K413 PolarHBondContact O-N 3.08Å; I411-A414 VanDerWaalsContact O-CB 3.25Å; I411-A414 WeakPolarHBondContact O-CB 3.49Å; I411-A414 PolarHBondContact O-N 3.45Å; I411-A414 VanDerWaalsContact O-N 3.1Å; I411-F417 HydrophobicContact CG1-CE2 4.48Å; I411-F417 HydrophobicContact CG2-CD2 4.04Å; I411-F417 HydrophobicContact CG2-CE2 4.04Å; I411-W452 HydrophobicContact CD1-CE3 4.09Å; I411-W452 HydrophobicContact CD1-CH2 3.92Å; I411-W452 HydrophobicContact CD1-CZ2 4.42Å; I411-W452 HydrophobicContact CD1-CZ3 3.74Å; I411-W452 HydrophobicContact CG2-CD2 3.5Å; I411-W452 VanDerWaalsContact CG2-CE2 3.43Å; I411-W452 HydrophobicContact CG2-CE3 4.06Å; I411-W452 HydrophobicContact CG2-CG 3.76Å; I411-W452 HydrophobicContact CG2-CH2 4.44Å; I411-W452 HydrophobicContact CG2-CZ2 3.94Å; I411-W452 HydrophobicContact CG2-CZ3 4.49Å; I411-K455 PolarHBondContact O-NZ 2.98Å; I411-K455 VanDerWaalsContact O-NZ 3.09Å; I411-L518 HydrophobicContact CD1-CD1 4.25Å; I411-L518 HydrophobicContact CG1-CD1 3.96Å; I411-W520 HydrophobicContact CD1-CH2 3.92Å; I411-W520 HydrophobicContact CD1-CZ2 3.93Å |
| 412 | E | 98.2 | Very high | 98.2 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61 | -37 | -176.5 | -70 | -179.8 | 172.6 | 0 | 0 | 111.5 | S315 I317 R395 L408 K455 | S315-E412 WeakPolarHBondContact OG-CA 3.33Å; S315-E412 PolarHBondContact OG-O 2.88Å; I317-E412 HydrophobicContact CD1-CB 4.42Å; I317-E412 VanDerWaalsContact CD1-CD 3.47Å; I317-E412 HydrophobicContact CD1-CG 3.94Å; R395-E412 IonicContact CZ-OE1 2.75Å; R395-E412 VanDerWaalsContact CZ-OE1 3.29Å; R395-E412 IonicContact CZ-OE2 3.08Å; R395-E412 IonicContact NE-OE1 3.01Å; R395-E412 PolarHBondContact NE-OE1 3.4Å; R395-E412 VanDerWaalsContact NH2-CD 3.33Å; R395-E412 IonicContact NH2-OE1 3.66Å; R395-E412 PolarHBondContact NH2-OE1 3.41Å; R395-E412 IonicContact NH2-OE2 3.94Å; R395-E412 PolarHBondContact NH2-OE2 2.81Å; L408-E412 HydrophobicContact CD1-CG 4.13Å; L408-E412 HydrophobicContact CG-CG 4.17Å; L408-E412 WeakPolarHBondContact O-CG 3.35Å; L408-E412 PolarHBondContact O-N 3.19Å; E412-K455 PolarHBondContact O-NZ 3.33Å |
| 413 | K | 97.9 | Very high | 98.2 | Very high | 78 Ų | 78 | 27.1 Ų | 27.1 | 34% | 0.339 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -2.7 | 179.1 | -62.9 | 169.9 | 173.8 | 138.9 | 0 | 114.3 | V328 S331 D409 I411 | V328-K413 HydrophobicContact CG1-CG 4.24Å; V328-K413 HydrophobicContact CG2-CB 4.3Å; V328-K413 HydrophobicContact CG2-CG 4.47Å; S331-K413 WeakPolarHBondContact CB-O 3.47Å; S331-K413 PolarHBondContact OG-O 3.44Å; D409-K413 VanDerWaalsContact CG-NZ 3.3Å; D409-K413 WeakPolarHBondContact O-CB 3.48Å; D409-K413 VanDerWaalsContact O-CG 3.29Å; D409-K413 WeakPolarHBondContact O-CG 3.15Å; D409-K413 PolarHBondContact O-N 2.99Å; D409-K413 IonicContact OD1-NZ 2.86Å; D409-K413 PolarHBondContact OD1-NZ 3.09Å; D409-K413 IonicContact OD2-NZ 2.8Å; I411-K413 VanDerWaalsContact C-N 3.27Å; I411-K413 PolarHBondContact O-N 3.08Å |
| 414 | A | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -57.7 | 151.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V335 A410 I411 F416 K455 | V335-A414 HydrophobicContact CB-CB 4.49Å; V335-A414 HydrophobicContact CG2-CB 4.15Å; A410-A414 WeakPolarHBondContact O-CB 3.48Å; A410-A414 PolarHBondContact O-N 3.1Å; A410-A414 VanDerWaalsContact O-N 3.13Å; I411-A414 VanDerWaalsContact O-CB 3.25Å; I411-A414 WeakPolarHBondContact O-CB 3.49Å; I411-A414 PolarHBondContact O-N 3.45Å; I411-A414 VanDerWaalsContact O-N 3.1Å; A414-F416 VanDerWaalsContact C-N 3.3Å; A414-F416 PolarHBondContact O-N 2.83Å; A414-K455 WeakPolarHBondContact O-CE 3.46Å; A414-K455 PolarHBondContact O-NZ 3.47Å |
| 415 | A | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -62.7 | -41.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F312 N313 S331 H333 I334 L347 | F312-A415 WeakPolarHBondContact CA-O 3.39Å; N313-A415 PolarHBondContact N-O 2.77Å; N313-A415 WeakPolarHBondContact OD1-CA 3.44Å; S331-A415 PolarHBondContact OG-N 2.68Å; S331-A415 VanDerWaalsContact OG-N 3.12Å; H333-A415 PolarHBondContact O-N 2.75Å; I334-A415 HydrophobicContact CG2-CB 4.28Å; L347-A415 HydrophobicContact CD1-CB 4.21Å |
| 416 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -161 | 170.4 | 170.5 | 55.7 | -85.2 | 0 | 0 | 0 | 107.8 | I276 I279 L280 F312 I334 A414 V418 F457 L459 | I276-F416 HydrophobicContact CG1-CE2 4.35Å; I276-F416 HydrophobicContact CG1-CZ 4.41Å; I276-F416 HydrophobicContact CG2-CZ 4.06Å; I279-F416 HydrophobicContact CB-CE1 4.31Å; I279-F416 HydrophobicContact CB-CZ 4.14Å; I279-F416 HydrophobicContact CD1-CE2 4.07Å; I279-F416 HydrophobicContact CD1-CZ 4.16Å; I279-F416 HydrophobicContact CG2-CD1 3.96Å; I279-F416 HydrophobicContact CG2-CE1 3.48Å; I279-F416 VanDerWaalsContact CG2-CE1 3.48Å; I279-F416 HydrophobicContact CG2-CE2 4.44Å; I279-F416 HydrophobicContact CG2-CZ 3.73Å; L280-F416 HydrophobicContact CD2-CE1 4.09Å; F312-F416 HydrophobicContact CD1-CD1 4.1Å; F312-F416 HydrophobicContact CE1-CD1 4.17Å; I334-F416 HydrophobicContact CG2-CD1 3.9Å; I334-F416 HydrophobicContact CG2-CD2 4.21Å; I334-F416 HydrophobicContact CG2-CE1 3.69Å; I334-F416 HydrophobicContact CG2-CE2 4.02Å; I334-F416 HydrophobicContact CG2-CG 4.16Å; I334-F416 HydrophobicContact CG2-CZ 3.77Å; A414-F416 VanDerWaalsContact C-N 3.3Å; A414-F416 PolarHBondContact O-N 2.83Å; F416-V418 HydrophobicContact CD2-CG2 3.82Å; F416-V418 HydrophobicContact CE2-CG2 3.53Å; F416-F457 HydrophobicContact CB-CD2 4.2Å; F416-F457 HydrophobicContact CB-CE1 3.97Å; F416-F457 HydrophobicContact CB-CE2 3.51Å; F416-F457 HydrophobicContact CB-CZ 3.38Å; F416-F457 HydrophobicContact CD1-CZ 4.15Å; F416-F457 AromaticContact CD2-CE2 3.89Å; F416-F457 HydrophobicContact CD2-CE2 3.89Å; F416-F457 HydrophobicContact CD2-CZ 4.31Å; F416-F457 AromaticContact CG-CE2 3.75Å; F416-F457 HydrophobicContact CG-CE2 3.75Å; F416-F457 AromaticContact CG-CZ 3.72Å; F416-F457 HydrophobicContact CG-CZ 3.72Å; F416-L459 HydrophobicContact CE2-CD2 4.39Å |
| 417 | F | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 145.9 | 179.4 | -163.7 | -95.2 | 0 | 0 | 0 | 110.2 | V335 Y342 I411 W452 K455 F457 T458 L459 | V335-F417 HydrophobicContact CB-CD2 4.02Å; V335-F417 HydrophobicContact CB-CE2 4.02Å; V335-F417 HydrophobicContact CG1-CD2 4.18Å; V335-F417 HydrophobicContact CG1-CE2 3.65Å; V335-F417 HydrophobicContact CG1-CZ 4.45Å; Y342-F417 HydrophobicContact CD1-CE2 4.07Å; Y342-F417 AromaticContact CD1-CZ 3.86Å; Y342-F417 HydrophobicContact CD1-CZ 3.86Å; Y342-F417 HydrophobicContact CE1-CE2 4.23Å; Y342-F417 AromaticContact CE1-CZ 3.76Å; Y342-F417 HydrophobicContact CE1-CZ 3.76Å; I411-F417 HydrophobicContact CG1-CE2 4.48Å; I411-F417 HydrophobicContact CG2-CD2 4.04Å; I411-F417 HydrophobicContact CG2-CE2 4.04Å; F417-W452 HydrophobicContact CB-CB 4.39Å; F417-W452 HydrophobicContact CD1-CB 3.84Å; F417-W452 HydrophobicContact CD2-CB 3.8Å; F417-W452 HydrophobicContact CD2-CG 4.35Å; F417-W452 HydrophobicContact CE1-CB 3.98Å; F417-W452 HydrophobicContact CE2-CB 3.93Å; F417-W452 HydrophobicContact CE2-CG 4.4Å; F417-W452 HydrophobicContact CG-CB 3.75Å; F417-W452 HydrophobicContact CZ-CB 4.01Å; F417-K455 HydrophobicContact CB-CB 4.11Å; F417-K455 HydrophobicContact CB-CD 4.43Å; F417-K455 HydrophobicContact CB-CG 3.88Å; F417-F457 PolarHBondContact N-O 3.32Å; F417-T458 HydrophobicContact CD1-CG2 3.75Å; F417-T458 CarbonylContact O-C 3.6Å; F417-T458 WeakPolarHBondContact O-CA 3.27Å; F417-L459 PolarHBondContact O-N 2.78Å |
| 418 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 136.9 | 178.7 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | I276 I334 V335 V336 Y337 F416 L420 L459 | I276-V418 HydrophobicContact CD1-CG1 4.36Å; I276-V418 HydrophobicContact CD1-CG2 4.2Å; I276-V418 HydrophobicContact CG1-CG2 4.39Å; I334-V418 HydrophobicContact CD1-CG2 3.86Å; V335-V418 PolarHBondContact O-N 2.95Å; V336-V418 CarbonylContact C-O 3.54Å; V336-V418 VanDerWaalsContact CA-O 3.3Å; V336-V418 WeakPolarHBondContact CA-O 3.27Å; V336-V418 HydrophobicContact CG1-CB 4.43Å; V336-V418 HydrophobicContact CG1-CG1 4.35Å; V336-V418 HydrophobicContact CG2-CB 4.16Å; Y337-V418 PolarHBondContact N-O 2.91Å; F416-V418 HydrophobicContact CD2-CG2 3.82Å; F416-V418 HydrophobicContact CE2-CG2 3.53Å; V418-L420 HydrophobicContact CG1-CD2 4.29Å; V418-L459 CarbonylContact C-O 3.56Å; V418-L459 VanDerWaalsContact CA-O 3.28Å; V418-L459 WeakPolarHBondContact CA-O 3.42Å; V418-L459 HydrophobicContact CG1-CD2 4.27Å; V418-L459 HydrophobicContact CG2-CB 4.34Å; V418-L459 HydrophobicContact CG2-CD2 4.21Å |
| 419 | T | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 121.2 | 169.8 | -58.7 | 0 | 0 | 0 | 0 | 109.1 | Y337 D421 D450 L459 V461 | Y337-T419 HydrophobicContact CD1-CG2 3.78Å; Y337-T419 HydrophobicContact CE1-CG2 4.42Å; T419-D421 HydrophobicContact CG2-CB 4.28Å; T419-D450 WeakPolarHBondContact CG2-O 3.44Å; T419-D450 PolarHBondContact OG1-O 2.93Å; T419-D450 VanDerWaalsContact OG1-O 3.08Å; T419-L459 PolarHBondContact N-O 3.46Å; T419-V461 PolarHBondContact O-N 2.86Å |
| 420 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 96.4 | 164.4 | -56.9 | -180 | 0 | 0 | 0 | 107 | Q268 A272 V336 Y337 H338 M363 I366 L367 V418 V461 | Q268-L420 HydrophobicContact CG-CD2 4.44Å; A272-L420 HydrophobicContact CB-CD2 3.92Å; V336-L420 HydrophobicContact CG1-CD1 3.83Å; V336-L420 HydrophobicContact CG1-CG 3.77Å; Y337-L420 PolarHBondContact O-N 2.75Å; H338-L420 HydrophobicContact CB-CB 4.25Å; H338-L420 PolarHBondContact ND1-O 3.03Å; M363-L420 HydrophobicContact CB-CD1 4.1Å; M363-L420 HydrophobicContact SD-CD1 4.13Å; M363-L420 HydrophobicContact SD-CD2 4.46Å; I366-L420 HydrophobicContact CB-CD1 4.46Å; I366-L420 HydrophobicContact CG2-CD1 4.21Å; L367-L420 HydrophobicContact CD2-CB 4Å; L367-L420 HydrophobicContact CD2-CD1 3.93Å; L367-L420 HydrophobicContact CG-CD1 4.06Å; V418-L420 HydrophobicContact CG1-CD2 4.29Å; L420-V461 HydrophobicContact CD2-CB 4.16Å; L420-V461 HydrophobicContact CD2-CG2 4.49Å |
| 421 | D | 98.3 | Very high | 96.8 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | trans | -79.7 | 141.8 | -175.8 | -148 | -50.3 | 0 | 0 | 0 | 110.7 | Q268 T419 I423 R447 R451 I460 V461 F462 K463 | Q268-D421 PolarHBondContact NE2-O 3.29Å; T419-D421 HydrophobicContact CG2-CB 4.28Å; D421-I423 WeakPolarHBondContact OD1-CG1 3.4Å; D421-I423 PolarHBondContact OD1-N 2.97Å; D421-R447 IonicContact OD1-CZ 3.98Å; D421-R447 IonicContact OD1-NH2 3.89Å; D421-R447 PolarHBondContact OD1-NH2 3.07Å; D421-R451 IonicContact OD2-CZ 3.43Å; D421-R451 IonicContact OD2-NH1 3.25Å; D421-R451 PolarHBondContact OD2-NH1 2.86Å; D421-R451 IonicContact OD2-NH2 3.06Å; D421-R451 PolarHBondContact OD2-NH2 3.2Å; D421-I460 HydrophobicContact CB-CG2 4.48Å; D421-V461 PolarHBondContact N-O 3.48Å; D421-F462 HydrophobicContact CB-CD1 3.79Å; D421-F462 HydrophobicContact CB-CE1 4.07Å; D421-K463 PolarHBondContact O-N 3.44Å | ||
| 422 | D | 96.8 | Very high | 96.5 | Very high | 54 Ų | 54 | 43.8 Ų | 43.8 | 29% | 0.289 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -92.7 | 3.1 | -178.2 | 61 | -33 | 0 | 0 | 0 | 113.9 | K339 R447 | K339-D422 VanDerWaalsContact CE-OD2 3.32Å; K339-D422 WeakPolarHBondContact CE-OD2 3.34Å; K339-D422 HydrophobicContact CG-CB 4.29Å; D422-R447 IonicContact OD1-CZ 3.27Å; D422-R447 VanDerWaalsContact OD1-CZ 3.3Å; D422-R447 IonicContact OD1-NH1 2.68Å; D422-R447 PolarHBondContact OD1-NH1 2.89Å; D422-R447 VanDerWaalsContact OD1-NH1 3.08Å; D422-R447 IonicContact OD1-NH2 3.71Å; D422-R447 PolarHBondContact OD1-NH2 3.25Å |
| 423 | I | 97.2 | Very high | 96.1 | Very high | 59 Ų | 59 | 47.6 Ų | 47.6 | 30% | 0.303 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -99.8 | 165.5 | 168.8 | 73.1 | -176.3 | 0 | 0 | 0 | 112.1 | D421 Q425 F462 K463 | D421-I423 WeakPolarHBondContact OD1-CG1 3.4Å; D421-I423 PolarHBondContact OD1-N 2.97Å; I423-Q425 HydrophobicContact CD1-CG 4.07Å; I423-Q425 HydrophobicContact CG1-CG 4.14Å; I423-F462 HydrophobicContact CD1-CE1 4.37Å; I423-F462 HydrophobicContact CG1-CD1 3.93Å; I423-F462 HydrophobicContact CG1-CE1 4.09Å; I423-F462 WeakPolarHBondContact O-CB 3.29Å; I423-K463 WeakPolarHBondContact O-CB 3.47Å; I423-K463 PolarHBondContact O-N 2.99Å |
| 424 | E | 96.9 | Very high | 96 | Very high | 109 Ų | 109 | 47.1 Ų | 47.1 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | trans | -102.9 | 137.4 | 173 | -61.5 | -179.4 | -171.8 | 0 | 0 | 109.7 | K463 N464 | E424-K463 HydrophobicContact CG-CB 3.96Å; E424-K463 HydrophobicContact CG-CD 4.3Å; E424-K463 HydrophobicContact CG-CG 4.41Å; E424-N464 HydrophobicContact CB-CB 4.14Å; E424-N464 HydrophobicContact CG-CB 3.84Å | ||
| 425 | Q | 96.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 5% | 0.051 | 23% | 0.226 | C | C | . | . | trans | -142.3 | 173.3 | 177.3 | -67.7 | -64.4 | -6.9 | 0 | 0 | 110.6 | I423 Y439 F462 N464 K466 | I423-Q425 HydrophobicContact CD1-CG 4.07Å; I423-Q425 HydrophobicContact CG1-CG 4.14Å; Q425-Y439 HydrophobicContact CB-CD2 3.67Å; Q425-Y439 HydrophobicContact CB-CE2 4.35Å; Q425-Y439 HydrophobicContact CB-CG 4.3Å; Q425-F462 HydrophobicContact CB-CD1 3.78Å; Q425-F462 HydrophobicContact CB-CD2 3.94Å; Q425-F462 HydrophobicContact CB-CE1 3.84Å; Q425-F462 HydrophobicContact CB-CE2 4.01Å; Q425-F462 HydrophobicContact CB-CG 3.84Å; Q425-F462 HydrophobicContact CB-CZ 3.94Å; Q425-F462 HydrophobicContact CG-CD1 3.57Å; Q425-F462 HydrophobicContact CG-CE1 3.36Å; Q425-F462 HydrophobicContact CG-CE2 4.37Å; Q425-F462 HydrophobicContact CG-CG 4.17Å; Q425-F462 HydrophobicContact CG-CZ 3.79Å; Q425-N464 PolarHBondContact O-ND2 3.34Å; Q425-N464 PolarHBondContact O-OD1 3.26Å; Q425-K466 VanDerWaalsContact O-CB 3.3Å; Q425-K466 WeakPolarHBondContact O-CB 3.37Å; Q425-K466 VanDerWaalsContact O-CG 3.24Å; Q425-K466 WeakPolarHBondContact O-CG 3.07Å | ||
| 426 | G | 94.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 47.4 Ų | 47.4 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 115.8 | 175.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R428 S435 | G426-R428 PolarHBondContact O-N 2.7Å; G426-S435 WeakPolarHBondContact O-CB 3.22Å |
| 427 | Y | 93.9 | Very high | 95.8 | Very high | 66 Ų | 66 | 47.9 Ų | 47.9 | 26% | 0.259 | 23% | 0.23 | S | C | . | . | trans | -61 | 126.3 | -179.4 | 179.2 | -98.8 | 0 | 0 | 0 | 112.1 | L260 Y261 K429 P432 L436 | L260-Y427 HydrophobicContact CD1-CD2 3.72Å; L260-Y427 HydrophobicContact CD1-CE2 4.46Å; L260-Y427 HydrophobicContact CD1-CG 3.83Å; L260-Y427 HydrophobicContact CG-CG 4.45Å; Y261-Y427 HydrophobicContact CD1-CD1 4.01Å; Y261-Y427 AromaticContact CD1-CE1 3.93Å; Y261-Y427 HydrophobicContact CD1-CE1 3.93Å; Y261-Y427 HydrophobicContact CE1-CD1 4.06Å; Y261-Y427 AromaticContact CE1-CE1 3.64Å; Y261-Y427 HydrophobicContact CE1-CE1 3.64Å; Y261-Y427 AromaticContact CE1-CZ 3.94Å; Y427-K429 HydrophobicContact CE1-CB 4.32Å; Y427-P432 HydrophobicContact CD2-CB 4.35Å; Y427-P432 HydrophobicContact CE2-CB 3.48Å; Y427-P432 VanDerWaalsContact CE2-CB 3.48Å; Y427-L436 HydrophobicContact CD2-CD1 4.12Å; Y427-L436 HydrophobicContact CD2-CD2 4.19Å; Y427-L436 HydrophobicContact CD2-CG 4.07Å | ||
| 428 | R | 93.4 | Very high | 95.7 | Very high | 91 Ų | 91 | 52 Ų | 52 | 34% | 0.343 | 25% | 0.25 | S | S | . | . | trans | -115.2 | 129 | 170.7 | -62.6 | -172.9 | -63.1 | -102 | -0.5 | 109.1 | G426 E430 D431 P432 S435 | G426-R428 PolarHBondContact O-N 2.7Å; R428-E430 PolarHBondContact O-N 3.23Å; R428-D431 IonicContact NH2-OD2 3.48Å; R428-D431 CarbonylContact O-C 3.56Å; R428-D431 VanDerWaalsContact O-C 3.28Å; R428-D431 PolarHBondContact O-N 3.38Å; R428-P432 VanDerWaalsContact O-CA 3.29Å; R428-P432 WeakPolarHBondContact O-CA 3.32Å; R428-S435 PolarHBondContact N-OG 2.71Å | ||
| 429 | K | 91.1 | Very high | 95.6 | Very high | 168 Ų | 168 | 52.2 Ų | 52.2 | 73% | 0.73 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -29.2 | -175.4 | -174.1 | 178.9 | 177.2 | -176.5 | 0 | 112.2 | Y427 D431 | Y427-K429 HydrophobicContact CE1-CB 4.32Å; K429-D431 VanDerWaalsContact C-N 3.27Å; K429-D431 PolarHBondContact O-N 3.28Å |
| 430 | E | 94.4 | Very high | 95.6 | Very high | 164 Ų | 164 | 52.2 Ų | 52.2 | 77% | 0.766 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -23.8 | -178.2 | -56.4 | 69.5 | -146.9 | 0 | 0 | 112 | R428 | R428-E430 PolarHBondContact O-N 3.23Š|
| 431 | D | 94.2 | Very high | 95.5 | Very high | 56 Ų | 56 | 55 Ų | 55 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -152.5 | 68.3 | -173.6 | 177.2 | 27.4 | 0 | 0 | 0 | 110 | R428 K429 T434 S435 | R428-D431 IonicContact NH2-OD2 3.48Å; R428-D431 CarbonylContact O-C 3.56Å; R428-D431 VanDerWaalsContact O-C 3.28Å; R428-D431 PolarHBondContact O-N 3.38Å; K429-D431 VanDerWaalsContact C-N 3.27Å; K429-D431 PolarHBondContact O-N 3.28Å; D431-T434 WeakPolarHBondContact OD1-CB 3.5Å; D431-T434 PolarHBondContact OD1-OG1 2.79Å; D431-T434 WeakPolarHBondContact OD2-CB 3.49Å; D431-T434 PolarHBondContact OD2-OG1 2.98Å; D431-S435 WeakPolarHBondContact O-CB 3.31Å; D431-S435 PolarHBondContact O-N 3.45Å; D431-S435 VanDerWaalsContact O-N 3.1Å; D431-S435 PolarHBondContact O-OG 2.87Å |
| 432 | P | 91.2 | Very high | 95.5 | Very high | 52 Ų | 52 | 55.3 Ų | 55.3 | 34% | 0.338 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -66.9 | -40.5 | -167.2 | 25.1 | -34.5 | 0 | 0 | 0 | 113.2 | Y427 R428 S435 L436 | Y427-P432 HydrophobicContact CD2-CB 4.35Å; Y427-P432 HydrophobicContact CE2-CB 3.48Å; Y427-P432 VanDerWaalsContact CE2-CB 3.48Å; R428-P432 VanDerWaalsContact O-CA 3.29Å; R428-P432 WeakPolarHBondContact O-CA 3.32Å; P432-S435 PolarHBondContact O-OG 2.98Å; P432-S435 VanDerWaalsContact O-OG 3.13Å; P432-L436 VanDerWaalsContact O-CG 3.31Å; P432-L436 WeakPolarHBondContact O-CG 3.14Å; P432-L436 PolarHBondContact O-N 3.31Å |
| 433 | E | 91.3 | Very high | 95.6 | Very high | 86 Ų | 86 | 52.7 Ų | 52.7 | 40% | 0.402 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -68.1 | -61.4 | -178 | -65 | -177.8 | -169.4 | 0 | 0 | 110.6 | S435 L436 D437 H547 | E433-S435 VanDerWaalsContact C-N 3.25Å; E433-S435 PolarHBondContact O-N 3.26Å; E433-L436 PolarHBondContact O-N 2.81Å; E433-L436 VanDerWaalsContact O-N 3.1Å; E433-D437 VanDerWaalsContact O-CG 3.26Å; E433-D437 PolarHBondContact O-N 2.57Å; E433-H547 IonicContact OE2-CE1 2.73Å |
| 434 | T | 95.4 | Very high | 95.6 | Very high | 67 Ų | 67 | 49.9 Ų | 49.9 | 41% | 0.411 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.9 | -36.4 | -177.8 | -36.7 | 0 | 0 | 0 | 0 | 112.1 | D431 D437 M438 | D431-T434 WeakPolarHBondContact OD1-CB 3.5Å; D431-T434 PolarHBondContact OD1-OG1 2.79Å; D431-T434 WeakPolarHBondContact OD2-CB 3.49Å; D431-T434 PolarHBondContact OD2-OG1 2.98Å; T434-D437 PolarHBondContact O-N 2.74Å; T434-M438 HydrophobicContact CG2-CG 4.34Å; T434-M438 HydrophobicContact CG2-SD 4.26Å; T434-M438 WeakPolarHBondContact O-CB 3.4Å; T434-M438 VanDerWaalsContact O-CG 3.25Å; T434-M438 WeakPolarHBondContact O-CG 3.35Å; T434-M438 PolarHBondContact O-N 2.8Å |
| 435 | S | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.1 | -37.9 | 178.8 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | G426 R428 D431 P432 E433 Y439 | G426-S435 WeakPolarHBondContact O-CB 3.22Å; R428-S435 PolarHBondContact N-OG 2.71Å; D431-S435 WeakPolarHBondContact O-CB 3.31Å; D431-S435 PolarHBondContact O-N 3.45Å; D431-S435 VanDerWaalsContact O-N 3.1Å; D431-S435 PolarHBondContact O-OG 2.87Å; P432-S435 PolarHBondContact O-OG 2.98Å; P432-S435 VanDerWaalsContact O-OG 3.13Å; E433-S435 VanDerWaalsContact C-N 3.25Å; E433-S435 PolarHBondContact O-N 3.26Å; S435-Y439 WeakPolarHBondContact O-CB 3.38Å; S435-Y439 PolarHBondContact O-N 2.81Å; S435-Y439 VanDerWaalsContact O-N 3.13Å |
| 436 | L | 96.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.4 | -35.4 | 174.8 | -71 | 176.2 | 0 | 0 | 0 | 112 | M257 L260 Y427 P432 E433 Y439 A440 S548 | M257-L436 WeakPolarHBondContact CE-O 3.36Å; M257-L436 HydrophobicContact SD-CD2 4.42Å; L260-L436 HydrophobicContact CD1-CD1 4.4Å; L260-L436 HydrophobicContact CD1-CD2 3.96Å; Y427-L436 HydrophobicContact CD2-CD1 4.12Å; Y427-L436 HydrophobicContact CD2-CD2 4.19Å; Y427-L436 HydrophobicContact CD2-CG 4.07Å; P432-L436 VanDerWaalsContact O-CG 3.31Å; P432-L436 WeakPolarHBondContact O-CG 3.14Å; P432-L436 PolarHBondContact O-N 3.31Å; E433-L436 PolarHBondContact O-N 2.81Å; E433-L436 VanDerWaalsContact O-N 3.1Å; L436-Y439 HydrophobicContact CD2-CD1 4.46Å; L436-Y439 PolarHBondContact O-N 2.87Å; L436-A440 WeakPolarHBondContact O-CB 3.45Å; L436-A440 PolarHBondContact O-N 3.41Å; L436-S548 WeakPolarHBondContact CD1-O 3.49Å |
| 437 | D | 97.4 | Very high | 95.8 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.059 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68 | -46.8 | 178.5 | -63.8 | -14.1 | 0 | 0 | 0 | 111.6 | E433 T434 Y439 A440 K441 H547 S548 H745 | E433-D437 VanDerWaalsContact O-CG 3.26Å; E433-D437 PolarHBondContact O-N 2.57Å; T434-D437 PolarHBondContact O-N 2.74Å; D437-Y439 PolarHBondContact O-N 2.99Å; D437-A440 PolarHBondContact O-N 2.61Å; D437-K441 WeakPolarHBondContact O-CB 3.4Å; D437-K441 WeakPolarHBondContact O-CG 3.46Å; D437-K441 PolarHBondContact O-N 3.19Å; D437-H547 WeakPolarHBondContact OD1-CA 3.3Å; D437-H547 IonicContact OD2-ND1 3.71Å; D437-S548 PolarHBondContact OD1-N 2.74Å; D437-H745 IonicContact OD2-CE1 2.79Å; D437-H745 PolarHBondContact OD2-CE1 2.85Å; D437-H745 VanDerWaalsContact OD2-CE1 3.25Å; D437-H745 IonicContact OD2-NE2 2.74Å; D437-H745 PolarHBondContact OD2-NE2 3.01Å |
| 438 | M | 97.4 | Very high | 96 | Very high | 86 Ų | 86 | 46.5 Ų | 46.5 | 42% | 0.424 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -59.6 | -38.9 | 173.5 | -73.1 | -178.1 | 70.4 | 0 | 0 | 111.7 | T434 S442 | T434-M438 HydrophobicContact CG2-CG 4.34Å; T434-M438 HydrophobicContact CG2-SD 4.26Å; T434-M438 WeakPolarHBondContact O-CB 3.4Å; T434-M438 VanDerWaalsContact O-CG 3.25Å; T434-M438 WeakPolarHBondContact O-CG 3.35Å; T434-M438 PolarHBondContact O-N 2.8Å; M438-S442 VanDerWaalsContact O-CB 3.28Å; M438-S442 WeakPolarHBondContact O-CB 3.19Å; M438-S442 PolarHBondContact O-N 2.97Å |
| 439 | Y | 97.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 2% | 0.024 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.1 | -43.9 | 178.2 | -180 | -147.6 | 0 | 0 | 0 | 111.8 | M257 D258 Q425 S435 L436 D437 S442 L443 F462 M467 | M257-Y439 HydrophobicContact CB-CE1 3.78Å; M257-Y439 HydrophobicContact CE-CD1 3.76Å; M257-Y439 HydrophobicContact CE-CE1 4.37Å; M257-Y439 HydrophobicContact CE-CG 4.23Å; M257-Y439 HydrophobicContact CG-CD1 3.96Å; M257-Y439 HydrophobicContact CG-CE1 3.59Å; M257-Y439 HydrophobicContact SD-CD1 3.68Å; M257-Y439 HydrophobicContact SD-CE1 3.76Å; D258-Y439 WeakPolarHBondContact CB-OH 3.38Å; D258-Y439 PolarHBondContact N-OH 3.31Å; Q425-Y439 HydrophobicContact CB-CD2 3.67Å; Q425-Y439 HydrophobicContact CB-CE2 4.35Å; Q425-Y439 HydrophobicContact CB-CG 4.3Å; S435-Y439 WeakPolarHBondContact O-CB 3.38Å; S435-Y439 PolarHBondContact O-N 2.81Å; S435-Y439 VanDerWaalsContact O-N 3.13Å; L436-Y439 HydrophobicContact CD2-CD1 4.46Å; L436-Y439 PolarHBondContact O-N 2.87Å; D437-Y439 PolarHBondContact O-N 2.99Å; Y439-S442 PolarHBondContact O-N 3.44Å; Y439-L443 HydrophobicContact CD2-CD1 3.86Å; Y439-L443 HydrophobicContact CD2-CG 3.95Å; Y439-L443 HydrophobicContact CE1-CD1 4.44Å; Y439-L443 HydrophobicContact CE2-CD1 3.54Å; Y439-L443 HydrophobicContact CE2-CD2 4.07Å; Y439-L443 HydrophobicContact CE2-CG 3.83Å; Y439-L443 HydrophobicContact CG-CD1 4.44Å; Y439-L443 VanDerWaalsContact O-CG 3.3Å; Y439-L443 WeakPolarHBondContact O-CG 3.43Å; Y439-L443 PolarHBondContact O-N 2.98Å; Y439-F462 HydrophobicContact CD2-CE2 4.01Å; Y439-F462 HydrophobicContact CD2-CZ 4.4Å; Y439-F462 HydrophobicContact CE2-CD2 4.2Å; Y439-F462 AromaticContact CE2-CE2 3.65Å; Y439-F462 HydrophobicContact CE2-CE2 3.65Å; Y439-F462 HydrophobicContact CE2-CZ 4.44Å; Y439-M467 PolarHBondContact OH-O 3.03Å |
| 440 | A | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.8 | -50.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F255 M257 L436 D437 S442 L443 I444 F546 | F255-A440 HydrophobicContact CE1-CB 4.28Å; F255-A440 HydrophobicContact CE2-CB 3.95Å; F255-A440 HydrophobicContact CZ-CB 3.57Å; M257-A440 HydrophobicContact CE-CB 3.62Å; L436-A440 WeakPolarHBondContact O-CB 3.45Å; L436-A440 PolarHBondContact O-N 3.41Å; D437-A440 PolarHBondContact O-N 2.61Å; A440-S442 VanDerWaalsContact C-N 3.33Å; A440-S442 PolarHBondContact O-N 3.26Å; A440-L443 PolarHBondContact O-N 2.71Å; A440-L443 VanDerWaalsContact O-N 3.17Å; A440-I444 WeakPolarHBondContact O-CG2 3.3Å; A440-I444 PolarHBondContact O-N 3.38Å; A440-F546 HydrophobicContact CB-CD1 4.21Å; A440-F546 HydrophobicContact CB-CG 4.35Å |
| 441 | K | 97.6 | Very high | 96.6 | Very high | 58 Ų | 58 | 28.1 Ų | 28.1 | 25% | 0.252 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -56.7 | -45 | 176.4 | -76.1 | -174.9 | 178.2 | -166 | 0 | 112.1 | D437 L443 I444 H445 G446 V544 F546 | D437-K441 WeakPolarHBondContact O-CB 3.4Å; D437-K441 WeakPolarHBondContact O-CG 3.46Å; D437-K441 PolarHBondContact O-N 3.19Å; K441-L443 VanDerWaalsContact C-N 3.32Å; K441-L443 PolarHBondContact O-N 2.63Å; K441-I444 WeakPolarHBondContact O-CG2 3.21Å; K441-I444 PolarHBondContact O-N 3.36Å; K441-H445 WeakPolarHBondContact CB-NE2 3.37Å; K441-H445 PolarHBondContact O-CE1 2.85Å; K441-H445 PolarHBondContact O-N 2.91Å; K441-H445 PolarHBondContact O-ND1 3.47Å; K441-G446 PolarHBondContact O-N 3.03Å; K441-V544 WeakPolarHBondContact CE-O 3.38Å; K441-V544 PolarHBondContact NZ-O 2.95Å; K441-F546 HydrophobicContact CG-CB 4.21Å; K441-F546 HydrophobicContact CG-CD2 3.71Å; K441-F546 HydrophobicContact CG-CG 4.32Å |
| 442 | S | 97.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 25.6 Ų | 25.6 | 6% | 0.063 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.4 | -31.7 | 178.8 | -173 | 0 | 0 | 0 | 0 | 113.6 | M438 Y439 A440 G446 R451 F462 | M438-S442 VanDerWaalsContact O-CB 3.28Å; M438-S442 WeakPolarHBondContact O-CB 3.19Å; M438-S442 PolarHBondContact O-N 2.97Å; Y439-S442 PolarHBondContact O-N 3.44Å; A440-S442 VanDerWaalsContact C-N 3.33Å; A440-S442 PolarHBondContact O-N 3.26Å; S442-G446 WeakPolarHBondContact O-CA 3.43Å; S442-G446 PolarHBondContact O-N 2.9Å; S442-R451 PolarHBondContact O-NH2 3.11Å; S442-F462 WeakPolarHBondContact OG-CE1 3.04Å; S442-F462 WeakPolarHBondContact OG-CZ 3.42Å |
| 443 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -78.7 | -36.5 | 176.3 | -68.3 | 173.6 | 0 | 0 | 0 | 113.2 | F255 A256 M257 Y439 A440 K441 I460 F462 N470 | F255-L443 HydrophobicContact CB-CB 3.76Å; F255-L443 HydrophobicContact CD2-CB 4Å; F255-L443 HydrophobicContact CD2-CD1 3.9Å; F255-L443 HydrophobicContact CG-CB 4.03Å; A256-L443 WeakPolarHBondContact O-CD1 3.29Å; M257-L443 HydrophobicContact CB-CD1 4.4Å; M257-L443 HydrophobicContact CG-CD1 3.65Å; Y439-L443 HydrophobicContact CD2-CD1 3.86Å; Y439-L443 HydrophobicContact CD2-CG 3.95Å; Y439-L443 HydrophobicContact CE1-CD1 4.44Å; Y439-L443 HydrophobicContact CE2-CD1 3.54Å; Y439-L443 HydrophobicContact CE2-CD2 4.07Å; Y439-L443 HydrophobicContact CE2-CG 3.83Å; Y439-L443 HydrophobicContact CG-CD1 4.44Å; Y439-L443 VanDerWaalsContact O-CG 3.3Å; Y439-L443 WeakPolarHBondContact O-CG 3.43Å; Y439-L443 PolarHBondContact O-N 2.98Å; A440-L443 PolarHBondContact O-N 2.71Å; A440-L443 VanDerWaalsContact O-N 3.17Å; K441-L443 VanDerWaalsContact C-N 3.32Å; K441-L443 PolarHBondContact O-N 2.63Å; L443-I460 HydrophobicContact CD2-CB 4.17Å; L443-I460 HydrophobicContact CD2-CD1 3.65Å; L443-I460 HydrophobicContact CD2-CG2 4.45Å; L443-F462 HydrophobicContact CD2-CE2 3.85Å; L443-F462 HydrophobicContact CD2-CZ 4.11Å; L443-N470 WeakPolarHBondContact O-CB 3.47Å; L443-N470 PolarHBondContact O-ND2 3.28Å; L443-N470 VanDerWaalsContact O-ND2 3.15Å |
| 444 | I | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -79.3 | -46.6 | -178 | -164 | 172.5 | 0 | 0 | 0 | 112.9 | F255 A440 K441 F453 N470 F546 | F255-I444 HydrophobicContact CD1-CB 3.7Å; F255-I444 HydrophobicContact CD1-CD1 4.16Å; F255-I444 HydrophobicContact CD1-CG1 4.13Å; F255-I444 HydrophobicContact CE1-CB 4.32Å; F255-I444 HydrophobicContact CE1-CD1 4.46Å; F255-I444 HydrophobicContact CG-CB 4.4Å; A440-I444 WeakPolarHBondContact O-CG2 3.3Å; A440-I444 PolarHBondContact O-N 3.38Å; K441-I444 WeakPolarHBondContact O-CG2 3.21Å; K441-I444 PolarHBondContact O-N 3.36Å; I444-F453 WeakPolarHBondContact O-CE1 3.21Å; I444-N470 PolarHBondContact O-ND2 2.79Å; I444-F546 HydrophobicContact CD1-CE2 4.15Å; I444-F546 HydrophobicContact CD1-CZ 3.62Å; I444-F546 HydrophobicContact CG2-CE2 3.72Å; I444-F546 HydrophobicContact CG2-CZ 4.07Å |
| 445 | H | 97.9 | Very high | 97.7 | Very high | 19 Ų | 19 | 16 Ų | 16 | 9% | 0.088 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -18.9 | -175.3 | 58.9 | 69.9 | 0 | 0 | 0 | 114.3 | M249 V250 K441 R447 C448 A541 | M249-H445 HydrophobicContact CE-CB 3.64Å; M249-H445 HydrophobicContact CG-CB 3.74Å; M249-H445 HydrophobicContact SD-CB 3.41Å; M249-H445 WeakPolarHBondContact SD-CB 3.17Å; V250-H445 HydrophobicContact CG2-CB 4.43Å; K441-H445 WeakPolarHBondContact CB-NE2 3.37Å; K441-H445 PolarHBondContact O-CE1 2.85Å; K441-H445 PolarHBondContact O-N 2.91Å; K441-H445 PolarHBondContact O-ND1 3.47Å; H445-R447 PolarHBondContact O-N 3.31Å; H445-C448 WeakPolarHBondContact O-CA 3.4Å; H445-C448 PolarHBondContact O-N 3.08Å; H445-A541 HydrophobicContact CB-CB 4.07Å |
| 446 | G | 97.1 | Very high | 97.7 | Very high | 16 Ų | 16 | 16 Ų | 16 | 17% | 0.165 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | -133.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | K441 S442 C448 | K441-G446 PolarHBondContact O-N 3.03Å; S442-G446 WeakPolarHBondContact O-CA 3.43Å; S442-G446 PolarHBondContact O-N 2.9Å; G446-C448 VanDerWaalsContact C-N 3.32Å |
| 447 | R | 97.6 | Very high | 97.8 | Very high | 78 Ų | 78 | 15.8 Ų | 15.8 | 29% | 0.294 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 15.8 | 171.6 | -59.6 | 175.8 | -144.4 | 158.5 | 17.1 | 112.9 | D421 D422 H445 Y449 D450 | D421-R447 IonicContact OD1-CZ 3.98Å; D421-R447 IonicContact OD1-NH2 3.89Å; D421-R447 PolarHBondContact OD1-NH2 3.07Å; D422-R447 IonicContact OD1-CZ 3.27Å; D422-R447 VanDerWaalsContact OD1-CZ 3.3Å; D422-R447 IonicContact OD1-NH1 2.68Å; D422-R447 PolarHBondContact OD1-NH1 2.89Å; D422-R447 VanDerWaalsContact OD1-NH1 3.08Å; D422-R447 IonicContact OD1-NH2 3.71Å; D422-R447 PolarHBondContact OD1-NH2 3.25Å; H445-R447 PolarHBondContact O-N 3.31Å; R447-Y449 HydrophobicContact CB-CD1 4.02Å; R447-Y449 HydrophobicContact CB-CE1 3.55Å; R447-Y449 HydrophobicContact CB-CE2 4.37Å; R447-Y449 WeakPolarHBondContact CD-OH 3.41Å; R447-Y449 WeakPolarHBondContact O-CD1 3.23Å; R447-Y449 WeakPolarHBondContact O-CE1 3.35Å; R447-Y449 PolarHBondContact O-N 3.45Å; R447-D450 PolarHBondContact N-OD1 3.47Å; R447-D450 PolarHBondContact N-OD2 3.44Å; R447-D450 IonicContact NE-OD2 3.5Å |
| 448 | C | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.02 | 7% | 0.072 | C | C | . | . | S | Bend | trans | 66.4 | -4 | -175.6 | -52.6 | 0 | 0 | 0 | 0 | 115.7 | M249 A382 A385 H445 G446 L534 A537 | M249-C448 HydrophobicContact SD-CB 4.21Å; A382-C448 WeakPolarHBondContact CA-O 3.46Å; A385-C448 HydrophobicContact CB-CB 4.48Å; A385-C448 WeakPolarHBondContact CB-O 3.47Å; H445-C448 WeakPolarHBondContact O-CA 3.4Å; H445-C448 PolarHBondContact O-N 3.08Å; G446-C448 VanDerWaalsContact C-N 3.32Å; C448-L534 HydrophobicContact CB-CD1 3.81Å; C448-A537 HydrophobicContact CB-CB 3.73Å |
| 449 | Y | 97.5 | Very high | 97.9 | Very high | 36 Ų | 36 | 11.1 Ų | 11.1 | 14% | 0.141 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -132.8 | -2.6 | 178 | 62.1 | -101.8 | 0 | 0 | 0 | 114.3 | Q378 K379 A381 R447 L534 | Q378-Y449 VanDerWaalsContact O-CD2 3.24Å; Q378-Y449 WeakPolarHBondContact O-CD2 3.35Å; K379-Y449 HydrophobicContact CB-CG 4.48Å; K379-Y449 HydrophobicContact CG-CD1 4.3Å; K379-Y449 HydrophobicContact CG-CG 4.27Å; A381-Y449 WeakPolarHBondContact CB-O 3.22Å; R447-Y449 HydrophobicContact CB-CD1 4.02Å; R447-Y449 HydrophobicContact CB-CE1 3.55Å; R447-Y449 HydrophobicContact CB-CE2 4.37Å; R447-Y449 WeakPolarHBondContact CD-OH 3.41Å; R447-Y449 WeakPolarHBondContact O-CD1 3.23Å; R447-Y449 WeakPolarHBondContact O-CE1 3.35Å; R447-Y449 PolarHBondContact O-N 3.45Å; Y449-L534 HydrophobicContact CD1-CD1 3.83Å; Y449-L534 HydrophobicContact CD1-CD2 4.22Å |
| 450 | D | 97.1 | Very high | 98 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -102.5 | 14.5 | -175.1 | 60.7 | -11.3 | 0 | 0 | 0 | 112.8 | Y337 T419 R447 | Y337-D450 HydrophobicContact CD1-CB 4.27Å; Y337-D450 HydrophobicContact CE1-CB 3.47Å; Y337-D450 VanDerWaalsContact CE1-CB 3.47Å; T419-D450 WeakPolarHBondContact CG2-O 3.44Å; T419-D450 PolarHBondContact OG1-O 2.93Å; T419-D450 VanDerWaalsContact OG1-O 3.08Å; R447-D450 PolarHBondContact N-OD1 3.47Å; R447-D450 PolarHBondContact N-OD2 3.44Å; R447-D450 IonicContact NE-OD2 3.5Å |
| 451 | R | 97.2 | Very high | 98 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -135 | 153.9 | 175.1 | -50.8 | -66.6 | 179.8 | -99.4 | 0.3 | 109.3 | A381 D421 S442 F453 | A381-R451 WeakPolarHBondContact CB-O 3.36Å; D421-R451 IonicContact OD2-CZ 3.43Å; D421-R451 IonicContact OD2-NH1 3.25Å; D421-R451 PolarHBondContact OD2-NH1 2.86Å; D421-R451 IonicContact OD2-NH2 3.06Å; D421-R451 PolarHBondContact OD2-NH2 3.2Å; S442-R451 PolarHBondContact O-NH2 3.11Å; R451-F453 HydrophobicContact CB-CD1 4.22Å; R451-F453 HydrophobicContact CB-CD2 4.36Å; R451-F453 HydrophobicContact CB-CE1 3.7Å; R451-F453 HydrophobicContact CB-CE2 3.89Å; R451-F453 HydrophobicContact CB-CZ 3.55Å; R451-F453 HydrophobicContact CG-CE1 4.01Å; R451-F453 HydrophobicContact CG-CZ 3.82Å |
| 452 | W | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 8.1 Ų | 8.1 | 2% | 0.015 | 4% | 0.039 | C | C | . | . | trans | -103.1 | 89.6 | 170.2 | -158.8 | -88.8 | 0 | 0 | 0 | 109.9 | Y342 A381 T384 W391 L408 I411 F417 D454 K455 T458 | Y342-W452 HydrophobicContact CE1-CE3 4.21Å; Y342-W452 HydrophobicContact CE1-CZ3 4.32Å; A381-W452 HydrophobicContact CB-CE3 3.93Å; A381-W452 HydrophobicContact CB-CZ3 4.21Å; T384-W452 HydrophobicContact CG2-CD2 3.89Å; T384-W452 HydrophobicContact CG2-CE3 4.19Å; T384-W452 HydrophobicContact CG2-CG 4.46Å; T384-W452 HydrophobicContact CG2-CH2 4.07Å; T384-W452 HydrophobicContact CG2-CZ2 3.74Å; T384-W452 HydrophobicContact CG2-CZ3 4.28Å; W391-W452 HydrophobicContact CZ2-CH2 4.49Å; W391-W452 HydrophobicContact CZ2-CZ2 4.15Å; L408-W452 HydrophobicContact CD1-CH2 3.72Å; L408-W452 HydrophobicContact CD1-CZ2 3.47Å; L408-W452 VanDerWaalsContact CD1-CZ2 3.47Å; I411-W452 HydrophobicContact CD1-CE3 4.09Å; I411-W452 HydrophobicContact CD1-CH2 3.92Å; I411-W452 HydrophobicContact CD1-CZ2 4.42Å; I411-W452 HydrophobicContact CD1-CZ3 3.74Å; I411-W452 HydrophobicContact CG2-CD2 3.5Å; I411-W452 VanDerWaalsContact CG2-CE2 3.43Å; I411-W452 HydrophobicContact CG2-CE3 4.06Å; I411-W452 HydrophobicContact CG2-CG 3.76Å; I411-W452 HydrophobicContact CG2-CH2 4.44Å; I411-W452 HydrophobicContact CG2-CZ2 3.94Å; I411-W452 HydrophobicContact CG2-CZ3 4.49Å; F417-W452 HydrophobicContact CB-CB 4.39Å; F417-W452 HydrophobicContact CD1-CB 3.84Å; F417-W452 HydrophobicContact CD2-CB 3.8Å; F417-W452 HydrophobicContact CD2-CG 4.35Å; F417-W452 HydrophobicContact CE1-CB 3.98Å; F417-W452 HydrophobicContact CE2-CB 3.93Å; F417-W452 HydrophobicContact CE2-CG 4.4Å; F417-W452 HydrophobicContact CG-CB 3.75Å; F417-W452 HydrophobicContact CZ-CB 4.01Å; W452-D454 PolarHBondContact O-N 3.14Å; W452-D454 VanDerWaalsContact O-N 3.16Å; W452-K455 WeakPolarHBondContact O-CB 3.39Å; W452-K455 PolarHBondContact O-N 2.94Å; W452-T458 PolarHBondContact O-OG1 3.05Å | ||
| 453 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.3 | -169.6 | -64.4 | -71.5 | 0 | 0 | 0 | 114.1 | I248 M249 N253 T384 A385 I444 R451 K455 | I248-F453 HydrophobicContact CD1-CB 4.48Å; I248-F453 HydrophobicContact CG1-CB 4.49Å; M249-F453 HydrophobicContact CB-CD1 3.99Å; M249-F453 HydrophobicContact CB-CD2 4.35Å; M249-F453 HydrophobicContact CB-CE1 4.06Å; M249-F453 HydrophobicContact CB-CE2 4.39Å; M249-F453 HydrophobicContact CB-CG 4.14Å; M249-F453 HydrophobicContact CB-CZ 4.23Å; M249-F453 HydrophobicContact CG-CD1 3.9Å; M249-F453 HydrophobicContact CG-CD2 4.47Å; M249-F453 HydrophobicContact CG-CE1 3.44Å; M249-F453 VanDerWaalsContact CG-CE1 3.44Å; M249-F453 HydrophobicContact CG-CE2 4.05Å; M249-F453 HydrophobicContact CG-CG 4.39Å; M249-F453 HydrophobicContact CG-CZ 3.5Å; M249-F453 HydrophobicContact SD-CE1 4.06Å; M249-F453 HydrophobicContact SD-CE2 3.76Å; M249-F453 HydrophobicContact SD-CZ 3.45Å; M249-F453 WeakPolarHBondContact SD-CZ 3.24Å; N253-F453 PolarHBondContact ND2-O 3.46Å; T384-F453 WeakPolarHBondContact OG1-CD2 3.39Å; T384-F453 PolarHBondContact OG1-N 2.8Å; A385-F453 HydrophobicContact CB-CD2 3.57Å; A385-F453 HydrophobicContact CB-CE2 3.49Å; A385-F453 VanDerWaalsContact CB-CE2 3.49Å; I444-F453 WeakPolarHBondContact O-CE1 3.21Å; R451-F453 HydrophobicContact CB-CD1 4.22Å; R451-F453 HydrophobicContact CB-CD2 4.36Å; R451-F453 HydrophobicContact CB-CE1 3.7Å; R451-F453 HydrophobicContact CB-CE2 3.89Å; R451-F453 HydrophobicContact CB-CZ 3.55Å; R451-F453 HydrophobicContact CG-CE1 4.01Å; R451-F453 HydrophobicContact CG-CZ 3.82Å; F453-K455 VanDerWaalsContact C-N 3.32Å |
| 454 | D | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.011 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -12.6 | 175.2 | -76.7 | -16.7 | 0 | 0 | 0 | 113.7 | S315 R316 R388 W391 W452 | S315-D454 CarbonylContact C-O 3.57Å; S315-D454 WeakPolarHBondContact CA-O 3.42Å; R316-D454 HydrophobicContact CB-CB 4.38Å; R316-D454 PolarHBondContact N-O 3.49Å; R316-D454 WeakPolarHBondContact O-CB 3.3Å; R388-D454 IonicContact CZ-OD1 2.64Å; R388-D454 IonicContact NH1-OD1 3.73Å; R388-D454 PolarHBondContact NH1-OD1 3.08Å; R388-D454 IonicContact NH2-OD1 3.37Å; R388-D454 PolarHBondContact NH2-OD1 2.93Å; R388-D454 IonicContact NH2-OD2 2.67Å; W391-D454 PolarHBondContact NE1-OD2 3.45Å; W452-D454 PolarHBondContact O-N 3.14Å; W452-D454 VanDerWaalsContact O-N 3.16Å |
| 455 | K | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | B | Isolated β-bridge | trans | -76.8 | 143.1 | 178.7 | -159.1 | 75 | -168.1 | 171.5 | 0 | 109.7 | T314 S315 I411 E412 A414 F417 W452 F453 F457 E472 | T314-K455 WeakPolarHBondContact O-CE 3.28Å; S315-K455 PolarHBondContact OG-NZ 3.02Å; I411-K455 PolarHBondContact O-NZ 2.98Å; I411-K455 VanDerWaalsContact O-NZ 3.09Å; E412-K455 PolarHBondContact O-NZ 3.33Å; A414-K455 WeakPolarHBondContact O-CE 3.46Å; A414-K455 PolarHBondContact O-NZ 3.47Å; F417-K455 HydrophobicContact CB-CB 4.11Å; F417-K455 HydrophobicContact CB-CD 4.43Å; F417-K455 HydrophobicContact CB-CG 3.88Å; W452-K455 WeakPolarHBondContact O-CB 3.39Å; W452-K455 PolarHBondContact O-N 2.94Å; F453-K455 VanDerWaalsContact C-N 3.32Å; K455-F457 WeakPolarHBondContact CG-O 3.4Å; K455-F457 PolarHBondContact O-N 2.77Å; K455-E472 WeakPolarHBondContact O-CB 3.42Å |
| 456 | T | 97 | Very high | 97.9 | Very high | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.012 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -47.6 | -40.6 | 175.9 | 45.7 | 0 | 0 | 0 | 0 | 113.3 | R310 M311 T314 A471 E472 W475 | R310-T456 WeakPolarHBondContact O-CG2 3.43Å; M311-T456 PolarHBondContact O-OG1 3.37Å; T314-T456 VanDerWaalsContact CB-CG2 3.44Å; T314-T456 HydrophobicContact CG2-CG2 3.98Å; T456-A471 WeakPolarHBondContact O-CA 3.4Å; T456-E472 PolarHBondContact O-N 3.11Å; T456-E472 VanDerWaalsContact O-N 3.09Å; T456-W475 HydrophobicContact CG2-CD2 3.98Å; T456-W475 HydrophobicContact CG2-CG 3.91Å; T456-W475 PolarHBondContact O-NE1 2.99Å |
| 457 | F | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 152.8 | 161.2 | 65.7 | -85.6 | 0 | 0 | 0 | 112 | I279 M311 F312 F416 F417 K455 L469 N470 A471 L484 | I279-F457 HydrophobicContact CG2-CZ 4.31Å; M311-F457 HydrophobicContact CG-CE1 4.43Å; F312-F457 HydrophobicContact CD1-CE1 4.01Å; F312-F457 HydrophobicContact CD1-CZ 4.02Å; F312-F457 AromaticContact CE1-CE1 3.88Å; F312-F457 HydrophobicContact CE1-CE1 3.88Å; F312-F457 AromaticContact CE1-CZ 3.61Å; F312-F457 HydrophobicContact CE1-CZ 3.61Å; F312-F457 HydrophobicContact CZ-CZ 4.44Å; F416-F457 HydrophobicContact CB-CD2 4.2Å; F416-F457 HydrophobicContact CB-CE1 3.97Å; F416-F457 HydrophobicContact CB-CE2 3.51Å; F416-F457 HydrophobicContact CB-CZ 3.38Å; F416-F457 HydrophobicContact CD1-CZ 4.15Å; F416-F457 AromaticContact CD2-CE2 3.89Å; F416-F457 HydrophobicContact CD2-CE2 3.89Å; F416-F457 HydrophobicContact CD2-CZ 4.31Å; F416-F457 AromaticContact CG-CE2 3.75Å; F416-F457 HydrophobicContact CG-CE2 3.75Å; F416-F457 AromaticContact CG-CZ 3.72Å; F416-F457 HydrophobicContact CG-CZ 3.72Å; F417-F457 PolarHBondContact N-O 3.32Å; K455-F457 WeakPolarHBondContact CG-O 3.4Å; K455-F457 PolarHBondContact O-N 2.77Å; F457-L469 HydrophobicContact CD2-CD2 3.96Å; F457-N470 CarbonylContact C-O 3.5Å; F457-N470 WeakPolarHBondContact CA-O 3.4Å; F457-N470 VanDerWaalsContact CB-O 3.32Å; F457-N470 WeakPolarHBondContact CB-O 3.39Å; F457-A471 HydrophobicContact CB-CB 4.32Å; F457-L484 HydrophobicContact CD1-CD2 4.46Å; F457-L484 HydrophobicContact CE1-CD2 3.98Å; F457-L484 HydrophobicContact CE2-CD2 4.45Å; F457-L484 HydrophobicContact CZ-CD2 3.96Å |
| 458 | T | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.1 | 167.7 | -67.2 | 0 | 0 | 0 | 0 | 108.8 | F417 W452 I460 L469 N470 | F417-T458 HydrophobicContact CD1-CG2 3.75Å; F417-T458 CarbonylContact O-C 3.6Å; F417-T458 WeakPolarHBondContact O-CA 3.27Å; W452-T458 PolarHBondContact O-OG1 3.05Å; T458-I460 HydrophobicContact CG2-CG1 3.99Å; T458-L469 WeakPolarHBondContact O-CA 3.49Å; T458-N470 PolarHBondContact N-O 3.06Å; T458-N470 PolarHBondContact O-N 2.91Å |
| 459 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 126.8 | 166.6 | 170.3 | 70 | 0 | 0 | 0 | 108.9 | I275 I276 I279 F416 F417 V418 T419 V461 L469 W485 | I275-L459 HydrophobicContact CG1-CD1 4.48Å; I275-L459 HydrophobicContact CG2-CD1 4.22Å; I275-L459 HydrophobicContact CG2-CD2 3.56Å; I275-L459 HydrophobicContact CG2-CG 4.48Å; I276-L459 HydrophobicContact CG1-CD2 3.81Å; I279-L459 HydrophobicContact CD1-CD2 4.02Å; F416-L459 HydrophobicContact CE2-CD2 4.39Å; F417-L459 PolarHBondContact O-N 2.78Å; V418-L459 CarbonylContact C-O 3.56Å; V418-L459 VanDerWaalsContact CA-O 3.28Å; V418-L459 WeakPolarHBondContact CA-O 3.42Å; V418-L459 HydrophobicContact CG1-CD2 4.27Å; V418-L459 HydrophobicContact CG2-CB 4.34Å; V418-L459 HydrophobicContact CG2-CD2 4.21Å; T419-L459 PolarHBondContact N-O 3.46Å; L459-V461 HydrophobicContact CD1-CG2 4.36Å; L459-V461 HydrophobicContact CD2-CG2 4.15Å; L459-V461 HydrophobicContact CG-CG2 4.01Å; L459-L469 HydrophobicContact CB-CD2 4.24Å; L459-L469 HydrophobicContact CD1-CD2 4.08Å; L459-W485 HydrophobicContact CD1-CH2 4.03Å; L459-W485 HydrophobicContact CD1-CZ3 4Å |
| 460 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 126.3 | 179.6 | -56 | 158.7 | 0 | 0 | 0 | 107 | D421 L443 T458 F462 M467 G468 N470 | D421-I460 HydrophobicContact CB-CG2 4.48Å; L443-I460 HydrophobicContact CD2-CB 4.17Å; L443-I460 HydrophobicContact CD2-CD1 3.65Å; L443-I460 HydrophobicContact CD2-CG2 4.45Å; T458-I460 HydrophobicContact CG2-CG1 3.99Å; I460-F462 HydrophobicContact CG2-CD2 4.34Å; I460-F462 HydrophobicContact CG2-CE1 4.03Å; I460-F462 HydrophobicContact CG2-CE2 3.71Å; I460-F462 HydrophobicContact CG2-CZ 3.56Å; I460-M467 CarbonylContact O-C 2.97Å; I460-M467 WeakPolarHBondContact O-CA 2.93Å; I460-M467 WeakPolarHBondContact O-CB 3.38Å; I460-G468 PolarHBondContact N-O 2.95Å; I460-G468 PolarHBondContact O-N 3.4Å; I460-N470 HydrophobicContact CD1-CB 4.3Å |
| 461 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 115.1 | 175.9 | -167.9 | 0 | 0 | 0 | 0 | 107.7 | Q268 R271 A272 T419 L420 D421 L459 M467 | Q268-V461 HydrophobicContact CG-CG1 3.99Å; Q268-V461 PolarHBondContact NE2-O 3.45Å; R271-V461 HydrophobicContact CB-CG1 4.18Å; R271-V461 HydrophobicContact CG-CG1 4.33Å; A272-V461 HydrophobicContact CB-CG1 4.38Å; A272-V461 HydrophobicContact CB-CG2 4.14Å; T419-V461 PolarHBondContact O-N 2.86Å; L420-V461 HydrophobicContact CD2-CB 4.16Å; L420-V461 HydrophobicContact CD2-CG2 4.49Å; D421-V461 PolarHBondContact N-O 3.48Å; L459-V461 HydrophobicContact CD1-CG2 4.36Å; L459-V461 HydrophobicContact CD2-CG2 4.15Å; L459-V461 HydrophobicContact CG-CG2 4.01Å; V461-M467 HydrophobicContact CG2-CB 4.46Å |
| 462 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.042 | C | C | . | . | trans | -79.2 | 161.9 | -179.3 | -66.1 | -76.5 | 0 | 0 | 0 | 111.7 | Q268 D421 I423 Q425 Y439 S442 L443 I460 N464 G465 K466 | Q268-F462 WeakPolarHBondContact CG-O 3.26Å; D421-F462 HydrophobicContact CB-CD1 3.79Å; D421-F462 HydrophobicContact CB-CE1 4.07Å; I423-F462 HydrophobicContact CD1-CE1 4.37Å; I423-F462 HydrophobicContact CG1-CD1 3.93Å; I423-F462 HydrophobicContact CG1-CE1 4.09Å; I423-F462 WeakPolarHBondContact O-CB 3.29Å; Q425-F462 HydrophobicContact CB-CD1 3.78Å; Q425-F462 HydrophobicContact CB-CD2 3.94Å; Q425-F462 HydrophobicContact CB-CE1 3.84Å; Q425-F462 HydrophobicContact CB-CE2 4.01Å; Q425-F462 HydrophobicContact CB-CG 3.84Å; Q425-F462 HydrophobicContact CB-CZ 3.94Å; Q425-F462 HydrophobicContact CG-CD1 3.57Å; Q425-F462 HydrophobicContact CG-CE1 3.36Å; Q425-F462 HydrophobicContact CG-CE2 4.37Å; Q425-F462 HydrophobicContact CG-CG 4.17Å; Q425-F462 HydrophobicContact CG-CZ 3.79Å; Y439-F462 HydrophobicContact CD2-CE2 4.01Å; Y439-F462 HydrophobicContact CD2-CZ 4.4Å; Y439-F462 HydrophobicContact CE2-CD2 4.2Å; Y439-F462 AromaticContact CE2-CE2 3.65Å; Y439-F462 HydrophobicContact CE2-CE2 3.65Å; Y439-F462 HydrophobicContact CE2-CZ 4.44Å; S442-F462 WeakPolarHBondContact OG-CE1 3.04Å; S442-F462 WeakPolarHBondContact OG-CZ 3.42Å; L443-F462 HydrophobicContact CD2-CE2 3.85Å; L443-F462 HydrophobicContact CD2-CZ 4.11Å; I460-F462 HydrophobicContact CG2-CD2 4.34Å; I460-F462 HydrophobicContact CG2-CE1 4.03Å; I460-F462 HydrophobicContact CG2-CE2 3.71Å; I460-F462 HydrophobicContact CG2-CZ 3.56Å; F462-N464 WeakPolarHBondContact CB-OD1 3.34Å; F462-N464 PolarHBondContact O-N 3.5Å; F462-G465 PolarHBondContact O-N 2.86Å; F462-K466 HydrophobicContact CB-CB 4.46Å; F462-K466 WeakPolarHBondContact CB-O 3.42Å; F462-K466 HydrophobicContact CD2-CB 4.33Å; F462-K466 WeakPolarHBondContact CD2-O 3.41Å; F462-K466 PolarHBondContact N-O 3.25Å | ||
| 463 | K | 98.2 | Very high | 97.9 | Very high | 116 Ų | 116 | 10.9 Ų | 10.9 | 50% | 0.504 | 5% | 0.051 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -33.3 | -176.3 | -176.6 | -175.8 | 176.2 | -166.1 | 0 | 113.4 | D421 I423 E424 G465 | D421-K463 PolarHBondContact O-N 3.44Å; I423-K463 WeakPolarHBondContact O-CB 3.47Å; I423-K463 PolarHBondContact O-N 2.99Å; E424-K463 HydrophobicContact CG-CB 3.96Å; E424-K463 HydrophobicContact CG-CD 4.3Å; E424-K463 HydrophobicContact CG-CG 4.41Å; K463-G465 VanDerWaalsContact C-N 3.3Å; K463-G465 PolarHBondContact O-N 3.33Å |
| 464 | N | 96.8 | Very high | 97.8 | Very high | 42 Ų | 42 | 10.9 Ų | 10.9 | 23% | 0.225 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 10.5 | 177.7 | 65.6 | -14.5 | 0 | 0 | 0 | 114.1 | T266 E424 Q425 F462 K466 | T266-N464 WeakPolarHBondContact CA-O 3.34Å; T266-N464 CarbonylContact O-C 3.5Å; E424-N464 HydrophobicContact CB-CB 4.14Å; E424-N464 HydrophobicContact CG-CB 3.84Å; Q425-N464 PolarHBondContact O-ND2 3.34Å; Q425-N464 PolarHBondContact O-OD1 3.26Å; F462-N464 WeakPolarHBondContact CB-OD1 3.34Å; F462-N464 PolarHBondContact O-N 3.5Å; N464-K466 VanDerWaalsContact C-N 3.28Å; N464-K466 PolarHBondContact O-N 3.06Å; N464-K466 PolarHBondContact OD1-N 3.37Å |
| 465 | G | 96.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 11.1 Ų | 11.1 | 2% | 0.021 | 5% | 0.052 | C | C | . | . | S | Bend | trans | 78.8 | 1.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R271 F462 K463 | R271-G465 VanDerWaalsContact CD-O 3.3Å; R271-G465 WeakPolarHBondContact CD-O 3.34Å; R271-G465 WeakPolarHBondContact CG-O 3.41Å; R271-G465 PolarHBondContact NE-O 3.49Å; F462-G465 PolarHBondContact O-N 2.86Å; K463-G465 VanDerWaalsContact C-N 3.3Å; K463-G465 PolarHBondContact O-N 3.33Å |
| 466 | K | 96.4 | Very high | 97.3 | Very high | 17 Ų | 17 | 11.1 Ų | 11.1 | 7% | 0.074 | 5% | 0.052 | C | C | . | . | trans | -68.9 | 154.6 | 165.2 | -74.3 | -67.6 | -168.8 | 178.7 | 0 | 110 | F259 L260 L262 Q425 F462 N464 | F259-K466 PolarHBondContact O-NZ 3.2Å; L260-K466 PolarHBondContact O-NZ 2.91Å; L262-K466 PolarHBondContact O-NZ 3.26Å; Q425-K466 VanDerWaalsContact O-CB 3.3Å; Q425-K466 WeakPolarHBondContact O-CB 3.37Å; Q425-K466 VanDerWaalsContact O-CG 3.24Å; Q425-K466 WeakPolarHBondContact O-CG 3.07Å; F462-K466 HydrophobicContact CB-CB 4.46Å; F462-K466 WeakPolarHBondContact CB-O 3.42Å; F462-K466 HydrophobicContact CD2-CB 4.33Å; F462-K466 WeakPolarHBondContact CD2-O 3.41Å; F462-K466 PolarHBondContact N-O 3.25Å; N464-K466 VanDerWaalsContact C-N 3.28Å; N464-K466 PolarHBondContact O-N 3.06Å; N464-K466 PolarHBondContact OD1-N 3.37Å | ||
| 467 | M | 96.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 174.7 | -175.2 | 59.8 | -175.5 | 176.8 | 0 | 0 | 113.1 | D258 R271 I275 Y439 I460 V461 W485 M489 | D258-M467 HydrophobicContact CB-CG 4.1Å; D258-M467 WeakPolarHBondContact CB-O 3.5Å; D258-M467 PolarHBondContact N-O 3.15Å; D258-M467 WeakPolarHBondContact OD1-CE 3.5Å; D258-M467 WeakPolarHBondContact OD2-CG 3.16Å; R271-M467 HydrophobicContact CG-SD 4.17Å; R271-M467 VanDerWaalsContact CZ-CE 3.43Å; I275-M467 HydrophobicContact CB-SD 4.03Å; I275-M467 HydrophobicContact CD1-CE 3.44Å; I275-M467 VanDerWaalsContact CD1-CE 3.44Å; I275-M467 HydrophobicContact CD1-SD 3.65Å; I275-M467 HydrophobicContact CG1-CE 4.09Å; I275-M467 HydrophobicContact CG1-SD 3.58Å; I275-M467 VanDerWaalsContact CG1-SD 3.58Å; I275-M467 HydrophobicContact CG2-SD 4.29Å; Y439-M467 PolarHBondContact OH-O 3.03Å; I460-M467 CarbonylContact O-C 2.97Å; I460-M467 WeakPolarHBondContact O-CA 2.93Å; I460-M467 WeakPolarHBondContact O-CB 3.38Å; V461-M467 HydrophobicContact CG2-CB 4.46Å; M467-W485 HydrophobicContact CB-CH2 4.46Å; M467-W485 HydrophobicContact CE-CH2 4.29Å; M467-W485 HydrophobicContact CE-CZ2 4.49Å; M467-W485 HydrophobicContact CG-CH2 3.89Å; M467-W485 HydrophobicContact CG-CZ2 4.12Å; M467-W485 HydrophobicContact SD-CH2 4.01Å; M467-M489 HydrophobicContact CE-CG 4.03Å |
| 468 | G | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.2 | -175.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A256 I460 | A256-G468 CarbonylContact O-C 3.58Å; A256-G468 WeakPolarHBondContact O-CA 3.47Å; I460-G468 PolarHBondContact N-O 2.95Å; I460-G468 PolarHBondContact O-N 3.4Å |
| 469 | L | 97.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 145.1 | 179.1 | -59.8 | -178.5 | 0 | 0 | 0 | 111.1 | F255 A256 F457 T458 L459 V481 W485 | F255-L469 CarbonylContact C-O 3.54Å; F255-L469 WeakPolarHBondContact CA-O 3.46Å; F255-L469 VanDerWaalsContact CB-O 3.29Å; F255-L469 WeakPolarHBondContact CB-O 3.3Å; A256-L469 HydrophobicContact CB-CB 4.26Å; A256-L469 PolarHBondContact N-O 2.93Å; A256-L469 PolarHBondContact O-N 2.63Å; F457-L469 HydrophobicContact CD2-CD2 3.96Å; T458-L469 WeakPolarHBondContact O-CA 3.49Å; L459-L469 HydrophobicContact CB-CD2 4.24Å; L459-L469 HydrophobicContact CD1-CD2 4.08Å; L469-V481 HydrophobicContact CD1-CG1 3.72Å; L469-W485 HydrophobicContact CD1-CB 4.24Å; L469-W485 HydrophobicContact CD1-CD2 3.76Å; L469-W485 HydrophobicContact CD1-CE3 3.43Å; L469-W485 VanDerWaalsContact CD1-CE3 3.43Å; L469-W485 HydrophobicContact CD1-CG 4.13Å; L469-W485 HydrophobicContact CD1-CZ3 4.04Å; L469-W485 HydrophobicContact CD2-CE3 3.88Å; L469-W485 HydrophobicContact CD2-CH2 4.17Å; L469-W485 HydrophobicContact CD2-CZ3 3.57Å; L469-W485 HydrophobicContact CG-CD2 3.92Å; L469-W485 HydrophobicContact CG-CE3 3.54Å; L469-W485 HydrophobicContact CG-CH2 4.09Å; L469-W485 HydrophobicContact CG-CZ2 4.42Å; L469-W485 HydrophobicContact CG-CZ3 3.63Å |
| 470 | N | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 137.3 | 154.1 | -175.2 | -87.4 | 0 | 0 | 0 | 107.8 | N253 Y254 L443 I444 F457 T458 I460 | N253-N470 PolarHBondContact ND2-OD1 3.04Å; Y254-N470 CarbonylContact O-C 3.5Å; L443-N470 WeakPolarHBondContact O-CB 3.47Å; L443-N470 PolarHBondContact O-ND2 3.28Å; L443-N470 VanDerWaalsContact O-ND2 3.15Å; I444-N470 PolarHBondContact O-ND2 2.79Å; F457-N470 CarbonylContact C-O 3.5Å; F457-N470 WeakPolarHBondContact CA-O 3.4Å; F457-N470 VanDerWaalsContact CB-O 3.32Å; F457-N470 WeakPolarHBondContact CB-O 3.39Å; T458-N470 PolarHBondContact N-O 3.06Å; T458-N470 PolarHBondContact O-N 2.91Å; I460-N470 HydrophobicContact CD1-CB 4.3Å |
| 471 | A | 98.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.008 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 131.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N253 Y254 T456 F457 V481 | N253-A471 VanDerWaalsContact CA-O 3.23Å; N253-A471 WeakPolarHBondContact CA-O 3.39Å; N253-A471 WeakPolarHBondContact CB-O 3.46Å; Y254-A471 HydrophobicContact CD2-CB 4.05Å; Y254-A471 HydrophobicContact CE1-CB 4.19Å; Y254-A471 HydrophobicContact CE2-CB 3.58Å; Y254-A471 PolarHBondContact N-O 3.38Å; Y254-A471 VanDerWaalsContact N-O 3.12Å; Y254-A471 PolarHBondContact O-N 3.5Å; T456-A471 WeakPolarHBondContact O-CA 3.4Å; F457-A471 HydrophobicContact CB-CB 4.32Å; A471-V481 HydrophobicContact CB-CG2 4.34Å |
| 472 | E | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | trans | -75.3 | 133 | 171.5 | -164.3 | -72.6 | 137.4 | 0 | 0 | 109.5 | I248 N253 R316 K455 T456 S474 W475 | I248-E472 HydrophobicContact CD1-CG 4.32Å; N253-E472 WeakPolarHBondContact OD1-CA 3.43Å; R316-E472 HydrophobicContact CB-CG 4.32Å; R316-E472 WeakPolarHBondContact CD-OE1 3.13Å; R316-E472 IonicContact NH1-OE1 3.53Å; R316-E472 PolarHBondContact NH1-OE1 3.24Å; K455-E472 WeakPolarHBondContact O-CB 3.42Å; T456-E472 PolarHBondContact O-N 3.11Å; T456-E472 VanDerWaalsContact O-N 3.09Å; E472-S474 WeakPolarHBondContact OE1-CB 3.24Å; E472-S474 PolarHBondContact OE1-N 2.67Å; E472-S474 PolarHBondContact OE1-OG 2.56Å; E472-S474 WeakPolarHBondContact OE2-CB 3.47Å; E472-S474 PolarHBondContact OE2-N 2.64Å; E472-S474 VanDerWaalsContact OE2-N 3.14Å; E472-S474 PolarHBondContact OE2-OG 3.47Å; E472-W475 PolarHBondContact O-NE1 3.14Å | ||
| 473 | H | 97 | Very high | 95.9 | Very high | 45 Ų | 45 | 15.1 Ų | 15.1 | 21% | 0.208 | 8% | 0.081 | C | C | . | . | S | Bend | trans | -92.6 | -17.3 | -163.2 | -161.7 | -8.1 | 0 | 0 | 0 | 114.8 | Y241 S252 Y254 W475 A476 D477 R601 | Y241-H473 HydrophobicContact CD1-CB 4.4Å; Y241-H473 HydrophobicContact CE1-CB 4.07Å; Y241-H473 AromaticContact CE1-CG 3.84Å; S252-H473 VanDerWaalsContact O-CB 3.26Å; S252-H473 WeakPolarHBondContact O-CB 3.43Å; Y254-H473 HydrophobicContact CD1-CB 4.03Å; Y254-H473 AromaticContact CD1-CD2 3.86Å; Y254-H473 AromaticContact CD1-CG 3.81Å; Y254-H473 HydrophobicContact CE1-CB 3.94Å; Y254-H473 AromaticContact CE1-CG 3.68Å; Y254-H473 AromaticContact CE1-ND1 3.72Å; H473-W475 VanDerWaalsContact C-N 3.27Å; H473-W475 PolarHBondContact O-N 2.97Å; H473-A476 PolarHBondContact ND1-O 3.44Å; H473-A476 PolarHBondContact O-N 3.46Å; H473-D477 IonicContact CE1-OD1 3.86Å; H473-R601 PolarHBondContact O-NH2 3.16Å |
| 474 | S | 95.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -62.3 | -32.4 | -171.7 | 71.3 | 0 | 0 | 0 | 0 | 113.5 | Y241 L325 E472 R601 | Y241-S474 VanDerWaalsContact CB-CB 3.45Å; L325-S474 WeakPolarHBondContact CD2-OG 3.49Å; E472-S474 WeakPolarHBondContact OE1-CB 3.24Å; E472-S474 PolarHBondContact OE1-N 2.67Å; E472-S474 PolarHBondContact OE1-OG 2.56Å; E472-S474 WeakPolarHBondContact OE2-CB 3.47Å; E472-S474 PolarHBondContact OE2-N 2.64Å; E472-S474 VanDerWaalsContact OE2-N 3.14Å; E472-S474 PolarHBondContact OE2-OG 3.47Å; S474-R601 PolarHBondContact O-NH1 3Å |
| 475 | W | 94 | Very high | 95.7 | Very high | 6 Ų | 6 | 8 Ų | 8 | 2% | 0.023 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -87.5 | -27.8 | -175.8 | 69.8 | -81.3 | 0 | 0 | 0 | 114.9 | Q307 R310 M311 L325 T456 E472 H473 I480 V481 R601 | Q307-W475 VanDerWaalsContact O-CZ3 3.29Å; Q307-W475 WeakPolarHBondContact O-CZ3 3.48Å; R310-W475 HydrophobicContact CB-CB 4.22Å; R310-W475 HydrophobicContact CB-CE3 4.15Å; M311-W475 HydrophobicContact CB-CH2 3.82Å; M311-W475 HydrophobicContact CB-CZ3 3.69Å; M311-W475 HydrophobicContact CE-CH2 4.41Å; M311-W475 HydrophobicContact CG-CH2 3.83Å; M311-W475 HydrophobicContact CG-CZ3 4.23Å; L325-W475 HydrophobicContact CD1-CB 3.88Å; L325-W475 HydrophobicContact CD2-CB 4.48Å; T456-W475 HydrophobicContact CG2-CD2 3.98Å; T456-W475 HydrophobicContact CG2-CG 3.91Å; T456-W475 PolarHBondContact O-NE1 2.99Å; E472-W475 PolarHBondContact O-NE1 3.14Å; H473-W475 VanDerWaalsContact C-N 3.27Å; H473-W475 PolarHBondContact O-N 2.97Å; W475-I480 HydrophobicContact CH2-CG2 4.43Å; W475-I480 HydrophobicContact CZ3-CG2 4.27Å; W475-V481 HydrophobicContact CH2-CG2 3.93Å; W475-V481 HydrophobicContact CZ2-CG2 3.76Å; W475-R601 PolarHBondContact O-NH1 3.1Å |
| 476 | A | 94.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 5% | 0.049 | C | C | . | . | trans | -156.3 | 165.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q307 H473 I480 R601 | Q307-A476 HydrophobicContact CB-CB 4.02Å; H473-A476 PolarHBondContact ND1-O 3.44Å; H473-A476 PolarHBondContact O-N 3.46Å; A476-I480 HydrophobicContact CB-CB 4.14Å; A476-I480 HydrophobicContact CB-CG1 4.23Å; A476-I480 HydrophobicContact CB-CG2 4.3Å; A476-R601 PolarHBondContact O-NH2 2.81Å | ||
| 477 | D | 94.9 | Very high | 95.4 | Very high | 12 Ų | 12 | 9.2 Ų | 9.2 | 6% | 0.064 | 6% | 0.055 | C | C | . | . | trans | -95.7 | 156 | 176.1 | -49.3 | -47.7 | 0 | 0 | 0 | 111.4 | Q307 H473 P479 I480 R601 | Q307-D477 PolarHBondContact NE2-OD2 3.49Å; Q307-D477 PolarHBondContact OE1-OD2 3.26Å; H473-D477 IonicContact CE1-OD1 3.86Å; D477-P479 VanDerWaalsContact C-N 3.33Å; D477-P479 VanDerWaalsContact O-N 3.1Å; D477-I480 WeakPolarHBondContact O-CB 3.3Å; D477-I480 WeakPolarHBondContact O-CG1 3.28Å; D477-I480 PolarHBondContact O-N 3.45Å; D477-R601 IonicContact OD1-CZ 2.71Å; D477-R601 VanDerWaalsContact OD1-CZ 3.23Å; D477-R601 IonicContact OD1-NE 3.29Å; D477-R601 PolarHBondContact OD1-NE 2.95Å; D477-R601 IonicContact OD1-NH2 2.81Å; D477-R601 PolarHBondContact OD1-NH2 2.92Å; D477-R601 WeakPolarHBondContact OD2-CA 3.38Å; D477-R601 WeakPolarHBondContact OD2-CD 3.44Å; D477-R601 IonicContact OD2-NE 2.95Å; D477-R601 PolarHBondContact OD2-NE 3.39Å; D477-R601 VanDerWaalsContact OD2-NE 3.1Å | ||
| 478 | A | 93.4 | Very high | 95.3 | Very high | 23 Ų | 23 | 9.3 Ų | 9.3 | 19% | 0.19 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -48.2 | -39.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y254 I480 V481 G482 | Y254-A478 HydrophobicContact CD2-CB 4.43Å; Y254-A478 HydrophobicContact CE2-CB 4.08Å; A478-I480 PolarHBondContact O-N 3.34Å; A478-I480 VanDerWaalsContact O-N 3.08Å; A478-V481 PolarHBondContact O-N 2.99Å; A478-V481 VanDerWaalsContact O-N 3.14Å; A478-G482 PolarHBondContact O-N 2.78Å |
| 479 | P | 92.6 | Very high | 95.1 | Very high | 31 Ų | 31 | 9.3 Ų | 9.3 | 20% | 0.201 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60 | -22.2 | 178.6 | -26.7 | 36.3 | 0 | 0 | 0 | 115.2 | D477 H483 Q692 | D477-P479 VanDerWaalsContact C-N 3.33Å; D477-P479 VanDerWaalsContact O-N 3.1Å; P479-H483 PolarHBondContact O-N 3.4Å; P479-Q692 PolarHBondContact O-NE2 3.32Å |
| 480 | I | 93.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -77.2 | -43.6 | 177.7 | -51.7 | -61.9 | 0 | 0 | 0 | 110.5 | Q307 W308 M311 W475 A476 D477 A478 H483 L484 | Q307-I480 HydrophobicContact CB-CD1 4Å; Q307-I480 HydrophobicContact CB-CG1 3.79Å; Q307-I480 HydrophobicContact CB-CG2 4.28Å; Q307-I480 HydrophobicContact CG-CG1 4.38Å; Q307-I480 VanDerWaalsContact OE1-CG1 3.25Å; W308-I480 HydrophobicContact CD2-CG2 4.08Å; W308-I480 HydrophobicContact CE3-CD1 3.8Å; W308-I480 HydrophobicContact CE3-CG2 4.25Å; W308-I480 HydrophobicContact CH2-CD1 3.46Å; W308-I480 VanDerWaalsContact CH2-CD1 3.46Å; W308-I480 HydrophobicContact CZ2-CD1 4.28Å; W308-I480 HydrophobicContact CZ2-CG2 4.36Å; W308-I480 HydrophobicContact CZ3-CD1 3.19Å; W308-I480 HydrophobicContact CZ3-CG2 4.49Å; M311-I480 HydrophobicContact CE-CG2 3.62Å; W475-I480 HydrophobicContact CH2-CG2 4.43Å; W475-I480 HydrophobicContact CZ3-CG2 4.27Å; A476-I480 HydrophobicContact CB-CB 4.14Å; A476-I480 HydrophobicContact CB-CG1 4.23Å; A476-I480 HydrophobicContact CB-CG2 4.3Å; D477-I480 WeakPolarHBondContact O-CB 3.3Å; D477-I480 WeakPolarHBondContact O-CG1 3.28Å; D477-I480 PolarHBondContact O-N 3.45Å; A478-I480 PolarHBondContact O-N 3.34Å; A478-I480 VanDerWaalsContact O-N 3.08Å; I480-H483 PolarHBondContact O-N 3.37Å; I480-L484 PolarHBondContact O-N 3.13Å |
| 481 | V | 94.9 | Very high | 94.8 | Very high | 3 Ų | 3 | 10.6 Ų | 10.6 | 2% | 0.018 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -71.2 | -38.9 | 175.1 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | Y254 L469 A471 W475 A478 H483 L484 W485 | Y254-V481 HydrophobicContact CE2-CB 4.21Å; Y254-V481 HydrophobicContact CE2-CG1 4.47Å; Y254-V481 HydrophobicContact CE2-CG2 4.3Å; Y254-V481 WeakPolarHBondContact OH-CG2 3.39Å; L469-V481 HydrophobicContact CD1-CG1 3.72Å; A471-V481 HydrophobicContact CB-CG2 4.34Å; W475-V481 HydrophobicContact CH2-CG2 3.93Å; W475-V481 HydrophobicContact CZ2-CG2 3.76Å; A478-V481 PolarHBondContact O-N 2.99Å; A478-V481 VanDerWaalsContact O-N 3.14Å; V481-H483 VanDerWaalsContact C-N 3.3Å; V481-H483 PolarHBondContact O-N 3.45Å; V481-L484 WeakPolarHBondContact O-CB 3.41Å; V481-L484 PolarHBondContact O-N 3.38Å; V481-W485 WeakPolarHBondContact O-CB 3.37Å; V481-W485 PolarHBondContact O-N 2.64Å |
| 482 | G | 93.9 | Very high | 94.6 | Very high | 14 Ų | 14 | 10.5 Ų | 10.5 | 14% | 0.144 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -57.3 | -41.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A478 L484 W485 E486 | A478-G482 PolarHBondContact O-N 2.78Å; G482-L484 PolarHBondContact O-N 3.48Å; G482-W485 PolarHBondContact O-N 3.19Å; G482-E486 WeakPolarHBondContact O-CG 3.29Å; G482-E486 PolarHBondContact O-N 2.67Å |
| 483 | H | 94.4 | Very high | 94.4 | Very high | 3 Ų | 3 | 14.2 Ų | 14.2 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.7 | -45.1 | 172.7 | -179.3 | -52.3 | 0 | 0 | 0 | 111.8 | Y282 W308 P479 I480 V481 W485 N487 Q692 H693 | Y282-H483 AromaticContact CE2-CE1 3.67Å; Y282-H483 AromaticContact CE2-ND1 3.48Å; Y282-H483 WeakPolarHBondContact CE2-ND1 3.37Å; Y282-H483 AromaticContact CZ-CE1 3.92Å; Y282-H483 AromaticContact CZ-ND1 3.61Å; Y282-H483 PolarHBondContact OH-CE1 3.15Å; Y282-H483 VanDerWaalsContact OH-CE1 3.29Å; Y282-H483 PolarHBondContact OH-ND1 3.46Å; W308-H483 HydrophobicContact CZ2-CB 4.06Å; W308-H483 AromaticContact CZ2-CD2 3.83Å; W308-H483 AromaticContact CZ2-CG 3.85Å; P479-H483 PolarHBondContact O-N 3.4Å; I480-H483 PolarHBondContact O-N 3.37Å; V481-H483 VanDerWaalsContact C-N 3.3Å; V481-H483 PolarHBondContact O-N 3.45Å; H483-W485 VanDerWaalsContact C-N 3.31Å; H483-W485 PolarHBondContact O-N 3.17Å; H483-N487 PolarHBondContact CE1-ND2 2.64Å; H483-N487 PolarHBondContact ND1-ND2 3.44Å; H483-N487 PolarHBondContact O-N 3.48Å; H483-N487 PolarHBondContact O-ND2 3.35Å; H483-Q692 PolarHBondContact CD2-OE1 3.24Å; H483-H693 AromaticContact CD2-CE1 3.53Å; H483-H693 AromaticContact CD2-NE2 3.53Å; H483-H693 AromaticContact CE1-CE1 3.4Å; H483-H693 PolarHBondContact CE1-CE1 2.95Å; H483-H693 VanDerWaalsContact CE1-CE1 3.4Å; H483-H693 AromaticContact NE2-CE1 3Å; H483-H693 PolarHBondContact NE2-CE1 3.47Å; H483-H693 AromaticContact NE2-NE2 3.37Å; H483-H693 PolarHBondContact NE2-NE2 2.86Å |
| 484 | L | 95.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.8 | -51.6 | 174.2 | 168.2 | 68.1 | 0 | 0 | 0 | 110.1 | Y282 M311 F312 F457 I480 V481 G482 N487 V488 | Y282-L484 HydrophobicContact CD1-CD1 3.33Å; Y282-L484 HydrophobicContact CD2-CD1 4.02Å; Y282-L484 HydrophobicContact CE1-CB 4.34Å; Y282-L484 HydrophobicContact CE1-CD1 3.71Å; Y282-L484 HydrophobicContact CE2-CD1 4.33Å; Y282-L484 HydrophobicContact CG-CD1 3.5Å; Y282-L484 VanDerWaalsContact CG-CD1 3.5Å; M311-L484 HydrophobicContact CE-CB 4.12Å; M311-L484 HydrophobicContact CG-CD2 4.42Å; M311-L484 HydrophobicContact SD-CB 4.04Å; M311-L484 HydrophobicContact SD-CD1 4.2Å; M311-L484 HydrophobicContact SD-CD2 3.99Å; M311-L484 HydrophobicContact SD-CG 4.31Å; F312-L484 HydrophobicContact CZ-CD1 3.97Å; F312-L484 HydrophobicContact CZ-CD2 4.39Å; F457-L484 HydrophobicContact CD1-CD2 4.46Å; F457-L484 HydrophobicContact CE1-CD2 3.98Å; F457-L484 HydrophobicContact CE2-CD2 4.45Å; F457-L484 HydrophobicContact CZ-CD2 3.96Å; I480-L484 PolarHBondContact O-N 3.13Å; V481-L484 WeakPolarHBondContact O-CB 3.41Å; V481-L484 PolarHBondContact O-N 3.38Å; G482-L484 PolarHBondContact O-N 3.48Å; L484-N487 PolarHBondContact O-N 3.47Å; L484-V488 HydrophobicContact CD1-CG2 3.67Å; L484-V488 HydrophobicContact CG-CG2 4.3Å; L484-V488 WeakPolarHBondContact O-CB 3.41Å; L484-V488 VanDerWaalsContact O-CG2 3.24Å; L484-V488 WeakPolarHBondContact O-CG2 3.42Å; L484-V488 PolarHBondContact O-N 2.94Å |
| 485 | W | 95.1 | Very high | 94.1 | Very high | 7 Ų | 7 | 22.5 Ų | 22.5 | 3% | 0.027 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.4 | -49.3 | -171.6 | -164.3 | -128 | 0 | 0 | 0 | 112.7 | M257 L459 M467 L469 V481 G482 H483 N487 V488 M489 | M257-W485 PolarHBondContact O-NE1 3Å; L459-W485 HydrophobicContact CD1-CH2 4.03Å; L459-W485 HydrophobicContact CD1-CZ3 4Å; M467-W485 HydrophobicContact CB-CH2 4.46Å; M467-W485 HydrophobicContact CE-CH2 4.29Å; M467-W485 HydrophobicContact CE-CZ2 4.49Å; M467-W485 HydrophobicContact CG-CH2 3.89Å; M467-W485 HydrophobicContact CG-CZ2 4.12Å; M467-W485 HydrophobicContact SD-CH2 4.01Å; L469-W485 HydrophobicContact CD1-CB 4.24Å; L469-W485 HydrophobicContact CD1-CD2 3.76Å; L469-W485 HydrophobicContact CD1-CE3 3.43Å; L469-W485 VanDerWaalsContact CD1-CE3 3.43Å; L469-W485 HydrophobicContact CD1-CG 4.13Å; L469-W485 HydrophobicContact CD1-CZ3 4.04Å; L469-W485 HydrophobicContact CD2-CE3 3.88Å; L469-W485 HydrophobicContact CD2-CH2 4.17Å; L469-W485 HydrophobicContact CD2-CZ3 3.57Å; L469-W485 HydrophobicContact CG-CD2 3.92Å; L469-W485 HydrophobicContact CG-CE3 3.54Å; L469-W485 HydrophobicContact CG-CH2 4.09Å; L469-W485 HydrophobicContact CG-CZ2 4.42Å; L469-W485 HydrophobicContact CG-CZ3 3.63Å; V481-W485 WeakPolarHBondContact O-CB 3.37Å; V481-W485 PolarHBondContact O-N 2.64Å; G482-W485 PolarHBondContact O-N 3.19Å; H483-W485 VanDerWaalsContact C-N 3.31Å; H483-W485 PolarHBondContact O-N 3.17Å; W485-N487 PolarHBondContact O-N 3.27Å; W485-V488 PolarHBondContact O-N 2.95Å; W485-M489 HydrophobicContact CD2-CE 4.4Å; W485-M489 HydrophobicContact CD2-CG 4.24Å; W485-M489 HydrophobicContact CD2-SD 4.24Å; W485-M489 HydrophobicContact CG-CE 3.96Å; W485-M489 HydrophobicContact CG-SD 4.41Å; W485-M489 HydrophobicContact CZ2-CG 4.33Å; W485-M489 HydrophobicContact CZ2-SD 3.98Å; W485-M489 PolarHBondContact NE1-SD 2.97Å; W485-M489 VanDerWaalsContact NE1-SD 3.4Å; W485-M489 WeakPolarHBondContact O-CG 3.33Å; W485-M489 PolarHBondContact O-N 3.48Å |
| 486 | E | 92.8 | Very high | 94.3 | Very high | 9 Ų | 9 | 23.7 Ų | 23.7 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.2 | -44.2 | 177 | -74.9 | 179.3 | -141.6 | 0 | 0 | 112.8 | G482 V488 A490 Q691 Q692 H693 I694 | G482-E486 WeakPolarHBondContact O-CG 3.29Å; G482-E486 PolarHBondContact O-N 2.67Å; E486-V488 VanDerWaalsContact C-N 3.33Å; E486-V488 PolarHBondContact O-N 3.09Å; E486-A490 WeakPolarHBondContact O-CB 3.48Å; E486-A490 PolarHBondContact O-N 2.96Å; E486-Q691 VanDerWaalsContact OE1-CA 3.23Å; E486-Q691 WeakPolarHBondContact OE1-CA 3.46Å; E486-Q692 PolarHBondContact OE1-N 3.35Å; E486-Q692 PolarHBondContact OE2-N 3.05Å; E486-H693 PolarHBondContact OE2-N 3.13Å; E486-I694 HydrophobicContact CB-CD1 4.19Å; E486-I694 HydrophobicContact CB-CG1 4.36Å; E486-I694 HydrophobicContact CG-CD1 4.25Å |
| 487 | N | 93.9 | Very high | 94.3 | Very high | 37 Ų | 37 | 24.1 Ų | 24.1 | 20% | 0.198 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.1 | -39.1 | -179.3 | -77 | -101.7 | 0 | 0 | 0 | 111.2 | Y282 H483 L484 W485 T491 H693 | Y282-N487 HydrophobicContact CD2-CB 3.84Å; Y282-N487 HydrophobicContact CE2-CB 3.94Å; H483-N487 PolarHBondContact CE1-ND2 2.64Å; H483-N487 PolarHBondContact ND1-ND2 3.44Å; H483-N487 PolarHBondContact O-N 3.48Å; H483-N487 PolarHBondContact O-ND2 3.35Å; L484-N487 PolarHBondContact O-N 3.47Å; W485-N487 PolarHBondContact O-N 3.27Å; N487-T491 VanDerWaalsContact O-CB 3.31Å; N487-T491 WeakPolarHBondContact O-CB 3.32Å; N487-T491 PolarHBondContact O-N 2.71Å; N487-T491 PolarHBondContact O-OG1 3.13Å; N487-H693 VanDerWaalsContact CG-ND1 3.32Å; N487-H693 PolarHBondContact ND2-CE1 3.32Å; N487-H693 PolarHBondContact ND2-ND1 3.48Å; N487-H693 PolarHBondContact OD1-ND1 3.03Å |
| 488 | V | 95.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.7 | -48.2 | -177.9 | 161 | 0 | 0 | 0 | 0 | 110.8 | I275 A278 I279 L484 W485 E486 A490 T491 E492 | I275-V488 HydrophobicContact CD1-CG1 3.32Å; I275-V488 HydrophobicContact CG1-CG1 3.69Å; A278-V488 HydrophobicContact CB-CG1 4.05Å; I279-V488 HydrophobicContact CB-CG2 4.42Å; I279-V488 HydrophobicContact CD1-CG1 4.48Å; I279-V488 HydrophobicContact CG1-CB 4.38Å; I279-V488 HydrophobicContact CG1-CG1 3.65Å; I279-V488 HydrophobicContact CG1-CG2 3.82Å; L484-V488 HydrophobicContact CD1-CG2 3.67Å; L484-V488 HydrophobicContact CG-CG2 4.3Å; L484-V488 WeakPolarHBondContact O-CB 3.41Å; L484-V488 VanDerWaalsContact O-CG2 3.24Å; L484-V488 WeakPolarHBondContact O-CG2 3.42Å; L484-V488 PolarHBondContact O-N 2.94Å; W485-V488 PolarHBondContact O-N 2.95Å; E486-V488 VanDerWaalsContact C-N 3.33Å; E486-V488 PolarHBondContact O-N 3.09Å; V488-A490 VanDerWaalsContact C-N 3.32Å; V488-A490 PolarHBondContact O-N 3.34Å; V488-T491 PolarHBondContact O-N 2.82Å; V488-E492 WeakPolarHBondContact O-CB 3.38Å; V488-E492 PolarHBondContact O-N 3.5Å |
| 489 | M | 94.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.4 | -38.2 | 176.2 | -66.3 | -170.7 | -64.6 | 0 | 0 | 111.8 | F259 M467 W485 Y493 | F259-M489 HydrophobicContact CD1-CE 4.46Å; F259-M489 HydrophobicContact CD1-SD 4.4Å; F259-M489 HydrophobicContact CD2-SD 4.47Å; F259-M489 HydrophobicContact CE1-CB 4.26Å; F259-M489 HydrophobicContact CE1-CE 4.02Å; F259-M489 HydrophobicContact CE1-SD 4.22Å; F259-M489 HydrophobicContact CE2-CB 3.69Å; F259-M489 HydrophobicContact CE2-CG 4.44Å; F259-M489 HydrophobicContact CE2-SD 4.34Å; F259-M489 HydrophobicContact CZ-CB 3.47Å; F259-M489 VanDerWaalsContact CZ-CB 3.47Å; F259-M489 HydrophobicContact CZ-CE 4.34Å; F259-M489 HydrophobicContact CZ-CG 4.39Å; F259-M489 HydrophobicContact CZ-SD 4.21Å; M467-M489 HydrophobicContact CE-CG 4.03Å; W485-M489 HydrophobicContact CD2-CE 4.4Å; W485-M489 HydrophobicContact CD2-CG 4.24Å; W485-M489 HydrophobicContact CD2-SD 4.24Å; W485-M489 HydrophobicContact CG-CE 3.96Å; W485-M489 HydrophobicContact CG-SD 4.41Å; W485-M489 HydrophobicContact CZ2-CG 4.33Å; W485-M489 HydrophobicContact CZ2-SD 3.98Å; W485-M489 PolarHBondContact NE1-SD 2.97Å; W485-M489 VanDerWaalsContact NE1-SD 3.4Å; W485-M489 WeakPolarHBondContact O-CG 3.33Å; W485-M489 PolarHBondContact O-N 3.48Å; M489-Y493 PolarHBondContact O-N 3.12Å; M489-Y493 VanDerWaalsContact O-N 3.13Å |
| 490 | A | 93.3 | Very high | 94.7 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 15% | 0.149 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.2 | -46.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E486 V488 E492 Y493 L494 I694 M702 | E486-A490 WeakPolarHBondContact O-CB 3.48Å; E486-A490 PolarHBondContact O-N 2.96Å; V488-A490 VanDerWaalsContact C-N 3.32Å; V488-A490 PolarHBondContact O-N 3.34Å; A490-E492 VanDerWaalsContact C-N 3.31Å; A490-E492 PolarHBondContact O-N 2.95Å; A490-Y493 PolarHBondContact O-N 3.28Å; A490-L494 HydrophobicContact CB-CD1 4.4Å; A490-L494 VanDerWaalsContact O-CB 3.24Å; A490-L494 WeakPolarHBondContact O-CB 3.43Å; A490-L494 WeakPolarHBondContact O-CG 3.24Å; A490-L494 PolarHBondContact O-N 2.84Å; A490-I694 HydrophobicContact CB-CG1 4.3Å; A490-M702 HydrophobicContact CB-CE 3.73Å |
| 491 | T | 95.3 | Very high | 94.8 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 7% | 0.067 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.2 | -40.2 | 177.1 | -74 | 0 | 0 | 0 | 0 | 111.2 | A278 L281 N487 V488 E495 L496 | A278-T491 HydrophobicContact CB-CG2 4.15Å; L281-T491 HydrophobicContact CD1-CG2 4.22Å; N487-T491 VanDerWaalsContact O-CB 3.31Å; N487-T491 WeakPolarHBondContact O-CB 3.32Å; N487-T491 PolarHBondContact O-N 2.71Å; N487-T491 PolarHBondContact O-OG1 3.13Å; V488-T491 PolarHBondContact O-N 2.82Å; T491-E495 HydrophobicContact CG2-CB 4.34Å; T491-E495 WeakPolarHBondContact O-CA 3.33Å; T491-E495 VanDerWaalsContact O-CB 3.24Å; T491-E495 WeakPolarHBondContact O-CB 3.46Å; T491-E495 PolarHBondContact O-N 3.42Å; T491-E495 PolarHBondContact OG1-OE1 3.1Å; T491-L496 HydrophobicContact CG2-CG 4.41Å; T491-L496 PolarHBondContact O-N 3.05Å |
| 492 | E | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -57.8 | -55.5 | 174.8 | 171 | -170.9 | -141.5 | 0 | 0 | 112 | R271 N274 I275 V488 A490 L496 G497 Y498 | R271-E492 IonicContact CZ-OE1 2.66Å; R271-E492 IonicContact CZ-OE2 3.28Å; R271-E492 IonicContact NE-OE1 3.83Å; R271-E492 IonicContact NH1-OE1 3.58Å; R271-E492 PolarHBondContact NH1-OE1 3.08Å; R271-E492 IonicContact NH1-OE2 2.99Å; R271-E492 PolarHBondContact NH1-OE2 3.29Å; R271-E492 IonicContact NH2-OE2 2.67Å; R271-E492 PolarHBondContact NH2-OE2 2.91Å; N274-E492 HydrophobicContact CB-CG 4.09Å; I275-E492 HydrophobicContact CD1-CB 4.28Å; V488-E492 WeakPolarHBondContact O-CB 3.38Å; V488-E492 PolarHBondContact O-N 3.5Å; A490-E492 VanDerWaalsContact C-N 3.31Å; A490-E492 PolarHBondContact O-N 2.95Å; E492-L496 PolarHBondContact O-N 2.87Å; E492-G497 PolarHBondContact O-N 3.49Å; E492-Y498 HydrophobicContact CG-CE2 4.29Å; E492-Y498 PolarHBondContact OE1-OH 2.87Å |
| 493 | Y | 92 | Very high | 95.1 | Very high | 78 Ų | 78 | 41.4 Ų | 41.4 | 31% | 0.306 | 21% | 0.212 | S | C | . | . | I | π-helix | trans | -73 | -43.9 | -172.3 | -179.7 | -111.6 | 0 | 0 | 0 | 112.3 | L262 P264 M489 A490 E701 M702 | L262-Y493 HydrophobicContact CD1-CE2 3.81Å; L262-Y493 HydrophobicContact CD2-CD1 4.09Å; L262-Y493 HydrophobicContact CD2-CD2 3.77Å; L262-Y493 HydrophobicContact CD2-CE1 4.03Å; L262-Y493 HydrophobicContact CD2-CE2 3.71Å; L262-Y493 HydrophobicContact CD2-CG 3.94Å; L262-Y493 HydrophobicContact CG-CD2 4.49Å; L262-Y493 HydrophobicContact CG-CE2 4.25Å; P264-Y493 HydrophobicContact CB-CD2 4.3Å; P264-Y493 HydrophobicContact CG-CD2 3.82Å; P264-Y493 HydrophobicContact CG-CE2 4.44Å; M489-Y493 PolarHBondContact O-N 3.12Å; M489-Y493 VanDerWaalsContact O-N 3.13Å; A490-Y493 PolarHBondContact O-N 3.28Å; Y493-E701 HydrophobicContact CE1-CG 4.4Å; Y493-E701 WeakPolarHBondContact CE1-OE1 3.44Å; Y493-E701 PolarHBondContact OH-OE1 3.34Å; Y493-M702 HydrophobicContact CD1-CE 4.39Å; Y493-M702 HydrophobicContact CD1-CG 4.05Å; Y493-M702 HydrophobicContact CD1-SD 3.78Å; Y493-M702 HydrophobicContact CE1-CG 4.23Å; Y493-M702 HydrophobicContact CE1-SD 4.26Å |
| 494 | L | 92.8 | Very high | 95.2 | Very high | 94 Ų | 94 | 41.3 Ų | 41.3 | 49% | 0.492 | 21% | 0.212 | S | C | . | . | I | π-helix | trans | -88.6 | -26.8 | -172.3 | -58.5 | 175 | 0 | 0 | 0 | 113.9 | A490 M702 | A490-L494 HydrophobicContact CB-CD1 4.4Å; A490-L494 VanDerWaalsContact O-CB 3.24Å; A490-L494 WeakPolarHBondContact O-CB 3.43Å; A490-L494 WeakPolarHBondContact O-CG 3.24Å; A490-L494 PolarHBondContact O-N 2.84Å; L494-M702 HydrophobicContact CD1-CE 4.24Å; L494-M702 HydrophobicContact CD1-SD 4.11Å; L494-M702 HydrophobicContact CD2-SD 4.07Å; L494-M702 HydrophobicContact CG-CE 4.35Å; L494-M702 HydrophobicContact CG-SD 4.13Å |
| 495 | E | 95.1 | Very high | 95.3 | Very high | 124 Ų | 124 | 48.4 Ų | 48.4 | 58% | 0.579 | 24% | 0.239 | S | C | * | . | I | π-helix | trans | -112 | -47.3 | -174.5 | -53.5 | 174.1 | -139.4 | 0 | 0 | 112.8 | T491 | T491-E495 HydrophobicContact CG2-CB 4.34Å; T491-E495 WeakPolarHBondContact O-CA 3.33Å; T491-E495 VanDerWaalsContact O-CB 3.24Å; T491-E495 WeakPolarHBondContact O-CB 3.46Å; T491-E495 PolarHBondContact O-N 3.42Å; T491-E495 PolarHBondContact OG1-OE1 3.1Å |
| 496 | L | 96.8 | Very high | 95.3 | Very high | 31 Ų | 31 | 50.4 Ų | 50.4 | 16% | 0.162 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -81.4 | -55.2 | -174.5 | -59.1 | -179.5 | 0 | 0 | 0 | 111.8 | N274 H277 A278 P356 T491 E492 R505 | N274-L496 HydrophobicContact CB-CD1 4.35Å; N274-L496 WeakPolarHBondContact O-CD1 3.44Å; H277-L496 HydrophobicContact CB-CD1 4.42Å; A278-L496 HydrophobicContact CB-CD1 4.1Å; P356-L496 HydrophobicContact CG-CD1 4.49Å; P356-L496 HydrophobicContact CG-CD2 4.46Å; T491-L496 HydrophobicContact CG2-CG 4.41Å; T491-L496 PolarHBondContact O-N 3.05Å; E492-L496 PolarHBondContact O-N 2.87Å; L496-R505 WeakPolarHBondContact O-CD 3.4Å |
| 497 | G | 95.1 | Very high | 95.4 | Very high | 9 Ų | 9 | 56 Ų | 56 | 9% | 0.093 | 29% | 0.292 | C | S | . | . | trans | 61.1 | -176.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | N274 E492 | N274-G497 PolarHBondContact ND2-O 3.04Å; E492-G497 PolarHBondContact O-N 3.49Å | ||
| 498 | Y | 97.5 | Very high | 95.3 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 9% | 0.09 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -126.8 | 162.5 | -177.4 | -63.4 | -88.5 | 0 | 0 | 0 | 110.2 | P264 T265 A270 R271 N274 E492 G502 H503 R505 | P264-Y498 HydrophobicContact CB-CD2 3.8Å; P264-Y498 HydrophobicContact CB-CE2 3.46Å; P264-Y498 VanDerWaalsContact CB-CE2 3.46Å; T265-Y498 HydrophobicContact CG2-CD1 3.85Å; T265-Y498 HydrophobicContact CG2-CE1 3.36Å; T265-Y498 HydrophobicContact CG2-CE2 4.3Å; T265-Y498 HydrophobicContact CG2-CG 4.48Å; A270-Y498 HydrophobicContact CB-CD1 4.36Å; A270-Y498 HydrophobicContact CB-CE1 4.09Å; R271-Y498 WeakPolarHBondContact CA-OH 3.47Å; N274-Y498 HydrophobicContact CB-CE1 4.23Å; N274-Y498 WeakPolarHBondContact CB-OH 3.35Å; N274-Y498 WeakPolarHBondContact ND2-CE1 3.23Å; N274-Y498 PolarHBondContact ND2-OH 3.18Å; E492-Y498 HydrophobicContact CG-CE2 4.29Å; E492-Y498 PolarHBondContact OE1-OH 2.87Å; Y498-G502 WeakPolarHBondContact CD1-O 3.36Å; Y498-H503 CarbonylContact C-O 3.53Å; Y498-H503 VanDerWaalsContact CA-O 3.29Å; Y498-H503 WeakPolarHBondContact CA-O 3.39Å; Y498-H503 WeakPolarHBondContact CB-O 3.45Å; Y498-R505 PolarHBondContact O-NE 2.81Å; Y498-R505 PolarHBondContact O-NH2 2.86Å |
| 499 | S | 96.8 | Very high | 95.1 | Very high | 46 Ų | 46 | 59.3 Ų | 59.3 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | trans | -80.2 | 171.2 | 166.7 | 41.7 | 0 | 0 | 0 | 0 | 111.1 | D501 G502 H503 | S499-D501 VanDerWaalsContact CB-OD1 3.23Å; S499-D501 WeakPolarHBondContact CB-OD1 3.45Å; S499-D501 PolarHBondContact O-N 3.17Å; S499-D501 PolarHBondContact OG-OD1 3.22Å; S499-G502 PolarHBondContact O-N 3.06Å; S499-H503 PolarHBondContact N-O 2.64Å; S499-H503 PolarHBondContact OG-N 3.3Å; S499-H503 PolarHBondContact OG-O 2.82Å; S499-H503 VanDerWaalsContact OG-O 3.05Å | ||
| 500 | E | 94.9 | Very high | 95 | Very high | 212 Ų | 212 | 65.5 Ų | 65.5 | 99% | 0.991 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.4 | -178 | -65.3 | -176.8 | 170.7 | 0 | 0 | 113.2 | G502 | E500-G502 PolarHBondContact O-N 3.26Š|
| 501 | D | 95.6 | Very high | 94.8 | Very high | 101 Ų | 101 | 71 Ų | 71 | 54% | 0.54 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 5.3 | 174.5 | 60.6 | 1.1 | 0 | 0 | 0 | 113.6 | S499 H503 | S499-D501 VanDerWaalsContact CB-OD1 3.23Å; S499-D501 WeakPolarHBondContact CB-OD1 3.45Å; S499-D501 PolarHBondContact O-N 3.17Å; S499-D501 PolarHBondContact OG-OD1 3.22Å; D501-H503 VanDerWaalsContact C-N 3.32Å; D501-H503 PolarHBondContact O-N 3.11Å; D501-H503 IonicContact OD1-CD2 3.3Å; D501-H503 IonicContact OD1-CG 2.77Å; D501-H503 PolarHBondContact OD1-N 3.47Å; D501-H503 IonicContact OD2-CD2 3.75Å; D501-H503 PolarHBondContact OD2-CD2 3.36Å |
| 502 | G | 96.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 70.7 Ų | 70.7 | 14% | 0.144 | 37% | 0.366 | C | S | . | . | S | Bend | trans | 82.4 | 1.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T265 A270 Y498 S499 E500 | T265-G502 WeakPolarHBondContact CB-O 3.42Å; T265-G502 PolarHBondContact OG1-O 3.15Å; A270-G502 WeakPolarHBondContact CB-O 3.23Å; Y498-G502 WeakPolarHBondContact CD1-O 3.36Å; S499-G502 PolarHBondContact O-N 3.06Å; E500-G502 PolarHBondContact O-N 3.26Å |
| 503 | H | 98.4 | Very high | 94.3 | Very high | 50 Ų | 50 | 73.1 Ų | 73.1 | 23% | 0.231 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 163.2 | 178.1 | -75.4 | -56.8 | 0 | 0 | 0 | 113.1 | L267 R357 E360 Y498 S499 D501 | L267-H503 WeakPolarHBondContact CD1-ND1 3.18Å; R357-H503 PolarHBondContact NH1-ND1 2.8Å; E360-H503 IonicContact OE1-CE1 3.22Å; E360-H503 IonicContact OE1-CG 3.54Å; E360-H503 IonicContact OE1-ND1 3.93Å; E360-H503 PolarHBondContact OE1-ND1 2.81Å; Y498-H503 CarbonylContact C-O 3.53Å; Y498-H503 VanDerWaalsContact CA-O 3.29Å; Y498-H503 WeakPolarHBondContact CA-O 3.39Å; Y498-H503 WeakPolarHBondContact CB-O 3.45Å; S499-H503 PolarHBondContact N-O 2.64Å; S499-H503 PolarHBondContact OG-N 3.3Å; S499-H503 PolarHBondContact OG-O 2.82Å; S499-H503 VanDerWaalsContact OG-O 3.05Å; D501-H503 VanDerWaalsContact C-N 3.32Å; D501-H503 PolarHBondContact O-N 3.11Å; D501-H503 IonicContact OD1-CD2 3.3Å; D501-H503 IonicContact OD1-CG 2.77Å; D501-H503 PolarHBondContact OD1-N 3.47Å; D501-H503 IonicContact OD2-CD2 3.75Å; D501-H503 PolarHBondContact OD2-CD2 3.36Å |
| 504 | C | 98.2 | Very high | 94.4 | Very high | 2 Ų | 2 | 73.5 Ų | 73.5 | 1% | 0.014 | 39% | 0.388 | C | S | . | . | B | Isolated β-bridge | trans | -64.8 | 140.7 | 171.2 | -71.8 | 0 | 0 | 0 | 0 | 110.7 | A270 N274 P356 R357 E360 | A270-C504 PolarHBondContact O-SG 3.03Å; N274-C504 VanDerWaalsContact CG-SG 3.57Å; P356-C504 HydrophobicContact CB-CB 3.78Å; R357-C504 HydrophobicContact CB-CB 4.24Å; R357-C504 WeakPolarHBondContact CD-O 3.34Å; E360-C504 VanDerWaalsContact OE2-CB 3.25Å; E360-C504 WeakPolarHBondContact OE2-CB 3.41Å; E360-C504 PolarHBondContact OE2-N 3.3Å |
| 505 | R | 97.3 | Very high | 94.6 | Very high | 149 Ų | 149 | 70 Ų | 70 | 56% | 0.562 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -64.4 | 143.8 | 174.9 | -62.4 | -177.7 | -178.3 | 167.3 | -5.7 | 111.9 | L496 Y498 | L496-R505 WeakPolarHBondContact O-CD 3.4Å; Y498-R505 PolarHBondContact O-NE 2.81Å; Y498-R505 PolarHBondContact O-NH2 2.86Å |
| 506 | G | 94.8 | Very high | 94.8 | Very high | 49 Ų | 49 | 67.1 Ų | 67.1 | 51% | 0.505 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 106.7 | -173.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | R357 | R357-G506 WeakPolarHBondContact CG-O 3.47Š|
| 507 | D | 93.5 | Very high | 94.8 | Very high | 127 Ų | 127 | 67.4 Ų | 67.4 | 68% | 0.679 | 36% | 0.362 | S | S | * | . | trans | -104 | 151.7 | -173.7 | -49.4 | -64.3 | 0 | 0 | 0 | 112.7 | ||||
| 508 | T | 92.4 | Very high | 95 | Very high | 74 Ų | 74 | 67.6 Ų | 67.6 | 45% | 0.454 | 36% | 0.361 | S | S | . | . | trans | -71.7 | 158.9 | 169.4 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | R357 | R357-T508 HydrophobicContact CG-CG2 4Š| ||
| 509 | N | 92.2 | Very high | 95 | Very high | 34 Ų | 34 | 69.9 Ų | 69.9 | 18% | 0.182 | 37% | 0.372 | C | S | . | . | trans | -139.6 | 113.3 | 177.4 | 177.7 | 3 | 0 | 0 | 0 | 110.2 | E358 Q361 N511 I512 | E358-N509 HydrophobicContact CG-CB 4.03Å; E358-N509 WeakPolarHBondContact OE1-CB 3.34Å; E358-N509 PolarHBondContact OE1-ND2 2.75Å; Q361-N509 VanDerWaalsContact OE1-N 3.15Å; Q361-N509 PolarHBondContact OE1-O 3.28Å; N509-N511 PolarHBondContact O-N 2.91Å; N509-N511 WeakPolarHBondContact OD1-CB 3.18Å; N509-N511 PolarHBondContact OD1-N 3.09Å; N509-I512 HydrophobicContact CB-CG2 3.89Å; N509-I512 WeakPolarHBondContact ND2-CG2 3.34Å; N509-I512 VanDerWaalsContact O-CG1 3.31Å; N509-I512 WeakPolarHBondContact O-CG1 3.49Å | ||
| 510 | Q | 90.9 | Very high | 95.1 | Very high | 130 Ų | 130 | 68.1 Ų | 68.1 | 61% | 0.607 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -17 | -176.7 | -61.4 | -60.6 | -12.4 | 0 | 0 | 113.6 | I512 | Q510-I512 VanDerWaalsContact C-N 3.32Å; Q510-I512 PolarHBondContact O-N 3.13Å |
| 511 | N | 89.6 | Confident | 95.2 | Very high | 133 Ų | 133 | 63 Ų | 63 | 71% | 0.711 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -3.6 | -177.1 | -61.3 | -28.6 | 0 | 0 | 0 | 113.5 | H349 N509 | H349-N511 PolarHBondContact CE1-O 2.75Å; N509-N511 PolarHBondContact O-N 2.91Å; N509-N511 WeakPolarHBondContact OD1-CB 3.18Å; N509-N511 PolarHBondContact OD1-N 3.09Å |
| 512 | I | 92.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -69.2 | 144.3 | 177.4 | 69.3 | -172.1 | 0 | 0 | 0 | 110.8 | L354 E358 Q362 N509 Q510 I514 | L354-I512 HydrophobicContact CD2-CB 4.33Å; L354-I512 HydrophobicContact CD2-CG2 3.9Å; E358-I512 HydrophobicContact CB-CD1 3.93Å; E358-I512 HydrophobicContact CG-CG2 4.42Å; Q362-I512 HydrophobicContact CG-CD1 3.87Å; N509-I512 HydrophobicContact CB-CG2 3.89Å; N509-I512 WeakPolarHBondContact ND2-CG2 3.34Å; N509-I512 VanDerWaalsContact O-CG1 3.31Å; N509-I512 WeakPolarHBondContact O-CG1 3.49Å; Q510-I512 VanDerWaalsContact C-N 3.32Å; Q510-I512 PolarHBondContact O-N 3.13Å; I512-I514 PolarHBondContact O-N 3.27Å |
| 513 | P | 87.7 | Confident | 95.3 | Very high | 52 Ų | 52 | 60.4 Ų | 60.4 | 34% | 0.338 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 132.4 | 177.1 | -22.3 | 32.3 | 0 | 0 | 0 | 110.8 | Q362 | Q362-P513 PolarHBondContact NE2-O 2.9Å; Q362-P513 PolarHBondContact OE1-O 3.1Å |
| 514 | I | 94.3 | Very high | 95.3 | Very high | 85 Ų | 85 | 65.1 Ų | 65.1 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 154.3 | 175.9 | 60 | 174.6 | 0 | 0 | 0 | 111.5 | I512 T516 | I512-I514 PolarHBondContact O-N 3.27Å; I514-T516 PolarHBondContact O-N 3Å |
| 515 | P | 97.7 | Very high | 95.3 | Very high | 20 Ų | 20 | 70.3 Ų | 70.3 | 13% | 0.13 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -57 | 134.9 | 170.9 | -24 | 36.8 | 0 | 0 | 0 | 111 | F343 V345 Q362 R365 I366 | F343-P515 HydrophobicContact CB-CB 4.23Å; F343-P515 HydrophobicContact CD1-CB 4.3Å; V345-P515 HydrophobicContact CG2-CB 4.08Å; V345-P515 HydrophobicContact CG2-CG 4.38Å; Q362-P515 HydrophobicContact CB-CG 4.21Å; R365-P515 HydrophobicContact CB-CG 4.36Å; I366-P515 HydrophobicContact CD1-CB 3.97Å; I366-P515 HydrophobicContact CD1-CG 4.05Å; I366-P515 HydrophobicContact CG1-CB 3.83Å; I366-P515 HydrophobicContact CG1-CG 3.85Å |
| 516 | T | 97.8 | Very high | 95.4 | Very high | 64 Ų | 64 | 63.2 Ų | 63.2 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 113.8 | 178.8 | -48.1 | 0 | 0 | 0 | 0 | 109.6 | F343 K344 I514 L518 | F343-T516 CarbonylContact C-O 3.35Å; F343-T516 WeakPolarHBondContact CA-O 3.23Å; K344-T516 PolarHBondContact N-O 3.26Å; K344-T516 PolarHBondContact O-N 2.7Å; I514-T516 PolarHBondContact O-N 3Å; T516-L518 PolarHBondContact O-N 3.26Å |
| 517 | K | 98.2 | Very high | 95.5 | Very high | 37 Ų | 37 | 63.5 Ų | 63.5 | 16% | 0.161 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 126.1 | 173.1 | -171.6 | 177.6 | 179.4 | 178.6 | 0 | 110 | Y342 F343 S371 E372 Q519 | Y342-K517 WeakPolarHBondContact O-CA 3.47Å; F343-K517 HydrophobicContact CD1-CB 3.96Å; F343-K517 HydrophobicContact CD1-CG 4.44Å; F343-K517 HydrophobicContact CE1-CB 3.84Å; F343-K517 HydrophobicContact CE1-CD 4.46Å; F343-K517 HydrophobicContact CE1-CG 4.08Å; F343-K517 HydrophobicContact CZ-CG 4.47Å; S371-K517 PolarHBondContact OG-NZ 2.78Å; E372-K517 PolarHBondContact O-NZ 3.24Å; K517-Q519 PolarHBondContact O-NE2 2.98Å; K517-Q519 VanDerWaalsContact O-NE2 3.08Å |
| 518 | L | 98.4 | Very high | 95.8 | Very high | 13 Ų | 13 | 64.1 Ų | 64.1 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | trans | -67.6 | 148.9 | 176.3 | -61.9 | -170.2 | 0 | 0 | 0 | 110.2 | V335 Y342 K344 Q374 A410 I411 T516 W520 | V335-L518 HydrophobicContact CG1-CD1 4.23Å; V335-L518 HydrophobicContact CG2-CD1 4.46Å; Y342-L518 PolarHBondContact O-N 2.68Å; K344-L518 HydrophobicContact CB-CD2 3.93Å; Q374-L518 PolarHBondContact NE2-O 3.04Å; A410-L518 HydrophobicContact CB-CD1 4.36Å; A410-L518 HydrophobicContact CB-CD2 4.01Å; I411-L518 HydrophobicContact CD1-CD1 4.25Å; I411-L518 HydrophobicContact CG1-CD1 3.96Å; T516-L518 PolarHBondContact O-N 3.26Å; L518-W520 HydrophobicContact CB-CZ2 4.33Å; L518-W520 HydrophobicContact CD1-CZ2 4.17Å | ||
| 519 | Q | 98 | Very high | 96.1 | Very high | 71 Ų | 71 | 62.5 Ų | 62.5 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | trans | -113.6 | 139.1 | -174.2 | -58.9 | -59.4 | -45.9 | 0 | 0 | 110.7 | Q374 K403 S407 K517 | Q374-Q519 VanDerWaalsContact NE2-OE1 3.09Å; K403-Q519 HydrophobicContact CB-CB 4.47Å; K403-Q519 HydrophobicContact CD-CB 4.1Å; S407-Q519 WeakPolarHBondContact CB-O 3.33Å; S407-Q519 PolarHBondContact OG-N 2.57Å; S407-Q519 VanDerWaalsContact OG-N 3.12Å; S407-Q519 PolarHBondContact OG-O 3.36Å; K517-Q519 PolarHBondContact O-NE2 2.98Å; K517-Q519 VanDerWaalsContact O-NE2 3.08Å | ||
| 520 | W | 98 | Very high | 96.4 | Very high | 9 Ų | 9 | 61 Ų | 61 | 3% | 0.034 | 31% | 0.308 | C | S | . | . | trans | -135.6 | 142.2 | -172 | -57.4 | 103.1 | 0 | 0 | 0 | 111.1 | Y342 Q374 E377 L380 F399 N404 S407 L408 I411 L518 I522 | Y342-W520 HydrophobicContact CD2-CZ2 4.39Å; Y342-W520 AromaticContact CD2-NE1 3.92Å; Q374-W520 PolarHBondContact OE1-O 2.87Å; E377-W520 VanDerWaalsContact CD-CD1 3.47Å; E377-W520 VanDerWaalsContact CG-CD1 3.48Å; E377-W520 HydrophobicContact CG-CG 4.39Å; E377-W520 PolarHBondContact OE1-NE1 3.32Å; L380-W520 HydrophobicContact CD2-CD2 3.89Å; L380-W520 HydrophobicContact CD2-CE3 3.91Å; L380-W520 HydrophobicContact CD2-CH2 3.54Å; L380-W520 HydrophobicContact CD2-CZ2 3.5Å; L380-W520 VanDerWaalsContact CD2-CZ2 3.5Å; L380-W520 HydrophobicContact CD2-CZ3 3.76Å; F399-W520 HydrophobicContact CD1-CE3 4.37Å; F399-W520 AromaticContact CD1-CZ3 3.83Å; F399-W520 HydrophobicContact CD1-CZ3 3.83Å; F399-W520 AromaticContact CE1-CE3 3.91Å; F399-W520 HydrophobicContact CE1-CE3 3.91Å; F399-W520 AromaticContact CE1-CZ3 3.64Å; F399-W520 HydrophobicContact CE1-CZ3 3.64Å; N404-W520 HydrophobicContact CB-CE3 4.42Å; N404-W520 WeakPolarHBondContact OD1-CA 3.24Å; S407-W520 VanDerWaalsContact CB-CH2 3.4Å; L408-W520 HydrophobicContact CB-CZ3 4.45Å; I411-W520 HydrophobicContact CD1-CH2 3.92Å; I411-W520 HydrophobicContact CD1-CZ2 3.93Å; L518-W520 HydrophobicContact CB-CZ2 4.33Å; L518-W520 HydrophobicContact CD1-CZ2 4.17Å; W520-I522 HydrophobicContact CB-CD1 3.94Å; W520-I522 HydrophobicContact CB-CG1 4.01Å; W520-I522 HydrophobicContact CG-CD1 4.3Å | ||
| 521 | E | 96.9 | Very high | 96.7 | Very high | 106 Ų | 106 | 58.9 Ų | 58.9 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | trans | -126.4 | 75.9 | 171.9 | -74.8 | 173 | 174.7 | 0 | 0 | 106.3 | K403 N404 P523 | K403-E521 HydrophobicContact CD-CG 4.07Å; K403-E521 WeakPolarHBondContact CD-OE1 3.28Å; K403-E521 WeakPolarHBondContact CE-OE1 3.41Å; K403-E521 IonicContact NZ-OE1 3.96Å; K403-E521 PolarHBondContact NZ-OE1 2.93Å; N404-E521 PolarHBondContact ND2-O 3.47Å; N404-E521 PolarHBondContact OD1-N 2.98Å; E521-P523 VanDerWaalsContact O-CD 3.3Å; E521-P523 WeakPolarHBondContact O-CD 3.34Å | ||
| 522 | I | 97.8 | Very high | 97.2 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 6% | 0.056 | 30% | 0.299 | C | S | . | . | trans | -94.9 | 105.2 | -174.8 | -59.7 | 165.3 | 0 | 0 | 0 | 108.1 | L380 W520 C526 Q527 I530 | L380-I522 HydrophobicContact CD1-CD1 4.1Å; L380-I522 HydrophobicContact CD2-CD1 4.36Å; W520-I522 HydrophobicContact CB-CD1 3.94Å; W520-I522 HydrophobicContact CB-CG1 4.01Å; W520-I522 HydrophobicContact CG-CD1 4.3Å; I522-C526 HydrophobicContact CG2-CB 3.74Å; I522-Q527 HydrophobicContact CG2-CG 3.71Å; I522-Q527 PolarHBondContact O-NE2 3.03Å; I522-I530 HydrophobicContact CG2-CD1 3.9Å | ||
| 523 | P | 97.7 | Very high | 97.5 | Very high | 48 Ų | 48 | 61.7 Ų | 61.7 | 31% | 0.312 | 30% | 0.3 | S | S | . | . | trans | -69.3 | 159.8 | -179.6 | 33.2 | -37.8 | 0 | 0 | 0 | 110.9 | Y398 E521 E525 C526 Q527 | Y398-P523 HydrophobicContact CD1-CG 3.63Å; Y398-P523 HydrophobicContact CE1-CG 3.83Å; E521-P523 VanDerWaalsContact O-CD 3.3Å; E521-P523 WeakPolarHBondContact O-CD 3.34Å; P523-E525 VanDerWaalsContact C-N 3.25Å; P523-E525 WeakPolarHBondContact CB-OE2 3.21Å; P523-E525 PolarHBondContact O-N 3.3Å; P523-C526 HydrophobicContact CG-CB 3.95Å; P523-C526 WeakPolarHBondContact O-CA 3.38Å; P523-C526 WeakPolarHBondContact O-CB 3.27Å; P523-C526 PolarHBondContact O-N 3.21Å; P523-Q527 WeakPolarHBondContact O-CG 3.28Å; P523-Q527 PolarHBondContact O-N 3.08Å; P523-Q527 VanDerWaalsContact O-N 3.12Å | ||
| 524 | E | 98.1 | Very high | 98 | Very high | 150 Ų | 150 | 60 Ų | 60 | 70% | 0.701 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -55.1 | -39.3 | -175.4 | -68.6 | -178.7 | 178 | 0 | 0 | 112.3 | C526 Q527 E528 | E524-C526 PolarHBondContact O-N 3.29Å; E524-Q527 WeakPolarHBondContact O-CA 3.14Å; E524-Q527 WeakPolarHBondContact O-CB 3.48Å; E524-Q527 PolarHBondContact O-N 3.13Å; E524-E528 PolarHBondContact O-N 3.27Å |
| 525 | E | 98.2 | Very high | 98.2 | Very high | 111 Ų | 111 | 59.9 Ų | 59.9 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.4 | -31.1 | 178 | -55.2 | 87.1 | 165 | 0 | 0 | 112.3 | Y398 P523 V529 | Y398-E525 WeakPolarHBondContact OH-CB 3.35Å; P523-E525 VanDerWaalsContact C-N 3.25Å; P523-E525 WeakPolarHBondContact CB-OE2 3.21Å; P523-E525 PolarHBondContact O-N 3.3Å; E525-V529 WeakPolarHBondContact O-CG2 3.31Å |
| 526 | C | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.4 | -35.2 | 173.2 | -172.4 | 0 | 0 | 0 | 0 | 111.2 | Y398 I522 P523 E524 E528 V529 I530 | Y398-C526 HydrophobicContact CD1-CB 3.98Å; Y398-C526 HydrophobicContact CD2-CB 3.54Å; Y398-C526 WeakPolarHBondContact CD2-SG 3.27Å; Y398-C526 HydrophobicContact CE1-CB 4.18Å; Y398-C526 HydrophobicContact CE2-CB 3.75Å; Y398-C526 HydrophobicContact CG-CB 3.66Å; I522-C526 HydrophobicContact CG2-CB 3.74Å; P523-C526 HydrophobicContact CG-CB 3.95Å; P523-C526 WeakPolarHBondContact O-CA 3.38Å; P523-C526 WeakPolarHBondContact O-CB 3.27Å; P523-C526 PolarHBondContact O-N 3.21Å; E524-C526 PolarHBondContact O-N 3.29Å; C526-E528 VanDerWaalsContact C-N 3.31Å; C526-E528 PolarHBondContact O-N 3.06Å; C526-V529 PolarHBondContact O-N 3.33Å; C526-V529 VanDerWaalsContact O-N 3.17Å; C526-I530 WeakPolarHBondContact O-CG1 3.46Å; C526-I530 PolarHBondContact O-N 3.11Å |
| 527 | Q | 98.5 | Very high | 98.3 | Very high | 55 Ų | 55 | 58.1 Ų | 58.1 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63 | -38.4 | 175.8 | -58.7 | -179.9 | 41.9 | 0 | 0 | 111.2 | I522 P523 E524 V529 I530 E531 | I522-Q527 HydrophobicContact CG2-CG 3.71Å; I522-Q527 PolarHBondContact O-NE2 3.03Å; P523-Q527 WeakPolarHBondContact O-CG 3.28Å; P523-Q527 PolarHBondContact O-N 3.08Å; P523-Q527 VanDerWaalsContact O-N 3.12Å; E524-Q527 WeakPolarHBondContact O-CA 3.14Å; E524-Q527 WeakPolarHBondContact O-CB 3.48Å; E524-Q527 PolarHBondContact O-N 3.13Å; Q527-V529 VanDerWaalsContact C-N 3.33Å; Q527-V529 PolarHBondContact O-N 3.37Å; Q527-I530 WeakPolarHBondContact O-CB 3.31Å; Q527-I530 PolarHBondContact O-N 3.16Å; Q527-E531 WeakPolarHBondContact O-CG 3.39Å; Q527-E531 PolarHBondContact O-N 2.86Å |
| 528 | E | 98.4 | Very high | 98.3 | Very high | 140 Ų | 140 | 58.7 Ų | 58.7 | 65% | 0.654 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60 | -41 | 172.5 | -67.7 | -178.9 | 175.4 | 0 | 0 | 112.6 | E524 C526 I530 E531 R532 | E524-E528 PolarHBondContact O-N 3.27Å; C526-E528 VanDerWaalsContact C-N 3.31Å; C526-E528 PolarHBondContact O-N 3.06Å; E528-I530 VanDerWaalsContact C-N 3.33Å; E528-E531 PolarHBondContact O-N 2.95Å; E528-R532 WeakPolarHBondContact O-CB 3.49Å; E528-R532 PolarHBondContact O-N 3.06Å |
| 529 | V | 98.5 | Very high | 98.3 | Very high | 40 Ų | 40 | 61.1 Ų | 61.1 | 24% | 0.242 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 176.1 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | L383 P390 A394 E525 C526 Q527 S533 | L383-V529 HydrophobicContact CD2-CB 4.5Å; L383-V529 HydrophobicContact CD2-CG1 3.84Å; P390-V529 HydrophobicContact CB-CG1 4.48Å; A394-V529 HydrophobicContact CB-CG1 4.09Å; E525-V529 WeakPolarHBondContact O-CG2 3.31Å; C526-V529 PolarHBondContact O-N 3.33Å; C526-V529 VanDerWaalsContact O-N 3.17Å; Q527-V529 VanDerWaalsContact C-N 3.33Å; Q527-V529 PolarHBondContact O-N 3.37Å; V529-S533 WeakPolarHBondContact O-CB 3.38Å; V529-S533 PolarHBondContact O-N 2.83Å; V529-S533 PolarHBondContact O-OG 3.45Å |
| 530 | I | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.4 | -50.8 | 173.2 | -71.4 | 164 | 0 | 0 | 0 | 110.1 | K379 L380 A382 L383 I522 C526 Q527 E528 R532 S533 L534 | K379-I530 HydrophobicContact CB-CG2 3.6Å; K379-I530 VanDerWaalsContact O-CG2 3.24Å; K379-I530 WeakPolarHBondContact O-CG2 3.43Å; L380-I530 HydrophobicContact CD1-CD1 4Å; A382-I530 HydrophobicContact CB-CG2 4.39Å; L383-I530 HydrophobicContact CD1-CD1 4.42Å; L383-I530 HydrophobicContact CD1-CG1 3.79Å; L383-I530 HydrophobicContact CD2-CG1 3.93Å; L383-I530 HydrophobicContact CG-CG1 3.74Å; I522-I530 HydrophobicContact CG2-CD1 3.9Å; C526-I530 WeakPolarHBondContact O-CG1 3.46Å; C526-I530 PolarHBondContact O-N 3.11Å; Q527-I530 WeakPolarHBondContact O-CB 3.31Å; Q527-I530 PolarHBondContact O-N 3.16Å; E528-I530 VanDerWaalsContact C-N 3.33Å; I530-R532 PolarHBondContact O-N 2.75Å; I530-S533 PolarHBondContact O-N 3.23Å; I530-L534 WeakPolarHBondContact O-CB 3.41Å; I530-L534 PolarHBondContact O-N 3.04Å |
| 531 | E | 98.6 | Very high | 98.3 | Very high | 85 Ų | 85 | 58.6 Ų | 58.6 | 40% | 0.397 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.3 | -38.8 | -180 | -66.9 | -63 | 164.9 | 0 | 0 | 112.3 | K379 Q527 E528 L534 S535 | K379-E531 WeakPolarHBondContact CD-OE1 3.48Å; K379-E531 WeakPolarHBondContact CE-OE1 3.4Å; K379-E531 IonicContact NZ-OE1 2.84Å; K379-E531 PolarHBondContact NZ-OE1 3.12Å; K379-E531 IonicContact NZ-OE2 3.23Å; K379-E531 PolarHBondContact NZ-OE2 2.83Å; Q527-E531 WeakPolarHBondContact O-CG 3.39Å; Q527-E531 PolarHBondContact O-N 2.86Å; E528-E531 PolarHBondContact O-N 2.95Å; E531-L534 WeakPolarHBondContact O-CB 3.45Å; E531-L534 PolarHBondContact O-N 3.43Å; E531-S535 PolarHBondContact O-N 3.13Å |
| 532 | R | 98.5 | Very high | 98.4 | Very high | 192 Ų | 192 | 59 Ų | 59 | 73% | 0.725 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -64.2 | -45 | 174.8 | -174.2 | 175.8 | -179.5 | 166.8 | 2 | 111.8 | E528 I530 L534 S535 T536 | E528-R532 WeakPolarHBondContact O-CB 3.49Å; E528-R532 PolarHBondContact O-N 3.06Å; I530-R532 PolarHBondContact O-N 2.75Å; R532-L534 VanDerWaalsContact C-N 3.28Å; R532-L534 PolarHBondContact O-N 3.03Å; R532-S535 PolarHBondContact O-N 3.41Å; R532-T536 PolarHBondContact O-N 2.69Å; R532-T536 VanDerWaalsContact O-N 3.08Å; R532-T536 PolarHBondContact O-OG1 3.5Å |
| 533 | S | 98.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 4% | 0.035 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 175.5 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | A382 V529 I530 T536 A537 | A382-S533 WeakPolarHBondContact O-CB 3.22Å; V529-S533 WeakPolarHBondContact O-CB 3.38Å; V529-S533 PolarHBondContact O-N 2.83Å; V529-S533 PolarHBondContact O-OG 3.45Å; I530-S533 PolarHBondContact O-N 3.23Å; S533-T536 PolarHBondContact O-N 3.22Å; S533-A537 WeakPolarHBondContact O-CB 3.25Å; S533-A537 PolarHBondContact O-N 3.18Å |
| 534 | L | 98.6 | Very high | 98.4 | Very high | 17 Ų | 17 | 58 Ų | 58 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 174.8 | 179.9 | 56.8 | 0 | 0 | 0 | 111.2 | K379 A382 C448 Y449 I530 E531 R532 T536 A537 T538 | K379-L534 HydrophobicContact CD-CD2 3.65Å; K379-L534 HydrophobicContact CG-CD2 4.06Å; A382-L534 HydrophobicContact CB-CB 3.75Å; A382-L534 HydrophobicContact CB-CD1 4.23Å; C448-L534 HydrophobicContact CB-CD1 3.81Å; Y449-L534 HydrophobicContact CD1-CD1 3.83Å; Y449-L534 HydrophobicContact CD1-CD2 4.22Å; I530-L534 WeakPolarHBondContact O-CB 3.41Å; I530-L534 PolarHBondContact O-N 3.04Å; E531-L534 WeakPolarHBondContact O-CB 3.45Å; E531-L534 PolarHBondContact O-N 3.43Å; R532-L534 VanDerWaalsContact C-N 3.28Å; R532-L534 PolarHBondContact O-N 3.03Å; L534-T536 VanDerWaalsContact C-N 3.34Å; L534-T536 PolarHBondContact O-N 3.44Å; L534-A537 PolarHBondContact O-N 3.41Å; L534-A537 VanDerWaalsContact O-N 3.15Å; L534-T538 WeakPolarHBondContact O-CB 3.3Å; L534-T538 PolarHBondContact O-N 2.84Å; L534-T538 PolarHBondContact O-OG1 3.5Å; L534-T538 VanDerWaalsContact O-OG1 3.08Å |
| 535 | S | 98.6 | Very high | 98.4 | Very high | 81 Ų | 81 | 52 Ų | 52 | 57% | 0.566 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -57.9 | -45.1 | 177.6 | 179.1 | 0 | 0 | 0 | 0 | 112.2 | E531 R532 A539 | E531-S535 PolarHBondContact O-N 3.13Å; R532-S535 PolarHBondContact O-N 3.41Å; S535-A539 WeakPolarHBondContact O-CB 3.17Å; S535-A539 PolarHBondContact O-N 3.16Å |
| 536 | T | 98.4 | Very high | 98.3 | Very high | 47 Ų | 47 | 46.8 Ų | 46.8 | 29% | 0.288 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.7 | -46.3 | 174.2 | -62 | 0 | 0 | 0 | 0 | 111.8 | P247 R532 S533 L534 L540 | P247-T536 HydrophobicContact CG-CG2 4.19Å; R532-T536 PolarHBondContact O-N 2.69Å; R532-T536 VanDerWaalsContact O-N 3.08Å; R532-T536 PolarHBondContact O-OG1 3.5Å; S533-T536 PolarHBondContact O-N 3.22Å; L534-T536 VanDerWaalsContact C-N 3.34Å; L534-T536 PolarHBondContact O-N 3.44Å; T536-L540 PolarHBondContact O-N 2.89Å; T536-L540 VanDerWaalsContact O-N 3.1Å |
| 537 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.8 | -41.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M249 A385 C448 S533 L534 L540 A541 | M249-A537 HydrophobicContact CE-CB 4.16Å; M249-A537 WeakPolarHBondContact CE-O 3.4Å; A385-A537 HydrophobicContact CB-CB 3.71Å; C448-A537 HydrophobicContact CB-CB 3.73Å; S533-A537 WeakPolarHBondContact O-CB 3.25Å; S533-A537 PolarHBondContact O-N 3.18Å; L534-A537 PolarHBondContact O-N 3.41Å; L534-A537 VanDerWaalsContact O-N 3.15Å; A537-L540 WeakPolarHBondContact O-CB 3.32Å; A537-L540 PolarHBondContact O-N 3.47Å; A537-A541 WeakPolarHBondContact O-CB 3.28Å; A537-A541 PolarHBondContact O-N 2.96Å |
| 538 | T | 98.6 | Very high | 98.1 | Very high | 50 Ų | 50 | 44.3 Ų | 44.3 | 31% | 0.307 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.5 | -46.4 | 175.9 | -64.6 | 0 | 0 | 0 | 0 | 111.1 | L534 L540 A541 D542 | L534-T538 WeakPolarHBondContact O-CB 3.3Å; L534-T538 PolarHBondContact O-N 2.84Å; L534-T538 PolarHBondContact O-OG1 3.5Å; L534-T538 VanDerWaalsContact O-OG1 3.08Å; T538-L540 PolarHBondContact O-N 3.22Å; T538-A541 PolarHBondContact O-N 3.36Å; T538-A541 VanDerWaalsContact O-N 3.1Å; T538-D542 WeakPolarHBondContact CG2-OD2 3.47Å; T538-D542 WeakPolarHBondContact O-CB 3.49Å; T538-D542 VanDerWaalsContact O-CG 3.26Å; T538-D542 PolarHBondContact O-N 3.04Å |
| 539 | A | 98.5 | Very high | 98 | Very high | 63 Ų | 63 | 38.1 Ų | 38.1 | 52% | 0.521 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -57.9 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S535 D543 | S535-A539 WeakPolarHBondContact O-CB 3.17Å; S535-A539 PolarHBondContact O-N 3.16Å; A539-D543 WeakPolarHBondContact O-CB 3.41Å; A539-D543 PolarHBondContact O-N 3.36Å |
| 540 | L | 98.2 | Very high | 97.9 | Very high | 24 Ų | 24 | 37.8 Ų | 37.8 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 175.1 | 179.1 | 64.6 | 0 | 0 | 0 | 112.5 | P247 V250 T536 A537 T538 V544 | P247-L540 HydrophobicContact CB-CD2 3.57Å; P247-L540 HydrophobicContact CG-CD2 4.01Å; V250-L540 HydrophobicContact CB-CD2 3.98Å; V250-L540 HydrophobicContact CB-CG 4.16Å; V250-L540 HydrophobicContact CG2-CD2 4.25Å; V250-L540 HydrophobicContact CG2-CG 4.17Å; T536-L540 PolarHBondContact O-N 2.89Å; T536-L540 VanDerWaalsContact O-N 3.1Å; A537-L540 WeakPolarHBondContact O-CB 3.32Å; A537-L540 PolarHBondContact O-N 3.47Å; T538-L540 PolarHBondContact O-N 3.22Å; L540-V544 WeakPolarHBondContact O-CG2 3.26Å |
| 541 | A | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.7 | -43.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M249 H445 A537 T538 D543 V544 | M249-A541 HydrophobicContact CE-CB 4.02Å; H445-A541 HydrophobicContact CB-CB 4.07Å; A537-A541 WeakPolarHBondContact O-CB 3.28Å; A537-A541 PolarHBondContact O-N 2.96Å; T538-A541 PolarHBondContact O-N 3.36Å; T538-A541 VanDerWaalsContact O-N 3.1Å; A541-D543 PolarHBondContact O-N 3.49Å; A541-V544 PolarHBondContact O-N 2.95Å |
| 542 | D | 98.1 | Very high | 97.5 | Very high | 115 Ų | 115 | 39.2 Ų | 39.2 | 62% | 0.615 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -64 | -28.6 | 179 | -69.8 | -16.1 | 0 | 0 | 0 | 111.7 | T538 V544 I737 | T538-D542 WeakPolarHBondContact CG2-OD2 3.47Å; T538-D542 WeakPolarHBondContact O-CB 3.49Å; T538-D542 VanDerWaalsContact O-CG 3.26Å; T538-D542 PolarHBondContact O-N 3.04Å; D542-V544 VanDerWaalsContact C-N 3.33Å; D542-I737 WeakPolarHBondContact O-CD1 3.38Å |
| 543 | D | 98.2 | Very high | 97.4 | Very high | 36 Ų | 36 | 34.5 Ų | 34.5 | 19% | 0.193 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -8.6 | 176.7 | -177.4 | 48.2 | 0 | 0 | 0 | 113.5 | A539 A541 K736 I737 S738 | A539-D543 WeakPolarHBondContact O-CB 3.41Å; A539-D543 PolarHBondContact O-N 3.36Å; A541-D543 PolarHBondContact O-N 3.49Å; D543-K736 CarbonylContact O-C 3.43Å; D543-K736 VanDerWaalsContact O-CA 3.3Å; D543-K736 WeakPolarHBondContact O-CA 3.43Å; D543-K736 WeakPolarHBondContact OD2-CD 3.38Å; D543-K736 IonicContact OD2-NZ 3.2Å; D543-K736 PolarHBondContact OD2-NZ 3.24Å; D543-I737 PolarHBondContact O-N 2.91Å; D543-I737 PolarHBondContact OD1-N 3.41Å; D543-S738 WeakPolarHBondContact OD1-CB 3.33Å; D543-S738 PolarHBondContact OD1-N 3.14Å; D543-S738 PolarHBondContact OD1-OG 2.93Å |
| 544 | V | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 123 | 179.6 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | V250 K441 L540 A541 D542 F546 K736 | V250-V544 HydrophobicContact CB-CG2 4.4Å; V250-V544 HydrophobicContact CG1-CG2 3.52Å; V250-V544 HydrophobicContact CG2-CG2 4.05Å; K441-V544 WeakPolarHBondContact CE-O 3.38Å; K441-V544 PolarHBondContact NZ-O 2.95Å; L540-V544 WeakPolarHBondContact O-CG2 3.26Å; A541-V544 PolarHBondContact O-N 2.95Å; D542-V544 VanDerWaalsContact C-N 3.33Å; V544-F546 HydrophobicContact CB-CE2 4.4Å; V544-F546 HydrophobicContact CG1-CD2 3.52Å; V544-F546 HydrophobicContact CG1-CE2 3.24Å; V544-F546 HydrophobicContact CG1-CZ 4.11Å; V544-K736 HydrophobicContact CG2-CD 4.2Å |
| 545 | D | 97.4 | Very high | 97.1 | Very high | 25 Ų | 25 | 33.9 Ų | 33.9 | 13% | 0.134 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 145 | 167.3 | -172.2 | 32.6 | 0 | 0 | 0 | 110.8 | S734 S735 I737 S744 | D545-S734 VanDerWaalsContact O-CA 3.23Å; D545-S734 WeakPolarHBondContact O-CA 3.34Å; D545-S735 PolarHBondContact N-O 2.92Å; D545-S735 PolarHBondContact O-N 3.44Å; D545-S735 VanDerWaalsContact O-N 3.11Å; D545-I737 HydrophobicContact CB-CG1 3.84Å; D545-S744 WeakPolarHBondContact CB-OG 3.27Å; D545-S744 PolarHBondContact O-OG 2.83Å; D545-S744 WeakPolarHBondContact OD2-CB 3.13Å; D545-S744 PolarHBondContact OD2-N 3.31Å; D545-S744 PolarHBondContact OD2-OG 3.41Å |
| 546 | F | 96.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 140.2 | 178.7 | -91.7 | -77.9 | 0 | 0 | 0 | 109.9 | F255 A440 K441 I444 V544 V733 S734 H745 | F255-F546 AromaticContact CE1-CE1 3.8Å; F255-F546 HydrophobicContact CE1-CE1 3.8Å; F255-F546 HydrophobicContact CE1-CZ 4.1Å; F255-F546 HydrophobicContact CZ-CE1 4.29Å; A440-F546 HydrophobicContact CB-CD1 4.21Å; A440-F546 HydrophobicContact CB-CG 4.35Å; K441-F546 HydrophobicContact CG-CB 4.21Å; K441-F546 HydrophobicContact CG-CD2 3.71Å; K441-F546 HydrophobicContact CG-CG 4.32Å; I444-F546 HydrophobicContact CD1-CE2 4.15Å; I444-F546 HydrophobicContact CD1-CZ 3.62Å; I444-F546 HydrophobicContact CG2-CE2 3.72Å; I444-F546 HydrophobicContact CG2-CZ 4.07Å; V544-F546 HydrophobicContact CB-CE2 4.4Å; V544-F546 HydrophobicContact CG1-CD2 3.52Å; V544-F546 HydrophobicContact CG1-CE2 3.24Å; V544-F546 HydrophobicContact CG1-CZ 4.11Å; F546-V733 CarbonylContact C-O 3.37Å; F546-V733 WeakPolarHBondContact CA-O 3.48Å; F546-S734 VanDerWaalsContact CE1-CB 3.48Å; F546-H745 PolarHBondContact O-CE1 2.87Å |
| 547 | H | 97.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 111.3 | 169.9 | -174.2 | 58.2 | 0 | 0 | 0 | 110.3 | E433 D437 F549 V733 S744 H745 | E433-H547 IonicContact OE2-CE1 2.73Å; D437-H547 WeakPolarHBondContact OD1-CA 3.3Å; D437-H547 IonicContact OD2-ND1 3.71Å; H547-F549 AromaticContact CD2-CD1 3.34Å; H547-F549 WeakPolarHBondContact CD2-CD1 3.43Å; H547-F549 AromaticContact CD2-CE1 3.7Å; H547-F549 AromaticContact NE2-CD1 3.36Å; H547-F549 WeakPolarHBondContact NE2-CD1 3.32Å; H547-F549 AromaticContact NE2-CE1 3.97Å; H547-F549 AromaticContact NE2-CG 3.95Å; H547-V733 HydrophobicContact CB-CB 4.43Å; H547-V733 PolarHBondContact N-O 3.08Å; H547-V733 PolarHBondContact O-N 3.29Å; H547-S744 WeakPolarHBondContact CB-O 3.46Å; H547-H745 AromaticContact CE1-CD2 3.66Å; H547-H745 AromaticContact CG-CD2 3.9Å; H547-H745 AromaticContact CG-CG 3.92Å; H547-H745 AromaticContact ND1-CD2 3.2Å; H547-H745 PolarHBondContact ND1-CD2 3.36Å; H547-H745 AromaticContact ND1-CE1 3.78Å; H547-H745 AromaticContact ND1-CG 3.69Å; H547-H745 AromaticContact ND1-NE2 3.29Å; H547-H745 PolarHBondContact ND1-NE2 3.37Å |
| 548 | S | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 123.9 | -178.9 | -173.4 | 0 | 0 | 0 | 0 | 110.4 | L436 D437 H730 F731 H732 | L436-S548 WeakPolarHBondContact CD1-O 3.49Å; D437-S548 PolarHBondContact OD1-N 2.74Å; S548-H730 PolarHBondContact OG-NE2 2.8Å; S548-F731 WeakPolarHBondContact CA-O 3.47Å; S548-F731 PolarHBondContact OG-O 2.9Å; S548-H732 PolarHBondContact OG-CE1 3.5Å; S548-H732 PolarHBondContact OG-ND1 3.14Å |
| 549 | F | 95.9 | Very high | 96.4 | Very high | 10 Ų | 10 | 31.5 Ų | 31.5 | 4% | 0.044 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 149.9 | -173.8 | 65.4 | -86.4 | 0 | 0 | 0 | 113.1 | H547 F551 H730 F731 V733 I751 Q752 | H547-F549 AromaticContact CD2-CD1 3.34Å; H547-F549 WeakPolarHBondContact CD2-CD1 3.43Å; H547-F549 AromaticContact CD2-CE1 3.7Å; H547-F549 AromaticContact NE2-CD1 3.36Å; H547-F549 WeakPolarHBondContact NE2-CD1 3.32Å; H547-F549 AromaticContact NE2-CE1 3.97Å; H547-F549 AromaticContact NE2-CG 3.95Å; F549-F551 HydrophobicContact CE2-CB 4.48Å; F549-H730 PolarHBondContact O-CD2 3.15Å; F549-H730 VanDerWaalsContact O-CD2 3.26Å; F549-F731 HydrophobicContact CD1-CB 4.24Å; F549-F731 HydrophobicContact CE1-CB 3.72Å; F549-F731 HydrophobicContact CE1-CG 4.49Å; F549-F731 HydrophobicContact CE2-CB 4.07Å; F549-F731 AromaticContact CE2-CD2 3.78Å; F549-F731 HydrophobicContact CE2-CD2 3.78Å; F549-F731 HydrophobicContact CE2-CG 4.2Å; F549-F731 HydrophobicContact CZ-CB 3.63Å; F549-F731 AromaticContact CZ-CD2 3.96Å; F549-F731 HydrophobicContact CZ-CD2 3.96Å; F549-F731 AromaticContact CZ-CG 3.92Å; F549-F731 HydrophobicContact CZ-CG 3.92Å; F549-F731 PolarHBondContact N-O 3.46Å; F549-F731 PolarHBondContact O-N 3.05Å; F549-V733 HydrophobicContact CE1-CG2 4.19Å; F549-I751 HydrophobicContact CZ-CB 4.39Å; F549-I751 HydrophobicContact CZ-CG2 4.34Å; F549-Q752 HydrophobicContact CD2-CG 4.05Å; F549-Q752 HydrophobicContact CE2-CG 3.42Å; F549-Q752 VanDerWaalsContact CE2-CG 3.42Å; F549-Q752 HydrophobicContact CZ-CG 4.01Å |
| 550 | L | 94.8 | Very high | 96.2 | Very high | 33 Ų | 33 | 34.1 Ų | 34.1 | 17% | 0.173 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 124.3 | 170.6 | -175.9 | 67.9 | 0 | 0 | 0 | 109.3 | L260 Y261 D552 L724 H730 | L260-L550 HydrophobicContact CD2-CD2 3.95Å; Y261-L550 VanDerWaalsContact OH-CD2 3.3Å; Y261-L550 WeakPolarHBondContact OH-CD2 3.39Å; L550-D552 HydrophobicContact CD2-CB 4.27Å; L550-D552 HydrophobicContact CG-CB 4.32Å; L550-L724 HydrophobicContact CD1-CD1 3.65Å; L550-H730 HydrophobicContact CD1-CB 4.43Å |
| 551 | F | 96.1 | Very high | 96 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 106.6 | 165.3 | -179.2 | -96.6 | 0 | 0 | 0 | 108.6 | F549 T553 F554 S728 I729 F731 Q752 M755 | F549-F551 HydrophobicContact CE2-CB 4.48Å; F551-T553 HydrophobicContact CZ-CG2 4.43Å; F551-F554 VanDerWaalsContact CD1-O 3.3Å; F551-F554 WeakPolarHBondContact CD1-O 3.46Å; F551-F554 AromaticContact CE1-CD1 3.84Å; F551-F554 HydrophobicContact CE1-CD1 3.84Å; F551-F554 AromaticContact CE1-CD2 3.92Å; F551-F554 HydrophobicContact CE1-CD2 3.92Å; F551-F554 AromaticContact CE1-CE1 3.75Å; F551-F554 HydrophobicContact CE1-CE1 3.75Å; F551-F554 AromaticContact CE1-CE2 3.82Å; F551-F554 HydrophobicContact CE1-CE2 3.82Å; F551-F554 AromaticContact CE1-CG 3.92Å; F551-F554 HydrophobicContact CE1-CG 3.92Å; F551-F554 AromaticContact CE1-CZ 3.73Å; F551-F554 HydrophobicContact CE1-CZ 3.73Å; F551-F554 VanDerWaalsContact CE1-O 3.24Å; F551-F554 WeakPolarHBondContact CE1-O 3.49Å; F551-F554 AromaticContact CZ-CD1 3.87Å; F551-F554 HydrophobicContact CZ-CD1 3.87Å; F551-F554 AromaticContact CZ-CE1 3.49Å; F551-F554 HydrophobicContact CZ-CE1 3.49Å; F551-F554 VanDerWaalsContact CZ-CE1 3.49Å; F551-F554 HydrophobicContact CZ-CE2 4.29Å; F551-F554 HydrophobicContact CZ-CG 4.42Å; F551-F554 AromaticContact CZ-CZ 3.72Å; F551-F554 HydrophobicContact CZ-CZ 3.72Å; F551-S728 CarbonylContact O-C 3.54Å; F551-S728 VanDerWaalsContact O-CA 3.24Å; F551-S728 WeakPolarHBondContact O-CA 3.47Å; F551-I729 WeakPolarHBondContact CA-O 3.2Å; F551-I729 WeakPolarHBondContact CB-O 3.25Å; F551-I729 PolarHBondContact N-O 2.83Å; F551-I729 PolarHBondContact O-N 3.32Å; F551-F731 HydrophobicContact CB-CD2 4.21Å; F551-F731 HydrophobicContact CB-CE2 4.04Å; F551-Q752 HydrophobicContact CD2-CB 4.44Å; F551-Q752 HydrophobicContact CD2-CG 4.2Å; F551-M755 HydrophobicContact CD1-CE 4.41Å; F551-M755 HydrophobicContact CE1-CB 4.34Å; F551-M755 HydrophobicContact CE1-CE 4.15Å; F551-M755 HydrophobicContact CE2-CB 3.98Å; F551-M755 HydrophobicContact CZ-CB 3.74Å |
| 552 | D | 94.3 | Very high | 95.7 | Very high | 114 Ų | 114 | 41.6 Ų | 41.6 | 61% | 0.61 | 21% | 0.211 | S | C | * | . | trans | -110.9 | 5.2 | -174.1 | 65.5 | -9.4 | 0 | 0 | 0 | 113.6 | L550 N727 | L550-D552 HydrophobicContact CD2-CB 4.27Å; L550-D552 HydrophobicContact CG-CB 4.32Å; D552-N727 CarbonylContact C-O 3.56Å | ||
| 553 | T | 96.6 | Very high | 95.4 | Very high | 92 Ų | 92 | 45.8 Ų | 45.8 | 56% | 0.564 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -68.2 | -38.1 | 179.1 | -49.7 | 0 | 0 | 0 | 0 | 111.6 | F551 | F551-T553 HydrophobicContact CZ-CG2 4.43Š|
| 554 | F | 96 | Very high | 95.2 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 4% | 0.039 | 22% | 0.218 | C | C | . | . | trans | -165.5 | 163.2 | 170.4 | 59.4 | -97.7 | 0 | 0 | 0 | 111.1 | F551 L558 I559 F569 N727 M755 M759 | F551-F554 VanDerWaalsContact CD1-O 3.3Å; F551-F554 WeakPolarHBondContact CD1-O 3.46Å; F551-F554 AromaticContact CE1-CD1 3.84Å; F551-F554 HydrophobicContact CE1-CD1 3.84Å; F551-F554 AromaticContact CE1-CD2 3.92Å; F551-F554 HydrophobicContact CE1-CD2 3.92Å; F551-F554 AromaticContact CE1-CE1 3.75Å; F551-F554 HydrophobicContact CE1-CE1 3.75Å; F551-F554 AromaticContact CE1-CE2 3.82Å; F551-F554 HydrophobicContact CE1-CE2 3.82Å; F551-F554 AromaticContact CE1-CG 3.92Å; F551-F554 HydrophobicContact CE1-CG 3.92Å; F551-F554 AromaticContact CE1-CZ 3.73Å; F551-F554 HydrophobicContact CE1-CZ 3.73Å; F551-F554 VanDerWaalsContact CE1-O 3.24Å; F551-F554 WeakPolarHBondContact CE1-O 3.49Å; F551-F554 AromaticContact CZ-CD1 3.87Å; F551-F554 HydrophobicContact CZ-CD1 3.87Å; F551-F554 AromaticContact CZ-CE1 3.49Å; F551-F554 HydrophobicContact CZ-CE1 3.49Å; F551-F554 VanDerWaalsContact CZ-CE1 3.49Å; F551-F554 HydrophobicContact CZ-CE2 4.29Å; F551-F554 HydrophobicContact CZ-CG 4.42Å; F551-F554 AromaticContact CZ-CZ 3.72Å; F551-F554 HydrophobicContact CZ-CZ 3.72Å; F554-L558 HydrophobicContact CB-CB 3.93Å; F554-L558 HydrophobicContact CB-CD2 3.74Å; F554-L558 HydrophobicContact CB-CG 4.48Å; F554-L558 HydrophobicContact CD1-CD2 4.23Å; F554-L558 HydrophobicContact CG-CB 4.44Å; F554-L558 HydrophobicContact CG-CD2 3.97Å; F554-I559 HydrophobicContact CD2-CD1 4.27Å; F554-I559 HydrophobicContact CD2-CG1 3.98Å; F554-I559 HydrophobicContact CE2-CD1 4.06Å; F554-I559 HydrophobicContact CE2-CG1 3.86Å; F554-F569 AromaticContact CE2-CE1 3.99Å; F554-F569 HydrophobicContact CE2-CE1 3.99Å; F554-F569 HydrophobicContact CE2-CZ 4.28Å; F554-F569 HydrophobicContact CZ-CE1 4.07Å; F554-F569 HydrophobicContact CZ-CZ 4.2Å; F554-N727 CarbonylContact C-O 3.28Å; F554-N727 VanDerWaalsContact CA-O 3.26Å; F554-N727 WeakPolarHBondContact CA-O 3.29Å; F554-N727 PolarHBondContact N-O 3.17Å; F554-M755 HydrophobicContact CE2-CE 3.82Å; F554-M755 HydrophobicContact CZ-CB 4.05Å; F554-M755 HydrophobicContact CZ-CE 4.16Å; F554-M755 WeakPolarHBondContact CZ-O 3.29Å; F554-M759 HydrophobicContact CD1-CB 4.48Å; F554-M759 HydrophobicContact CD1-CE 4.43Å; F554-M759 HydrophobicContact CD1-CG 4.21Å; F554-M759 HydrophobicContact CD2-CE 3.71Å; F554-M759 HydrophobicContact CE1-CB 3.69Å; F554-M759 HydrophobicContact CE1-CE 4.24Å; F554-M759 HydrophobicContact CE1-CG 3.91Å; F554-M759 HydrophobicContact CE2-CE 3.49Å; F554-M759 VanDerWaalsContact CE2-CE 3.49Å; F554-M759 HydrophobicContact CG-CE 4.19Å; F554-M759 HydrophobicContact CZ-CB 3.82Å; F554-M759 HydrophobicContact CZ-CE 3.78Å; F554-M759 HydrophobicContact CZ-CG 4.22Å | ||
| 555 | G | 94.5 | Very high | 95 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -130.7 | -150.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G557 L558 I559 E726 N727 | G555-G557 PolarHBondContact O-N 2.76Å; G555-G557 VanDerWaalsContact O-N 3.1Å; G555-L558 PolarHBondContact O-N 2.97Å; G555-I559 WeakPolarHBondContact O-CG1 3.5Å; G555-I559 PolarHBondContact O-N 3.17Å; G555-E726 CarbonylContact C-O 3.51Å; G555-E726 VanDerWaalsContact CA-O 3.23Å; G555-E726 WeakPolarHBondContact CA-O 3.36Å; G555-E726 PolarHBondContact N-O 3.17Å; G555-E726 VanDerWaalsContact N-O 3.14Å; G555-N727 VanDerWaalsContact N-CA 3.28Å; G555-N727 PolarHBondContact N-O 3.36Å | ||
| 556 | K | 93.4 | Very high | 95 | Very high | 49 Ų | 49 | 46 Ų | 46 | 21% | 0.213 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.1 | -23 | -176 | 76.3 | -153.9 | 169.4 | -162.1 | 0 | 113.5 | K560 P566 I723 L724 D725 E726 | K556-K560 VanDerWaalsContact O-CB 3.32Å; K556-K560 WeakPolarHBondContact O-CB 3.4Å; K556-K560 WeakPolarHBondContact O-CG 3.39Å; K556-K560 PolarHBondContact O-N 2.78Å; K556-P566 HydrophobicContact CB-CB 4.21Å; K556-P566 HydrophobicContact CB-CG 3.95Å; K556-I723 HydrophobicContact CB-CG2 3.7Å; K556-I723 HydrophobicContact CD-CG2 3.96Å; K556-I723 HydrophobicContact CG-CG2 4.39Å; K556-L724 PolarHBondContact NZ-O 2.94Å; K556-L724 VanDerWaalsContact NZ-O 3.11Å; K556-D725 WeakPolarHBondContact CD-O 3.44Å; K556-D725 VanDerWaalsContact CG-O 3.25Å; K556-D725 WeakPolarHBondContact CG-O 3.25Å; K556-D725 PolarHBondContact N-O 3.3Å; K556-E726 VanDerWaalsContact CE-OE1 3.31Å; K556-E726 WeakPolarHBondContact CE-OE1 3.09Å |
| 557 | G | 93.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 11% | 0.113 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.5 | -46.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G555 K561 E726 | G555-G557 PolarHBondContact O-N 2.76Å; G555-G557 VanDerWaalsContact O-N 3.1Å; G557-K561 WeakPolarHBondContact O-CG 3.39Å; G557-E726 WeakPolarHBondContact CA-OE2 3.16Å; G557-E726 PolarHBondContact N-O 2.88Å; G557-E726 PolarHBondContact N-OE2 2.94Å |
| 558 | L | 95.2 | Very high | 94.9 | Very high | 68 Ų | 68 | 46.3 Ų | 46.3 | 36% | 0.356 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -72.4 | -42.4 | 176.5 | -170.1 | 59.5 | 0 | 0 | 0 | 111.4 | F554 G555 K560 K561 M759 | F554-L558 HydrophobicContact CB-CB 3.93Å; F554-L558 HydrophobicContact CB-CD2 3.74Å; F554-L558 HydrophobicContact CB-CG 4.48Å; F554-L558 HydrophobicContact CD1-CD2 4.23Å; F554-L558 HydrophobicContact CG-CB 4.44Å; F554-L558 HydrophobicContact CG-CD2 3.97Å; G555-L558 PolarHBondContact O-N 2.97Å; L558-K560 VanDerWaalsContact C-N 3.32Å; L558-K560 PolarHBondContact O-N 3.3Å; L558-K561 HydrophobicContact CD1-CD 4.27Å; L558-K561 WeakPolarHBondContact O-CB 3.28Å; L558-K561 PolarHBondContact O-N 2.87Å; L558-M759 HydrophobicContact CB-CE 4.26Å; L558-M759 HydrophobicContact CD2-CE 3.93Å; L558-M759 HydrophobicContact CD2-CG 3.78Å; L558-M759 HydrophobicContact CD2-SD 3.69Å; L558-M759 HydrophobicContact CG-CE 3.8Å; L558-M759 HydrophobicContact CG-CG 4.45Å; L558-M759 HydrophobicContact CG-SD 3.69Å |
| 559 | I | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.4 | -42.9 | 179.1 | -60.1 | 164.8 | 0 | 0 | 0 | 111.2 | F554 G555 K561 T562 P566 F569 I729 M755 M759 | F554-I559 HydrophobicContact CD2-CD1 4.27Å; F554-I559 HydrophobicContact CD2-CG1 3.98Å; F554-I559 HydrophobicContact CE2-CD1 4.06Å; F554-I559 HydrophobicContact CE2-CG1 3.86Å; G555-I559 WeakPolarHBondContact O-CG1 3.5Å; G555-I559 PolarHBondContact O-N 3.17Å; I559-K561 PolarHBondContact O-N 2.88Å; I559-T562 WeakPolarHBondContact O-CB 3.19Å; I559-T562 PolarHBondContact O-N 3.06Å; I559-T562 PolarHBondContact O-OG1 3.38Å; I559-P566 HydrophobicContact CD1-CB 4.47Å; I559-P566 HydrophobicContact CG2-CB 4.39Å; I559-P566 HydrophobicContact CG2-CG 4.38Å; I559-F569 HydrophobicContact CD1-CB 4.46Å; I559-F569 HydrophobicContact CD1-CD1 3.96Å; I559-F569 HydrophobicContact CD1-CE1 4.47Å; I559-F569 HydrophobicContact CD1-CG 4.22Å; I559-F569 HydrophobicContact CG1-CD1 4.15Å; I559-F569 HydrophobicContact CG1-CD2 4.37Å; I559-F569 HydrophobicContact CG1-CE1 4.41Å; I559-F569 HydrophobicContact CG1-CG 4.15Å; I559-F569 HydrophobicContact CG2-CB 3.63Å; I559-F569 HydrophobicContact CG2-CD2 3.8Å; I559-F569 HydrophobicContact CG2-CG 3.76Å; I559-I729 HydrophobicContact CD1-CD1 4.14Å; I559-M755 HydrophobicContact CD1-CE 4.49Å; I559-M759 HydrophobicContact CG1-CE 3.85Å |
| 560 | K | 94.1 | Very high | 95.2 | Very high | 118 Ų | 118 | 45.9 Ų | 45.9 | 51% | 0.513 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.1 | -30 | 177.8 | -75.4 | 173 | -177.8 | 178.5 | 0 | 113.1 | K556 L558 T562 K563 P566 | K556-K560 VanDerWaalsContact O-CB 3.32Å; K556-K560 WeakPolarHBondContact O-CB 3.4Å; K556-K560 WeakPolarHBondContact O-CG 3.39Å; K556-K560 PolarHBondContact O-N 2.78Å; L558-K560 VanDerWaalsContact C-N 3.32Å; L558-K560 PolarHBondContact O-N 3.3Å; K560-T562 PolarHBondContact O-N 2.84Å; K560-K563 PolarHBondContact O-N 3.37Å; K560-P566 HydrophobicContact CG-CG 3.94Å |
| 561 | K | 94.5 | Very high | 95.3 | Very high | 171 Ų | 171 | 44.3 Ų | 44.3 | 74% | 0.743 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.9 | -23.4 | 175.6 | -67.5 | 172.2 | -174.9 | 175.7 | 0 | 112.3 | G557 L558 I559 K563 | G557-K561 WeakPolarHBondContact O-CG 3.39Å; L558-K561 HydrophobicContact CD1-CD 4.27Å; L558-K561 WeakPolarHBondContact O-CB 3.28Å; L558-K561 PolarHBondContact O-N 2.87Å; I559-K561 PolarHBondContact O-N 2.88Å; K561-K563 PolarHBondContact O-N 3Å |
| 562 | T | 92.5 | Very high | 95.5 | Very high | 14 Ų | 14 | 44.2 Ų | 44.2 | 9% | 0.086 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -2.7 | 174.2 | 79.2 | 0 | 0 | 0 | 0 | 113.2 | I559 K560 T564 M759 F762 | I559-T562 WeakPolarHBondContact O-CB 3.19Å; I559-T562 PolarHBondContact O-N 3.06Å; I559-T562 PolarHBondContact O-OG1 3.38Å; K560-T562 PolarHBondContact O-N 2.84Å; T562-T564 PolarHBondContact O-N 3.25Å; T562-T564 WeakPolarHBondContact OG1-CB 3.47Å; T562-T564 PolarHBondContact OG1-N 3.4Å; T562-T564 PolarHBondContact OG1-OG1 2.77Å; T562-T564 VanDerWaalsContact OG1-OG1 3.12Å; T562-M759 HydrophobicContact CG2-CE 4.35Å; T562-M759 HydrophobicContact CG2-SD 3.88Å; T562-F762 VanDerWaalsContact CB-CE1 3.44Å; T562-F762 HydrophobicContact CG2-CB 4.18Å; T562-F762 HydrophobicContact CG2-CD1 3.85Å; T562-F762 HydrophobicContact CG2-CD2 3.72Å; T562-F762 HydrophobicContact CG2-CE1 4.08Å; T562-F762 HydrophobicContact CG2-CE2 3.98Å; T562-F762 HydrophobicContact CG2-CG 3.64Å; T562-F762 HydrophobicContact CG2-CZ 4.14Å |
| 563 | K | 91.6 | Very high | 95.7 | Very high | 203 Ų | 203 | 38.8 Ų | 38.8 | 88% | 0.883 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 27.9 | -172.1 | -54.4 | -179.7 | 178.7 | 177.9 | 0 | 113.2 | K560 K561 | K560-K563 PolarHBondContact O-N 3.37Å; K561-K563 PolarHBondContact O-N 3Å |
| 564 | T | 93.6 | Very high | 95.8 | Very high | 11 Ų | 11 | 34.4 Ų | 34.4 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | trans | -106.8 | 142.6 | 174.5 | -54.2 | 0 | 0 | 0 | 0 | 109.9 | T562 F569 A637 | T562-T564 PolarHBondContact O-N 3.25Å; T562-T564 WeakPolarHBondContact OG1-CB 3.47Å; T562-T564 PolarHBondContact OG1-N 3.4Å; T562-T564 PolarHBondContact OG1-OG1 2.77Å; T562-T564 VanDerWaalsContact OG1-OG1 3.12Å; T564-F569 HydrophobicContact CG2-CB 4.03Å; T564-F569 HydrophobicContact CG2-CD2 4.3Å; T564-A637 HydrophobicContact CG2-CB 3.88Å | ||
| 565 | S | 94.3 | Very high | 95.9 | Very high | 35 Ų | 35 | 34.1 Ų | 34.1 | 25% | 0.245 | 16% | 0.164 | C | C | . | . | trans | -62.2 | 129.9 | 170.4 | 173.7 | 0 | 0 | 0 | 0 | 109.5 | D567 A568 F569 Q641 | S565-D567 PolarHBondContact O-N 3.08Å; S565-A568 PolarHBondContact O-N 2.51Å; S565-F569 WeakPolarHBondContact O-CB 3.48Å; S565-F569 PolarHBondContact O-N 3.05Å; S565-Q641 VanDerWaalsContact CB-CD 3.45Å; S565-Q641 PolarHBondContact OG-NE2 2.94Å | ||
| 566 | P | 96.2 | Very high | 96.1 | Very high | 19 Ų | 19 | 34.1 Ų | 34.1 | 12% | 0.123 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -54.4 | -39.9 | 178.4 | -28.7 | 36.4 | 0 | 0 | 0 | 113.9 | K556 I559 K560 F569 V570 I723 | K556-P566 HydrophobicContact CB-CB 4.21Å; K556-P566 HydrophobicContact CB-CG 3.95Å; I559-P566 HydrophobicContact CD1-CB 4.47Å; I559-P566 HydrophobicContact CG2-CB 4.39Å; I559-P566 HydrophobicContact CG2-CG 4.38Å; K560-P566 HydrophobicContact CG-CG 3.94Å; P566-F569 WeakPolarHBondContact O-CB 3.43Å; P566-F569 PolarHBondContact O-N 2.92Å; P566-V570 WeakPolarHBondContact O-CG2 3.4Å; P566-V570 PolarHBondContact O-N 3.36Å; P566-V570 VanDerWaalsContact O-N 3.08Å; P566-I723 HydrophobicContact CB-CD1 3.6Å |
| 567 | D | 95.9 | Very high | 96.4 | Very high | 11 Ų | 11 | 31.8 Ų | 31.8 | 6% | 0.059 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.4 | -48.3 | 178.8 | -177.2 | 60.3 | 0 | 0 | 0 | 111.8 | S565 F569 V570 Q571 H640 Y721 | S565-D567 PolarHBondContact O-N 3.08Å; D567-F569 VanDerWaalsContact C-N 3.26Å; D567-F569 PolarHBondContact O-N 2.81Å; D567-V570 PolarHBondContact O-N 3.04Å; D567-V570 VanDerWaalsContact O-N 3.16Å; D567-Q571 WeakPolarHBondContact O-CG 3.41Å; D567-Q571 PolarHBondContact O-N 3.01Å; D567-H640 IonicContact OD2-NE2 2.86Å; D567-Y721 PolarHBondContact OD1-OH 2.84Å |
| 568 | A | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.9 | -35.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S565 L572 A637 H640 Q641 | S565-A568 PolarHBondContact O-N 2.51Å; A568-L572 WeakPolarHBondContact O-CB 3.16Å; A568-L572 WeakPolarHBondContact O-CG 3.25Å; A568-L572 PolarHBondContact O-N 2.87Å; A568-A637 HydrophobicContact CB-CB 4.34Å; A568-H640 HydrophobicContact CB-CB 4.42Å; A568-Q641 HydrophobicContact CB-CG 4.08Å |
| 569 | F | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.5 | -48.6 | 176 | -173.6 | -77.6 | 0 | 0 | 0 | 110.9 | F554 I559 T564 S565 P566 D567 L572 A573 M755 I758 M759 F762 | F554-F569 AromaticContact CE2-CE1 3.99Å; F554-F569 HydrophobicContact CE2-CE1 3.99Å; F554-F569 HydrophobicContact CE2-CZ 4.28Å; F554-F569 HydrophobicContact CZ-CE1 4.07Å; F554-F569 HydrophobicContact CZ-CZ 4.2Å; I559-F569 HydrophobicContact CD1-CB 4.46Å; I559-F569 HydrophobicContact CD1-CD1 3.96Å; I559-F569 HydrophobicContact CD1-CE1 4.47Å; I559-F569 HydrophobicContact CD1-CG 4.22Å; I559-F569 HydrophobicContact CG1-CD1 4.15Å; I559-F569 HydrophobicContact CG1-CD2 4.37Å; I559-F569 HydrophobicContact CG1-CE1 4.41Å; I559-F569 HydrophobicContact CG1-CG 4.15Å; I559-F569 HydrophobicContact CG2-CB 3.63Å; I559-F569 HydrophobicContact CG2-CD2 3.8Å; I559-F569 HydrophobicContact CG2-CG 3.76Å; T564-F569 HydrophobicContact CG2-CB 4.03Å; T564-F569 HydrophobicContact CG2-CD2 4.3Å; S565-F569 WeakPolarHBondContact O-CB 3.48Å; S565-F569 PolarHBondContact O-N 3.05Å; P566-F569 WeakPolarHBondContact O-CB 3.43Å; P566-F569 PolarHBondContact O-N 2.92Å; D567-F569 VanDerWaalsContact C-N 3.26Å; D567-F569 PolarHBondContact O-N 2.81Å; F569-L572 PolarHBondContact O-N 2.89Å; F569-A573 WeakPolarHBondContact O-CB 3.46Å; F569-A573 PolarHBondContact O-N 2.99Å; F569-M755 HydrophobicContact CD1-CE 4.01Å; F569-M755 HydrophobicContact CD1-SD 3.83Å; F569-M755 HydrophobicContact CE1-CE 3.87Å; F569-M755 HydrophobicContact CE1-SD 3.68Å; F569-I758 HydrophobicContact CD2-CG2 4.11Å; F569-I758 HydrophobicContact CE1-CB 4.46Å; F569-I758 HydrophobicContact CE1-CG2 4.33Å; F569-I758 HydrophobicContact CE2-CB 4.2Å; F569-I758 HydrophobicContact CE2-CG2 3.37Å; F569-I758 HydrophobicContact CZ-CB 3.79Å; F569-I758 HydrophobicContact CZ-CG2 3.49Å; F569-I758 VanDerWaalsContact CZ-CG2 3.49Å; F569-M759 HydrophobicContact CE2-CE 4.03Å; F569-M759 HydrophobicContact CZ-CB 4.36Å; F569-M759 HydrophobicContact CZ-CE 3.87Å; F569-F762 HydrophobicContact CE2-CE2 4.41Å |
| 570 | V | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.4 | -48.2 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | P566 D567 L572 A573 L574 Y721 I729 F731 M755 | P566-V570 WeakPolarHBondContact O-CG2 3.4Å; P566-V570 PolarHBondContact O-N 3.36Å; P566-V570 VanDerWaalsContact O-N 3.08Å; D567-V570 PolarHBondContact O-N 3.04Å; D567-V570 VanDerWaalsContact O-N 3.16Å; V570-L572 VanDerWaalsContact C-N 3.31Å; V570-L572 PolarHBondContact O-N 3.44Å; V570-A573 CarbonylContact O-C 3.57Å; V570-A573 WeakPolarHBondContact O-CA 3.46Å; V570-A573 WeakPolarHBondContact O-CB 3.46Å; V570-A573 PolarHBondContact O-N 2.99Å; V570-L574 HydrophobicContact CG1-CD1 4.35Å; V570-L574 HydrophobicContact CG1-CG 4.32Å; V570-L574 WeakPolarHBondContact O-CG 3.48Å; V570-L574 PolarHBondContact O-N 2.9Å; V570-Y721 HydrophobicContact CB-CD2 4.48Å; V570-Y721 HydrophobicContact CB-CE2 4.14Å; V570-Y721 HydrophobicContact CG1-CD1 3.88Å; V570-Y721 HydrophobicContact CG1-CD2 3.89Å; V570-Y721 HydrophobicContact CG1-CE1 3.81Å; V570-Y721 HydrophobicContact CG1-CE2 3.82Å; V570-Y721 HydrophobicContact CG1-CG 3.93Å; V570-I729 HydrophobicContact CG2-CD1 3.99Å; V570-F731 HydrophobicContact CG1-CE1 3.72Å; V570-F731 HydrophobicContact CG1-CZ 3.98Å; V570-F731 HydrophobicContact CG2-CZ 4.45Å; V570-M755 HydrophobicContact CG2-CE 4.08Å; V570-M755 HydrophobicContact CG2-SD 4.27Å |
| 571 | Q | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -58.2 | -39.7 | 178.7 | -74.5 | -72.8 | -24.3 | 0 | 0 | 113 | D567 L574 Q575 E590 S607 H640 T686 Y721 | D567-Q571 WeakPolarHBondContact O-CG 3.41Å; D567-Q571 PolarHBondContact O-N 3.01Å; Q571-L574 WeakPolarHBondContact O-CB 3.46Å; Q571-L574 PolarHBondContact O-N 2.81Å; Q571-Q575 WeakPolarHBondContact O-CG 3.31Å; Q571-Q575 PolarHBondContact O-N 3.43Å; Q571-E590 VanDerWaalsContact CD-OE1 3.28Å; Q571-E590 VanDerWaalsContact CG-OE1 3.23Å; Q571-E590 WeakPolarHBondContact CG-OE1 3.13Å; Q571-E590 PolarHBondContact NE2-OE1 3.24Å; Q571-S607 PolarHBondContact OE1-OG 3.01Å; Q571-H640 VanDerWaalsContact CG-CE1 3.47Å; Q571-H640 WeakPolarHBondContact CG-CE1 3.36Å; Q571-T686 PolarHBondContact NE2-OG1 3.4Å; Q571-Y721 PolarHBondContact NE2-OH 3.33Å |
| 572 | L | 98.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -71.7 | -33.5 | 174.9 | -66.6 | 173 | 0 | 0 | 0 | 112.9 | A568 F569 V570 L574 Q575 L576 F615 L633 A636 A637 | A568-L572 WeakPolarHBondContact O-CB 3.16Å; A568-L572 WeakPolarHBondContact O-CG 3.25Å; A568-L572 PolarHBondContact O-N 2.87Å; F569-L572 PolarHBondContact O-N 2.89Å; V570-L572 VanDerWaalsContact C-N 3.31Å; V570-L572 PolarHBondContact O-N 3.44Å; L572-L574 VanDerWaalsContact C-N 3.32Å; L572-Q575 PolarHBondContact O-N 3.39Å; L572-L576 PolarHBondContact O-N 3.45Å; L572-F615 HydrophobicContact CB-CE1 4.17Å; L572-F615 HydrophobicContact CD2-CD1 4.47Å; L572-L633 HydrophobicContact CD1-CD1 3.76Å; L572-A636 HydrophobicContact CD1-CB 3.93Å; L572-A636 HydrophobicContact CD2-CB 3.62Å; L572-A636 HydrophobicContact CG-CB 4.46Å; L572-A637 HydrophobicContact CD1-CB 3.84Å |
| 573 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.1 | -39 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F569 V570 L576 A577 A754 M755 I758 | F569-A573 WeakPolarHBondContact O-CB 3.46Å; F569-A573 PolarHBondContact O-N 2.99Å; V570-A573 CarbonylContact O-C 3.57Å; V570-A573 WeakPolarHBondContact O-CA 3.46Å; V570-A573 WeakPolarHBondContact O-CB 3.46Å; V570-A573 PolarHBondContact O-N 2.99Å; A573-L576 PolarHBondContact O-N 2.85Å; A573-A577 VanDerWaalsContact O-CB 3.25Å; A573-A577 WeakPolarHBondContact O-CB 3.28Å; A573-A577 PolarHBondContact O-N 3.32Å; A573-A754 HydrophobicContact CB-CB 4.21Å; A573-A754 WeakPolarHBondContact O-CB 3.1Å; A573-M755 HydrophobicContact CB-CG 3.96Å; A573-M755 HydrophobicContact CB-SD 3.43Å; A573-M755 WeakPolarHBondContact CB-SD 3.49Å; A573-I758 HydrophobicContact CB-CD1 3.92Å |
| 574 | L | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | 173.9 | -63.6 | -179.3 | 0 | 0 | 0 | 111.7 | V570 Q571 L572 A577 H578 L684 T686 V719 Y721 I751 | V570-L574 HydrophobicContact CG1-CD1 4.35Å; V570-L574 HydrophobicContact CG1-CG 4.32Å; V570-L574 WeakPolarHBondContact O-CG 3.48Å; V570-L574 PolarHBondContact O-N 2.9Å; Q571-L574 WeakPolarHBondContact O-CB 3.46Å; Q571-L574 PolarHBondContact O-N 2.81Å; L572-L574 VanDerWaalsContact C-N 3.32Å; L574-A577 PolarHBondContact O-N 2.96Å; L574-H578 VanDerWaalsContact O-CB 3.23Å; L574-H578 WeakPolarHBondContact O-CB 3.36Å; L574-H578 PolarHBondContact O-N 3.05Å; L574-L684 HydrophobicContact CB-CD2 4.34Å; L574-T686 HydrophobicContact CD1-CG2 3.85Å; L574-V719 HydrophobicContact CD1-CG1 4.2Å; L574-V719 HydrophobicContact CD2-CG1 4.06Å; L574-Y721 HydrophobicContact CD1-CD1 4.49Å; L574-Y721 HydrophobicContact CD1-CE1 4.19Å; L574-I751 HydrophobicContact CD2-CD1 3.6Å; L574-I751 HydrophobicContact CD2-CG1 3.74Å; L574-I751 HydrophobicContact CD2-CG2 4.19Å |
| 575 | Q | 98.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.019 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | -44.3 | 174.1 | -67.8 | -56.8 | -70.3 | 0 | 0 | 112.1 | Q571 L572 H578 Y579 T588 C608 V616 | Q571-Q575 WeakPolarHBondContact O-CG 3.31Å; Q571-Q575 PolarHBondContact O-N 3.43Å; L572-Q575 PolarHBondContact O-N 3.39Å; Q575-H578 PolarHBondContact O-N 3.48Å; Q575-Y579 WeakPolarHBondContact O-CB 3.36Å; Q575-Y579 PolarHBondContact O-N 3.4Å; Q575-Y579 VanDerWaalsContact O-N 3.07Å; Q575-T588 PolarHBondContact NE2-OG1 3.32Å; Q575-C608 VanDerWaalsContact OE1-CA 3.3Å; Q575-C608 VanDerWaalsContact OE1-CB 3.27Å; Q575-C608 PolarHBondContact OE1-SG 2.84Å; Q575-C608 VanDerWaalsContact OE1-SG 3.38Å; Q575-V616 HydrophobicContact CB-CG2 3.99Å |
| 576 | L | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.4 | -46.9 | 177.5 | 178.7 | 58.9 | 0 | 0 | 0 | 111.7 | L572 A573 H578 Y579 R580 V616 M619 E620 A754 I758 | L572-L576 PolarHBondContact O-N 3.45Å; A573-L576 PolarHBondContact O-N 2.85Å; L576-H578 VanDerWaalsContact C-N 3.31Å; L576-H578 PolarHBondContact O-N 3.38Å; L576-Y579 PolarHBondContact O-N 2.75Å; L576-R580 WeakPolarHBondContact O-CG 3.23Å; L576-R580 PolarHBondContact O-N 2.74Å; L576-V616 HydrophobicContact CB-CG2 4.13Å; L576-V616 HydrophobicContact CD1-CG1 4.03Å; L576-V616 HydrophobicContact CD1-CG2 4.47Å; L576-M619 HydrophobicContact CD1-CB 3.81Å; L576-M619 HydrophobicContact CD1-CG 4.49Å; L576-M619 HydrophobicContact CD2-CB 4.28Å; L576-M619 HydrophobicContact CD2-CE 3.93Å; L576-M619 HydrophobicContact CD2-CG 4.23Å; L576-E620 HydrophobicContact CD1-CG 4.22Å; L576-A754 HydrophobicContact CB-CB 4.13Å; L576-A754 HydrophobicContact CD2-CB 3.96Å; L576-A754 HydrophobicContact CG-CB 4.05Å; L576-I758 HydrophobicContact CD2-CD1 4.11Å; L576-I758 HydrophobicContact CD2-CG1 3.96Å |
| 577 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59.3 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A573 L574 R580 D581 F747 N750 I751 A754 | A573-A577 VanDerWaalsContact O-CB 3.25Å; A573-A577 WeakPolarHBondContact O-CB 3.28Å; A573-A577 PolarHBondContact O-N 3.32Å; L574-A577 PolarHBondContact O-N 2.96Å; A577-R580 PolarHBondContact O-N 3Å; A577-D581 WeakPolarHBondContact O-CB 3.29Å; A577-D581 PolarHBondContact O-N 2.91Å; A577-F747 HydrophobicContact CB-CD2 4.3Å; A577-F747 HydrophobicContact CB-CE2 3.71Å; A577-N750 HydrophobicContact CB-CB 4.02Å; A577-I751 HydrophobicContact CB-CB 4.46Å; A577-I751 HydrophobicContact CB-CG1 3.85Å; A577-A754 HydrophobicContact CB-CB 4.06Å |
| 578 | H | 98.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 17 Ų | 17 | 3% | 0.028 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -66.9 | -41.7 | -177.9 | -179.3 | -75.8 | 0 | 0 | 0 | 110.7 | L574 Q575 L576 R580 D581 M582 K584 S586 L684 F747 | L574-H578 VanDerWaalsContact O-CB 3.23Å; L574-H578 WeakPolarHBondContact O-CB 3.36Å; L574-H578 PolarHBondContact O-N 3.05Å; Q575-H578 PolarHBondContact O-N 3.48Å; L576-H578 VanDerWaalsContact C-N 3.31Å; L576-H578 PolarHBondContact O-N 3.38Å; H578-R580 VanDerWaalsContact C-N 3.35Å; H578-R580 PolarHBondContact O-N 2.99Å; H578-D581 PolarHBondContact O-N 3.31Å; H578-M582 WeakPolarHBondContact O-CB 3.42Å; H578-M582 PolarHBondContact O-N 3.35Å; H578-K584 PolarHBondContact ND1-O 3.4Å; H578-S586 PolarHBondContact CE1-OG 2.76Å; H578-L684 HydrophobicContact CB-CD2 4.23Å; H578-F747 HydrophobicContact CB-CE2 4.02Å; H578-F747 HydrophobicContact CB-CZ 4.23Å |
| 579 | Y | 98.4 | Very high | 97.6 | Very high | 62 Ų | 62 | 18.7 Ų | 18.7 | 24% | 0.243 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.3 | -39.2 | 176.9 | -173.4 | -101 | 0 | 0 | 0 | 112.5 | Q575 L576 D581 G583 F585 V616 E620 | Q575-Y579 WeakPolarHBondContact O-CB 3.36Å; Q575-Y579 PolarHBondContact O-N 3.4Å; Q575-Y579 VanDerWaalsContact O-N 3.07Å; L576-Y579 PolarHBondContact O-N 2.75Å; Y579-D581 VanDerWaalsContact C-N 3.29Å; Y579-D581 PolarHBondContact O-N 3.45Å; Y579-G583 WeakPolarHBondContact O-CA 3.24Å; Y579-G583 PolarHBondContact O-N 2.95Å; Y579-F585 HydrophobicContact CD2-CD1 4.02Å; Y579-F585 HydrophobicContact CD2-CD2 4.18Å; Y579-F585 AromaticContact CD2-CE1 3.67Å; Y579-F585 HydrophobicContact CD2-CE1 3.67Å; Y579-F585 AromaticContact CD2-CE2 3.83Å; Y579-F585 HydrophobicContact CD2-CE2 3.83Å; Y579-F585 HydrophobicContact CD2-CG 4.26Å; Y579-F585 AromaticContact CD2-CZ 3.56Å; Y579-F585 HydrophobicContact CD2-CZ 3.56Å; Y579-F585 HydrophobicContact CE2-CD2 4.12Å; Y579-F585 HydrophobicContact CE2-CE1 4.31Å; Y579-F585 AromaticContact CE2-CE2 3.63Å; Y579-F585 HydrophobicContact CE2-CE2 3.63Å; Y579-F585 AromaticContact CE2-CZ 3.74Å; Y579-F585 HydrophobicContact CE2-CZ 3.74Å; Y579-F585 HydrophobicContact CG-CE1 4.12Å; Y579-F585 HydrophobicContact CG-CZ 4.16Å; Y579-V616 VanDerWaalsContact CB-CG1 3.45Å; Y579-V616 HydrophobicContact CD1-CG1 3.55Å; Y579-V616 HydrophobicContact CD2-CG1 4.33Å; Y579-V616 HydrophobicContact CE1-CG1 4.39Å; Y579-V616 HydrophobicContact CG-CG1 3.5Å; Y579-E620 HydrophobicContact CD1-CG 4.07Å; Y579-E620 HydrophobicContact CE1-CG 4.21Å |
| 580 | R | 97.8 | Very high | 97.6 | Very high | 52 Ų | 52 | 18.7 Ų | 18.7 | 20% | 0.196 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.4 | -34.7 | 173.5 | -74.4 | 171.3 | 173.5 | -177.9 | -5.8 | 113 | L576 A577 H578 E620 D757 | L576-R580 WeakPolarHBondContact O-CG 3.23Å; L576-R580 PolarHBondContact O-N 2.74Å; A577-R580 PolarHBondContact O-N 3Å; H578-R580 VanDerWaalsContact C-N 3.35Å; H578-R580 PolarHBondContact O-N 2.99Å; R580-E620 IonicContact CZ-OE1 3.67Å; R580-E620 IonicContact NE-OE1 3.72Å; R580-E620 PolarHBondContact NE-OE1 2.76Å; R580-E620 IonicContact NE-OE2 3.06Å; R580-E620 IonicContact NH2-OE1 3.57Å; R580-E620 PolarHBondContact NH2-OE1 3.35Å; R580-D757 IonicContact CZ-OD2 3.42Å; R580-D757 IonicContact NH1-OD2 3.22Å; R580-D757 PolarHBondContact NH1-OD2 2.6Å; R580-D757 IonicContact NH2-OD2 2.75Å; R580-D757 PolarHBondContact NH2-OD2 2.95Å |
| 581 | D | 96.7 | Very high | 97.5 | Very high | 20 Ų | 20 | 20 Ų | 20 | 11% | 0.107 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -78.4 | -45.2 | -177.7 | -161.8 | 73.8 | 0 | 0 | 0 | 112.4 | A577 H578 Y579 Y717 R746 F747 N750 | A577-D581 WeakPolarHBondContact O-CB 3.29Å; A577-D581 PolarHBondContact O-N 2.91Å; H578-D581 PolarHBondContact O-N 3.31Å; Y579-D581 VanDerWaalsContact C-N 3.29Å; Y579-D581 PolarHBondContact O-N 3.45Å; D581-Y717 PolarHBondContact OD2-OH 3.23Å; D581-R746 VanDerWaalsContact CG-NH2 3.35Å; D581-R746 IonicContact OD1-CZ 3.31Å; D581-R746 IonicContact OD1-NE 3.53Å; D581-R746 PolarHBondContact OD1-NE 3.01Å; D581-R746 IonicContact OD1-NH2 3.08Å; D581-R746 PolarHBondContact OD1-NH2 2.67Å; D581-R746 IonicContact OD2-CZ 2.7Å; D581-R746 IonicContact OD2-NE 3.67Å; D581-R746 IonicContact OD2-NH2 2.64Å; D581-R746 PolarHBondContact OD2-NH2 3.48Å; D581-F747 HydrophobicContact CB-CD2 4.08Å; D581-N750 PolarHBondContact OD1-ND2 2.95Å |
| 582 | M | 94.6 | Very high | 97.3 | Very high | 28 Ų | 28 | 20 Ų | 20 | 14% | 0.138 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -105.3 | -13.5 | -169.8 | -69.1 | -71.3 | -167.4 | 0 | 0 | 114.3 | H578 K584 Y717 E741 T742 | H578-M582 WeakPolarHBondContact O-CB 3.42Å; H578-M582 PolarHBondContact O-N 3.35Å; M582-K584 HydrophobicContact CB-CG 4.13Å; M582-K584 PolarHBondContact O-N 2.88Å; M582-K584 VanDerWaalsContact O-N 3.07Å; M582-Y717 HydrophobicContact CE-CD2 4.27Å; M582-Y717 HydrophobicContact CE-CE2 3.46Å; M582-Y717 VanDerWaalsContact CE-CE2 3.46Å; M582-E741 HydrophobicContact CE-CB 4.21Å; M582-E741 WeakPolarHBondContact CE-O 3.43Å; M582-E741 HydrophobicContact SD-CB 4.08Å; M582-T742 HydrophobicContact CE-CG2 3.4Å |
| 583 | G | 95.1 | Very high | 97.1 | Very high | 54 Ų | 54 | 22.3 Ų | 22.3 | 56% | 0.557 | 12% | 0.119 | S | C | * | . | S | Bend | trans | 67.1 | 3.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y579 | Y579-G583 WeakPolarHBondContact O-CA 3.24Å; Y579-G583 PolarHBondContact O-N 2.95Å |
| 584 | K | 95 | Very high | 97 | Very high | 81 Ų | 81 | 22.6 Ų | 22.6 | 35% | 0.352 | 12% | 0.121 | S | C | . | . | S | Bend | trans | -138.9 | 154.7 | -176.1 | 66.5 | -168.1 | 171.7 | -163.4 | 0 | 111.9 | H578 M582 E741 | H578-K584 PolarHBondContact ND1-O 3.4Å; M582-K584 HydrophobicContact CB-CG 4.13Å; M582-K584 PolarHBondContact O-N 2.88Å; M582-K584 VanDerWaalsContact O-N 3.07Å; K584-E741 IonicContact NZ-OE2 3.27Å; K584-E741 PolarHBondContact NZ-OE2 3.25Å |
| 585 | F | 97 | Very high | 96.9 | Very high | 27 Ų | 27 | 23 Ų | 23 | 12% | 0.118 | 12% | 0.123 | C | C | . | . | trans | -81.2 | 148.4 | 168.7 | -65.3 | -67.4 | 0 | 0 | 0 | 109.9 | L193 Y579 C613 V616 R617 | L193-F585 HydrophobicContact CD2-CB 4.2Å; Y579-F585 HydrophobicContact CD2-CD1 4.02Å; Y579-F585 HydrophobicContact CD2-CD2 4.18Å; Y579-F585 AromaticContact CD2-CE1 3.67Å; Y579-F585 HydrophobicContact CD2-CE1 3.67Å; Y579-F585 AromaticContact CD2-CE2 3.83Å; Y579-F585 HydrophobicContact CD2-CE2 3.83Å; Y579-F585 HydrophobicContact CD2-CG 4.26Å; Y579-F585 AromaticContact CD2-CZ 3.56Å; Y579-F585 HydrophobicContact CD2-CZ 3.56Å; Y579-F585 HydrophobicContact CE2-CD2 4.12Å; Y579-F585 HydrophobicContact CE2-CE1 4.31Å; Y579-F585 AromaticContact CE2-CE2 3.63Å; Y579-F585 HydrophobicContact CE2-CE2 3.63Å; Y579-F585 AromaticContact CE2-CZ 3.74Å; Y579-F585 HydrophobicContact CE2-CZ 3.74Å; Y579-F585 HydrophobicContact CG-CE1 4.12Å; Y579-F585 HydrophobicContact CG-CZ 4.16Å; F585-C613 HydrophobicContact CD1-CB 4.27Å; F585-C613 WeakPolarHBondContact CD1-SG 3.41Å; F585-C613 HydrophobicContact CD2-CB 4.3Å; F585-C613 HydrophobicContact CE1-CB 3.9Å; F585-C613 HydrophobicContact CE2-CB 3.94Å; F585-C613 HydrophobicContact CG-CB 4.47Å; F585-C613 VanDerWaalsContact CG-SG 3.59Å; F585-C613 HydrophobicContact CZ-CB 3.72Å; F585-V616 HydrophobicContact CE1-CB 3.93Å; F585-V616 HydrophobicContact CE1-CG1 3.8Å; F585-V616 HydrophobicContact CE1-CG2 4.45Å; F585-V616 HydrophobicContact CZ-CB 4.14Å; F585-V616 HydrophobicContact CZ-CG1 3.96Å; F585-R617 HydrophobicContact CE2-CG 4.29Å; F585-R617 HydrophobicContact CZ-CG 4.15Å | ||
| 586 | S | 95.6 | Very high | 96.8 | Very high | 8 Ų | 8 | 23.1 Ų | 23.1 | 6% | 0.056 | 12% | 0.123 | C | C | . | . | trans | -145.6 | 153 | -178.8 | -69.7 | 0 | 0 | 0 | 0 | 111.2 | H578 T588 C608 | H578-S586 PolarHBondContact CE1-OG 2.76Å; S586-T588 PolarHBondContact O-N 3.31Å; S586-T588 VanDerWaalsContact O-N 3.13Å; S586-T588 PolarHBondContact O-OG1 3.12Å; S586-T588 VanDerWaalsContact O-OG1 3.09Å; S586-C608 VanDerWaalsContact O-CB 3.32Å; S586-C608 WeakPolarHBondContact O-CB 3.24Å | ||
| 587 | L | 96.1 | Very high | 96.7 | Very high | 10 Ų | 10 | 23.3 Ų | 23.3 | 5% | 0.052 | 12% | 0.124 | C | C | . | . | trans | -59 | 120.1 | 179.1 | -171.5 | 68 | 0 | 0 | 0 | 109.4 | L193 E680 W682 R683 L684 | L193-L587 HydrophobicContact CD1-CB 3.95Å; L193-L587 HydrophobicContact CD1-CD1 3.71Å; L193-L587 HydrophobicContact CD1-CG 4.42Å; L587-E680 HydrophobicContact CD2-CB 3.94Å; L587-W682 HydrophobicContact CB-CE3 4.39Å; L587-W682 HydrophobicContact CD1-CE3 4.24Å; L587-W682 HydrophobicContact CD1-CH2 4.13Å; L587-W682 HydrophobicContact CD1-CZ3 3.65Å; L587-W682 HydrophobicContact CD2-CD2 3.8Å; L587-W682 HydrophobicContact CD2-CE3 3.54Å; L587-W682 HydrophobicContact CD2-CH2 3.82Å; L587-W682 HydrophobicContact CD2-CZ2 4.04Å; L587-W682 HydrophobicContact CD2-CZ3 3.58Å; L587-W682 HydrophobicContact CG-CD2 4.15Å; L587-W682 HydrophobicContact CG-CE3 3.39Å; L587-W682 HydrophobicContact CG-CH2 4.02Å; L587-W682 HydrophobicContact CG-CZ3 3.33Å; L587-R683 PolarHBondContact O-N 2.86Å; L587-L684 PolarHBondContact O-N 3.42Å | ||
| 588 | T | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 125.5 | -175.1 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | Q575 S586 R606 S607 L684 T686 | Q575-T588 PolarHBondContact NE2-OG1 3.32Å; S586-T588 PolarHBondContact O-N 3.31Å; S586-T588 VanDerWaalsContact O-N 3.13Å; S586-T588 PolarHBondContact O-OG1 3.12Å; S586-T588 VanDerWaalsContact O-OG1 3.09Å; T588-R606 WeakPolarHBondContact O-CA 3.43Å; T588-S607 PolarHBondContact O-N 2.68Å; T588-L684 CarbonylContact C-O 3.56Å; T588-L684 VanDerWaalsContact CA-O 3.28Å; T588-L684 WeakPolarHBondContact CA-O 3.32Å; T588-L684 HydrophobicContact CG2-CB 4.01Å; T588-L684 HydrophobicContact CG2-CD2 3.73Å; T588-L684 HydrophobicContact CG2-CG 3.81Å; T588-T686 HydrophobicContact CG2-CG2 4.28Å |
| 589 | Y | 98.3 | Very high | 96.4 | Very high | 36 Ų | 36 | 29.4 Ų | 29.4 | 14% | 0.141 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 130.6 | 175.3 | 179.9 | -86.8 | 0 | 0 | 0 | 109.8 | A591 T604 R655 W682 L684 T686 | Y589-A591 HydrophobicContact CE1-CB 3.89Å; Y589-T604 HydrophobicContact CD2-CG2 3.29Å; Y589-T604 HydrophobicContact CE2-CG2 3.63Å; Y589-T604 VanDerWaalsContact CE2-OG1 3.23Å; Y589-T604 WeakPolarHBondContact CE2-OG1 3.29Å; Y589-T604 HydrophobicContact CG-CG2 4.09Å; Y589-R655 PolarHBondContact OH-NH2 3.23Å; Y589-R655 VanDerWaalsContact OH-NH2 3.07Å; Y589-W682 VanDerWaalsContact CB-CE3 3.48Å; Y589-W682 HydrophobicContact CD2-CD2 4.16Å; Y589-W682 HydrophobicContact CD2-CE3 4.33Å; Y589-W682 HydrophobicContact CD2-CZ2 4.43Å; Y589-W682 HydrophobicContact CG-CD2 4.44Å; Y589-W682 HydrophobicContact CG-CE3 4.42Å; Y589-L684 PolarHBondContact N-O 3.24Å; Y589-T686 WeakPolarHBondContact O-CA 3.45Å; Y589-T686 WeakPolarHBondContact O-CB 3.34Å; Y589-T686 PolarHBondContact O-N 2.81Å; Y589-T686 PolarHBondContact O-OG1 3.49Å |
| 590 | E | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 132.1 | 160.9 | 173.7 | -175.4 | -129.4 | 0 | 0 | 110.1 | Q571 S592 V605 H640 T686 Y721 | Q571-E590 VanDerWaalsContact CD-OE1 3.28Å; Q571-E590 VanDerWaalsContact CG-OE1 3.23Å; Q571-E590 WeakPolarHBondContact CG-OE1 3.13Å; Q571-E590 PolarHBondContact NE2-OE1 3.24Å; E590-S592 PolarHBondContact O-N 3.39Å; E590-V605 HydrophobicContact CB-CB 4.06Å; E590-V605 HydrophobicContact CG-CB 4.46Å; E590-V605 PolarHBondContact N-O 3.29Å; E590-V605 PolarHBondContact O-N 3.08Å; E590-V605 WeakPolarHBondContact OE2-CB 3.49Å; E590-V605 WeakPolarHBondContact OE2-CG1 3.43Å; E590-H640 IonicContact OE1-NE2 3.44Å; E590-H640 IonicContact OE2-CE1 2.77Å; E590-H640 PolarHBondContact OE2-CE1 3.08Å; E590-H640 IonicContact OE2-NE2 3.5Å; E590-H640 PolarHBondContact OE2-NE2 3.35Å; E590-T686 WeakPolarHBondContact CA-O 3.28Å; E590-T686 WeakPolarHBondContact CA-OG1 3.49Å; E590-T686 WeakPolarHBondContact CB-OG1 3.41Å; E590-Y721 PolarHBondContact OE1-OH 3.46Å |
| 591 | A | 96.2 | Very high | 96.1 | Very high | 29 Ų | 29 | 24.9 Ų | 24.9 | 24% | 0.24 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 122.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y589 T686 | Y589-A591 HydrophobicContact CE1-CB 3.89Å; A591-T686 PolarHBondContact N-O 3.14Å |
| 592 | S | 95.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 133 | 170.6 | -173.9 | 0 | 0 | 0 | 0 | 110.9 | E590 T602 E603 M648 | E590-S592 PolarHBondContact O-N 3.39Å; S592-T602 CarbonylContact O-C 3.59Å; S592-T602 WeakPolarHBondContact O-CA 3.45Å; S592-E603 PolarHBondContact N-O 3.47Å; S592-E603 PolarHBondContact O-N 2.89Å; S592-M648 WeakPolarHBondContact OG-CG 3.48Å |
| 593 | M | 94 | Very high | 96.2 | Very high | 50 Ų | 50 | 23.7 Ų | 23.7 | 25% | 0.246 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 137.6 | -178.2 | 65.5 | 175.3 | 179.6 | 0 | 0 | 112.4 | L296 L303 R595 M648 | L296-M593 HydrophobicContact CD1-CE 4.25Å; L303-M593 HydrophobicContact CD1-CE 3.83Å; L303-M593 HydrophobicContact CD1-SD 3.86Å; L303-M593 HydrophobicContact CD2-CE 4.36Å; M593-R595 HydrophobicContact CB-CG 4.35Å; M593-R595 HydrophobicContact SD-CB 4.48Å; M593-M648 HydrophobicContact CE-CE 3.51Å; M593-M648 HydrophobicContact CG-CE 4.27Å |
| 594 | T | 96.3 | Very high | 96.4 | Very high | 6 Ų | 6 | 21.4 Ų | 21.4 | 4% | 0.037 | 10% | 0.102 | C | C | . | . | trans | -103.9 | 22.3 | 170.2 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | L174 L596 F597 R601 E603 | L174-T594 HydrophobicContact CD1-CG2 4.31Å; T594-L596 PolarHBondContact O-N 3.09Å; T594-F597 WeakPolarHBondContact O-CD2 3.25Å; T594-F597 PolarHBondContact O-N 3.22Å; T594-R601 PolarHBondContact N-O 3Å; T594-R601 PolarHBondContact OG1-N 3.41Å; T594-R601 PolarHBondContact OG1-O 2.67Å; T594-E603 HydrophobicContact CG2-CB 3.6Å | ||
| 595 | R | 96.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 17.6 Ų | 17.6 | 3% | 0.034 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -2.4 | -176.5 | -69.4 | 176.5 | 60.1 | -153.6 | -5 | 114.6 | L303 C304 M593 F597 G600 | L303-R595 CarbonylContact C-O 3.54Å; L303-R595 WeakPolarHBondContact CA-O 3.48Å; L303-R595 HydrophobicContact CB-CB 4.13Å; L303-R595 HydrophobicContact CD2-CB 4.25Å; C304-R595 HydrophobicContact CB-CB 4.32Å; C304-R595 WeakPolarHBondContact CB-O 3.47Å; C304-R595 PolarHBondContact N-O 2.86Å; C304-R595 VanDerWaalsContact O-CZ 3.31Å; C304-R595 PolarHBondContact O-NE 3.36Å; C304-R595 PolarHBondContact O-NH2 2.94Å; M593-R595 HydrophobicContact CB-CG 4.35Å; M593-R595 HydrophobicContact SD-CB 4.48Å; R595-F597 PolarHBondContact O-N 3.13Å; R595-G600 WeakPolarHBondContact CG-O 3.17Å |
| 596 | L | 96.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 16.8 Ų | 16.8 | 3% | 0.026 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.5 | 164.5 | -67 | 174.2 | 0 | 0 | 0 | 111.8 | W135 P172 L296 V301 L303 T594 M648 | W135-L596 HydrophobicContact CZ2-CD2 4.22Å; P172-L596 WeakPolarHBondContact CD-O 3.29Å; P172-L596 WeakPolarHBondContact CG-O 3.17Å; L296-L596 HydrophobicContact CD1-CD2 4.24Å; V301-L596 HydrophobicContact CG1-CD2 3.74Å; L303-L596 HydrophobicContact CD2-CD2 3.82Å; L303-L596 HydrophobicContact CD2-CG 4.34Å; T594-L596 PolarHBondContact O-N 3.09Å; L596-M648 HydrophobicContact CD1-CB 4.35Å; L596-M648 HydrophobicContact CD1-CE 4.19Å |
| 597 | F | 97.5 | Very high | 96.7 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.018 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -107.1 | 152.1 | 178.7 | -53.1 | -76.3 | 0 | 0 | 0 | 111.4 | H133 P172 R173 L174 P175 C304 T594 R595 E599 G600 M648 T649 | H133-F597 AromaticContact CE1-CE1 3.48Å; H133-F597 VanDerWaalsContact CE1-CE1 3.48Å; H133-F597 WeakPolarHBondContact CE1-CE1 3.01Å; H133-F597 AromaticContact CE1-CZ 3.56Å; H133-F597 AromaticContact NE2-CE1 3.98Å; H133-F597 AromaticContact NE2-CZ 3.86Å; P172-F597 HydrophobicContact CB-CD1 4.07Å; P172-F597 HydrophobicContact CB-CE1 4.42Å; P172-F597 HydrophobicContact CG-CD1 3.74Å; P172-F597 HydrophobicContact CG-CE1 4.11Å; P172-F597 WeakPolarHBondContact O-CA 3.38Å; R173-F597 VanDerWaalsContact O-CD1 3.26Å; R173-F597 WeakPolarHBondContact O-CD1 3.19Å; L174-F597 HydrophobicContact CB-CB 4.05Å; L174-F597 HydrophobicContact CB-CD2 4.49Å; L174-F597 HydrophobicContact CB-CG 4.12Å; L174-F597 HydrophobicContact CD1-CB 4.24Å; L174-F597 HydrophobicContact CD1-CD2 3.24Å; L174-F597 HydrophobicContact CD1-CE2 3.63Å; L174-F597 HydrophobicContact CD1-CG 3.74Å; L174-F597 HydrophobicContact CD1-CZ 4.42Å; L174-F597 HydrophobicContact CG-CD2 4.43Å; P175-F597 HydrophobicContact CG-CE1 4.27Å; P175-F597 HydrophobicContact CG-CZ 4.16Å; C304-F597 VanDerWaalsContact CB-O 3.32Å; C304-F597 WeakPolarHBondContact CB-O 3.09Å; T594-F597 WeakPolarHBondContact O-CD2 3.25Å; T594-F597 PolarHBondContact O-N 3.22Å; R595-F597 PolarHBondContact O-N 3.13Å; F597-E599 PolarHBondContact O-N 2.96Å; F597-G600 PolarHBondContact O-N 3.25Å; F597-G600 VanDerWaalsContact O-N 3.08Å; F597-M648 WeakPolarHBondContact CE2-O 3.46Å; F597-T649 WeakPolarHBondContact CZ-O 3.31Å |
| 598 | R | 95.9 | Very high | 96.8 | Very high | 76 Ų | 76 | 16.2 Ų | 16.2 | 29% | 0.287 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 132.4 | 173.9 | -175.6 | 176.3 | 175.4 | 157 | 0.2 | 110.1 | Q168 L171 P172 N230 G600 | Q168-R598 WeakPolarHBondContact O-CD 3.34Å; L171-R598 HydrophobicContact CB-CB 4.04Å; P172-R598 PolarHBondContact O-N 2.93Å; N230-R598 PolarHBondContact ND2-O 3.26Å; R598-G600 PolarHBondContact O-N 3.39Å; R598-G600 VanDerWaalsContact O-N 3.07Å |
| 599 | E | 95.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 16.5 Ų | 16.5 | 27% | 0.271 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 18.8 | -178 | -67.2 | 154.6 | -139.1 | 0 | 0 | 114 | T229 N230 S233 C304 A306 F597 R601 | T229-E599 WeakPolarHBondContact CB-OE1 3.45Å; T229-E599 VanDerWaalsContact CB-OE2 3.3Å; T229-E599 WeakPolarHBondContact CB-OE2 3.25Å; T229-E599 VanDerWaalsContact OG1-CD 3.31Å; T229-E599 PolarHBondContact OG1-OE1 3.23Å; T229-E599 PolarHBondContact OG1-OE2 2.84Å; N230-E599 HydrophobicContact CB-CB 4.07Å; S233-E599 PolarHBondContact OG-O 3.02Å; C304-E599 PolarHBondContact SG-N 2.88Å; A306-E599 HydrophobicContact CB-CG 4.02Å; F597-E599 PolarHBondContact O-N 2.96Å; E599-R601 PolarHBondContact O-N 3.27Å |
| 600 | G | 95.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | trans | -62.4 | 131.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q307 R595 F597 R598 | Q307-G600 PolarHBondContact NE2-O 2.94Å; R595-G600 WeakPolarHBondContact CG-O 3.17Å; F597-G600 PolarHBondContact O-N 3.25Å; F597-G600 VanDerWaalsContact O-N 3.08Å; R598-G600 PolarHBondContact O-N 3.39Å; R598-G600 VanDerWaalsContact O-N 3.07Å | ||
| 601 | R | 94.5 | Very high | 96.8 | Very high | 19 Ų | 19 | 20 Ų | 20 | 7% | 0.072 | 10% | 0.101 | C | C | . | . | trans | -103.1 | -102.5 | 171.4 | -69.5 | -74.6 | -61.5 | -103.7 | 1.3 | 108.1 | H473 S474 W475 A476 D477 T594 E599 | H473-R601 PolarHBondContact O-NH2 3.16Å; S474-R601 PolarHBondContact O-NH1 3Å; W475-R601 PolarHBondContact O-NH1 3.1Å; A476-R601 PolarHBondContact O-NH2 2.81Å; D477-R601 IonicContact OD1-CZ 2.71Å; D477-R601 VanDerWaalsContact OD1-CZ 3.23Å; D477-R601 IonicContact OD1-NE 3.29Å; D477-R601 PolarHBondContact OD1-NE 2.95Å; D477-R601 IonicContact OD1-NH2 2.81Å; D477-R601 PolarHBondContact OD1-NH2 2.92Å; D477-R601 WeakPolarHBondContact OD2-CA 3.38Å; D477-R601 WeakPolarHBondContact OD2-CD 3.44Å; D477-R601 IonicContact OD2-NE 2.95Å; D477-R601 PolarHBondContact OD2-NE 3.39Å; D477-R601 VanDerWaalsContact OD2-NE 3.1Å; T594-R601 PolarHBondContact N-O 3Å; T594-R601 PolarHBondContact OG1-N 3.41Å; T594-R601 PolarHBondContact OG1-O 2.67Å; E599-R601 PolarHBondContact O-N 3.27Å | ||
| 602 | T | 95.8 | Very high | 97 | Very high | 15 Ų | 15 | 18.7 Ų | 18.7 | 9% | 0.092 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 156 | -174.3 | 55.4 | 0 | 0 | 0 | 0 | 112.2 | S592 R655 | S592-T602 CarbonylContact O-C 3.59Å; S592-T602 WeakPolarHBondContact O-CA 3.45Å; T602-R655 WeakPolarHBondContact O-CG 3.3Å; T602-R655 PolarHBondContact O-NE 2.93Å; T602-R655 PolarHBondContact OG1-NH2 3.3Å |
| 603 | E | 97.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 18.7 Ų | 18.7 | 3% | 0.033 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 166.2 | 161.4 | 178.2 | 57.4 | -80.5 | 0 | 0 | 107.6 | S592 T594 A647 G652 D654 R655 | S592-E603 PolarHBondContact N-O 3.47Å; S592-E603 PolarHBondContact O-N 2.89Å; T594-E603 HydrophobicContact CG2-CB 3.6Å; E603-A647 HydrophobicContact CB-CB 4.11Å; E603-A647 HydrophobicContact CG-CB 3.77Å; E603-G652 WeakPolarHBondContact OE2-CA 3.1Å; E603-D654 PolarHBondContact OE1-N 3.39Å; E603-R655 WeakPolarHBondContact OE1-CG 3.45Å; E603-R655 PolarHBondContact OE1-N 3.44Å; E603-R655 IonicContact OE1-NH1 3.69Å |
| 604 | T | 97.7 | Very high | 97.3 | Very high | 7 Ų | 7 | 19.5 Ų | 19.5 | 4% | 0.043 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 132.7 | -178.9 | -45.2 | 0 | 0 | 0 | 0 | 111.4 | Y589 R606 D654 R655 W682 | Y589-T604 HydrophobicContact CD2-CG2 3.29Å; Y589-T604 HydrophobicContact CE2-CG2 3.63Å; Y589-T604 VanDerWaalsContact CE2-OG1 3.23Å; Y589-T604 WeakPolarHBondContact CE2-OG1 3.29Å; Y589-T604 HydrophobicContact CG-CG2 4.09Å; T604-R606 HydrophobicContact CG2-CG 4.23Å; T604-D654 WeakPolarHBondContact CB-OD2 3.31Å; T604-D654 VanDerWaalsContact OG1-CB 3.27Å; T604-D654 WeakPolarHBondContact OG1-CB 3.37Å; T604-R655 PolarHBondContact OG1-NH1 2.84Å; T604-W682 HydrophobicContact CG2-CH2 3.7Å; T604-W682 HydrophobicContact CG2-CZ2 4.27Å; T604-W682 HydrophobicContact CG2-CZ3 4.02Å |
| 605 | V | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.006 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.4 | 160.1 | 175.2 | 0 | 0 | 0 | 0 | 107.5 | E590 S607 L643 Y644 A647 | E590-V605 HydrophobicContact CB-CB 4.06Å; E590-V605 HydrophobicContact CG-CB 4.46Å; E590-V605 PolarHBondContact N-O 3.29Å; E590-V605 PolarHBondContact O-N 3.08Å; E590-V605 WeakPolarHBondContact OE2-CB 3.49Å; E590-V605 WeakPolarHBondContact OE2-CG1 3.43Å; V605-S607 PolarHBondContact O-N 3.09Å; V605-L643 HydrophobicContact CG1-CB 4Å; V605-Y644 HydrophobicContact CG2-CD2 3.83Å; V605-Y644 HydrophobicContact CG2-CG 4.3Å; V605-A647 HydrophobicContact CG2-CB 3.75Å |
| 606 | R | 98.1 | Very high | 97.6 | Very high | 9 Ų | 9 | 18.8 Ų | 18.8 | 3% | 0.034 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 90.6 | 177.4 | -65.7 | -176.6 | 172.9 | -132 | -8.4 | 109 | S189 T588 T604 C608 T609 D654 W682 | S189-R606 VanDerWaalsContact OG-CD 3.32Å; S189-R606 WeakPolarHBondContact OG-CD 3.32Å; S189-R606 PolarHBondContact OG-NH1 3.3Å; T588-R606 WeakPolarHBondContact O-CA 3.43Å; T604-R606 HydrophobicContact CG2-CG 4.23Å; R606-C608 VanDerWaalsContact C-N 3.28Å; R606-C608 PolarHBondContact O-N 2.86Å; R606-T609 WeakPolarHBondContact O-CG2 3.16Å; R606-D654 IonicContact CZ-OD1 3.38Å; R606-D654 IonicContact CZ-OD2 2.72Å; R606-D654 IonicContact NE-OD1 3.1Å; R606-D654 PolarHBondContact NE-OD1 2.92Å; R606-D654 IonicContact NE-OD2 3.17Å; R606-D654 PolarHBondContact NE-OD2 3.45Å; R606-D654 IonicContact NH2-OD1 3.2Å; R606-D654 PolarHBondContact NH2-OD1 3.34Å; R606-D654 IonicContact NH2-OD2 2.64Å; R606-W682 HydrophobicContact CG-CH2 4.04Å; R606-W682 HydrophobicContact CG-CZ3 4.16Å |
| 607 | S | 98 | Very high | 97.6 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | trans | -68.2 | -24.4 | -171.3 | -58.3 | 0 | 0 | 0 | 0 | 114.2 | Q571 T588 V605 T609 S612 H640 | Q571-S607 PolarHBondContact OE1-OG 3.01Å; T588-S607 PolarHBondContact O-N 2.68Å; V605-S607 PolarHBondContact O-N 3.09Å; S607-T609 PolarHBondContact O-N 3.48Å; S607-T609 VanDerWaalsContact O-N 3.08Å; S607-S612 PolarHBondContact O-OG 2.88Å; S607-H640 PolarHBondContact OG-CE1 3.45Å | ||
| 608 | C | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.02 | 11% | 0.113 | C | C | . | . | trans | -79.9 | 87 | 175.3 | -164.4 | 0 | 0 | 0 | 0 | 110.5 | Q575 S586 R606 | Q575-C608 VanDerWaalsContact OE1-CA 3.3Å; Q575-C608 VanDerWaalsContact OE1-CB 3.27Å; Q575-C608 PolarHBondContact OE1-SG 2.84Å; Q575-C608 VanDerWaalsContact OE1-SG 3.38Å; S586-C608 VanDerWaalsContact O-CB 3.32Å; S586-C608 WeakPolarHBondContact O-CB 3.24Å; R606-C608 VanDerWaalsContact C-N 3.28Å; R606-C608 PolarHBondContact O-N 2.86Å | ||
| 609 | T | 98.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 21.4 Ų | 21.4 | 5% | 0.049 | 10% | 0.103 | C | C | . | . | trans | -105.7 | 164.9 | 177.3 | 82.9 | 0 | 0 | 0 | 0 | 111.6 | R606 S607 E611 S612 C613 K639 L643 | R606-T609 WeakPolarHBondContact O-CG2 3.16Å; S607-T609 PolarHBondContact O-N 3.48Å; S607-T609 VanDerWaalsContact O-N 3.08Å; T609-E611 VanDerWaalsContact CB-OE2 3.25Å; T609-E611 WeakPolarHBondContact CB-OE2 3.24Å; T609-E611 PolarHBondContact O-N 2.89Å; T609-E611 PolarHBondContact OG1-N 2.63Å; T609-E611 PolarHBondContact OG1-OE2 3.42Å; T609-S612 PolarHBondContact N-OG 3.34Å; T609-S612 PolarHBondContact O-N 3.42Å; T609-S612 VanDerWaalsContact O-N 3.14Å; T609-S612 PolarHBondContact O-OG 3.03Å; T609-S612 PolarHBondContact OG1-N 2.86Å; T609-S612 VanDerWaalsContact OG1-N 3.12Å; T609-C613 PolarHBondContact O-N 3.29Å; T609-C613 PolarHBondContact O-SG 2.83Å; T609-K639 HydrophobicContact CG2-CG 4.12Å; T609-L643 HydrophobicContact CG2-CD1 3.5Å | ||
| 610 | V | 98.5 | Very high | 97.9 | Very high | 52 Ų | 52 | 22.4 Ų | 22.4 | 32% | 0.315 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -53.1 | -43.7 | 171.6 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | R191 P192 C613 N614 | R191-V610 HydrophobicContact CB-CG2 4.23Å; R191-V610 HydrophobicContact CG-CG2 4.31Å; P192-V610 HydrophobicContact CG-CG2 4.38Å; V610-C613 PolarHBondContact O-N 3.42Å; V610-N614 WeakPolarHBondContact O-CB 3.49Å; V610-N614 PolarHBondContact O-N 3.36Å; V610-N614 PolarHBondContact O-ND2 3.39Å; V610-N614 PolarHBondContact O-OD1 2.95Å |
| 611 | E | 98.8 | Very high | 98 | Very high | 58 Ų | 58 | 25.1 Ų | 25.1 | 27% | 0.271 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 178.6 | -57.7 | 85.7 | 163 | 0 | 0 | 111.8 | T609 C613 N614 F615 A636 K639 | T609-E611 VanDerWaalsContact CB-OE2 3.25Å; T609-E611 WeakPolarHBondContact CB-OE2 3.24Å; T609-E611 PolarHBondContact O-N 2.89Å; T609-E611 PolarHBondContact OG1-N 2.63Å; T609-E611 PolarHBondContact OG1-OE2 3.42Å; E611-C613 VanDerWaalsContact C-N 3.35Å; E611-N614 PolarHBondContact O-N 3.13Å; E611-F615 WeakPolarHBondContact O-CB 3.42Å; E611-F615 PolarHBondContact O-N 3.01Å; E611-A636 HydrophobicContact CB-CB 4.2Å; E611-K639 HydrophobicContact CB-CB 4.26Å; E611-K639 HydrophobicContact CG-CB 4.13Å; E611-K639 HydrophobicContact CG-CG 4.3Å; E611-K639 WeakPolarHBondContact OE1-CD 3.18Å; E611-K639 WeakPolarHBondContact OE1-CE 3.43Å; E611-K639 IonicContact OE1-NZ 2.71Å; E611-K639 WeakPolarHBondContact OE2-CG 3.32Å |
| 612 | S | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.3 | -40.6 | 174.9 | 74.3 | 0 | 0 | 0 | 0 | 112 | S607 T609 F615 V616 | S607-S612 PolarHBondContact O-OG 2.88Å; T609-S612 PolarHBondContact N-OG 3.34Å; T609-S612 PolarHBondContact O-N 3.42Å; T609-S612 VanDerWaalsContact O-N 3.14Å; T609-S612 PolarHBondContact O-OG 3.03Å; T609-S612 PolarHBondContact OG1-N 2.86Å; T609-S612 VanDerWaalsContact OG1-N 3.12Å; S612-F615 PolarHBondContact O-N 2.9Å; S612-V616 WeakPolarHBondContact O-CB 3.41Å; S612-V616 VanDerWaalsContact O-CG2 3.28Å; S612-V616 WeakPolarHBondContact O-CG2 3.44Å; S612-V616 PolarHBondContact O-N 3.16Å |
| 613 | C | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.9 | -40.9 | 179.6 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | P192 F585 T609 V610 E611 V616 R617 | P192-C613 HydrophobicContact CB-CB 4.29Å; P192-C613 WeakPolarHBondContact CB-SG 3.4Å; F585-C613 HydrophobicContact CD1-CB 4.27Å; F585-C613 WeakPolarHBondContact CD1-SG 3.41Å; F585-C613 HydrophobicContact CD2-CB 4.3Å; F585-C613 HydrophobicContact CE1-CB 3.9Å; F585-C613 HydrophobicContact CE2-CB 3.94Å; F585-C613 HydrophobicContact CG-CB 4.47Å; F585-C613 VanDerWaalsContact CG-SG 3.59Å; F585-C613 HydrophobicContact CZ-CB 3.72Å; T609-C613 PolarHBondContact O-N 3.29Å; T609-C613 PolarHBondContact O-SG 2.83Å; V610-C613 PolarHBondContact O-N 3.42Å; E611-C613 VanDerWaalsContact C-N 3.35Å; C613-V616 PolarHBondContact O-N 2.98Å; C613-R617 WeakPolarHBondContact O-CB 3.47Å; C613-R617 WeakPolarHBondContact O-CG 3.3Å; C613-R617 PolarHBondContact O-N 2.9Å |
| 614 | N | 98.6 | Very high | 97.9 | Very high | 67 Ų | 67 | 37.1 Ų | 37.1 | 36% | 0.358 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 176.4 | -68.7 | -9.7 | 0 | 0 | 0 | 111 | V610 E611 A618 L632 | V610-N614 WeakPolarHBondContact O-CB 3.49Å; V610-N614 PolarHBondContact O-N 3.36Å; V610-N614 PolarHBondContact O-ND2 3.39Å; V610-N614 PolarHBondContact O-OD1 2.95Å; E611-N614 PolarHBondContact O-N 3.13Å; N614-A618 WeakPolarHBondContact O-CB 3.4Å; N614-A618 PolarHBondContact O-N 3.38Å; N614-L632 HydrophobicContact CB-CD2 4.31Å |
| 615 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.6 | -48 | 173.4 | 161.5 | -110.2 | 0 | 0 | 0 | 112.1 | L572 E611 S612 A618 M619 L632 L633 A636 I758 | L572-F615 HydrophobicContact CB-CE1 4.17Å; L572-F615 HydrophobicContact CD2-CD1 4.47Å; E611-F615 WeakPolarHBondContact O-CB 3.42Å; E611-F615 PolarHBondContact O-N 3.01Å; S612-F615 PolarHBondContact O-N 2.9Å; F615-A618 PolarHBondContact O-N 2.86Å; F615-M619 HydrophobicContact CD2-CG 4.04Å; F615-M619 HydrophobicContact CE1-CG 4.35Å; F615-M619 HydrophobicContact CE2-CG 3.35Å; F615-M619 HydrophobicContact CE2-SD 3.97Å; F615-M619 HydrophobicContact CZ-CG 3.53Å; F615-M619 HydrophobicContact CZ-SD 4.31Å; F615-M619 PolarHBondContact O-N 2.99Å; F615-L632 HydrophobicContact CB-CB 4.04Å; F615-L632 HydrophobicContact CD2-CB 4.45Å; F615-L633 HydrophobicContact CD1-CD1 4.47Å; F615-L633 HydrophobicContact CD2-CB 3.7Å; F615-L633 HydrophobicContact CD2-CD1 4.27Å; F615-L633 HydrophobicContact CE1-CD1 3.99Å; F615-L633 HydrophobicContact CE2-CB 3.63Å; F615-L633 HydrophobicContact CE2-CD1 3.77Å; F615-L633 HydrophobicContact CE2-CG 4.19Å; F615-L633 HydrophobicContact CG-CB 4.49Å; F615-L633 HydrophobicContact CZ-CB 4.38Å; F615-L633 HydrophobicContact CZ-CD1 3.61Å; F615-L633 HydrophobicContact CZ-CG 4.49Å; F615-A636 HydrophobicContact CB-CB 4.11Å; F615-I758 HydrophobicContact CE1-CD1 4.04Å; F615-I758 HydrophobicContact CZ-CD1 3.83Å; F615-I758 HydrophobicContact CZ-CG1 3.9Å |
| 616 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 180 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | Q575 L576 Y579 F585 S612 C613 A618 M619 E620 | Q575-V616 HydrophobicContact CB-CG2 3.99Å; L576-V616 HydrophobicContact CB-CG2 4.13Å; L576-V616 HydrophobicContact CD1-CG1 4.03Å; L576-V616 HydrophobicContact CD1-CG2 4.47Å; Y579-V616 VanDerWaalsContact CB-CG1 3.45Å; Y579-V616 HydrophobicContact CD1-CG1 3.55Å; Y579-V616 HydrophobicContact CD2-CG1 4.33Å; Y579-V616 HydrophobicContact CE1-CG1 4.39Å; Y579-V616 HydrophobicContact CG-CG1 3.5Å; F585-V616 HydrophobicContact CE1-CB 3.93Å; F585-V616 HydrophobicContact CE1-CG1 3.8Å; F585-V616 HydrophobicContact CE1-CG2 4.45Å; F585-V616 HydrophobicContact CZ-CB 4.14Å; F585-V616 HydrophobicContact CZ-CG1 3.96Å; S612-V616 WeakPolarHBondContact O-CB 3.41Å; S612-V616 VanDerWaalsContact O-CG2 3.28Å; S612-V616 WeakPolarHBondContact O-CG2 3.44Å; S612-V616 PolarHBondContact O-N 3.16Å; C613-V616 PolarHBondContact O-N 2.98Å; V616-A618 VanDerWaalsContact C-N 3.33Å; V616-A618 PolarHBondContact O-N 3.06Å; V616-M619 WeakPolarHBondContact O-CB 3.49Å; V616-M619 PolarHBondContact O-N 3.38Å; V616-M619 VanDerWaalsContact O-N 3.16Å; V616-E620 PolarHBondContact O-N 2.79Å; V616-E620 VanDerWaalsContact O-N 3.15Å |
| 617 | R | 98.5 | Very high | 97.4 | Very high | 117 Ų | 117 | 51.6 Ų | 51.6 | 44% | 0.442 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.6 | -45 | 175.5 | -73.8 | 177.1 | -177.9 | 125.4 | 0.9 | 111.7 | F585 C613 M619 E620 D621 | F585-R617 HydrophobicContact CE2-CG 4.29Å; F585-R617 HydrophobicContact CZ-CG 4.15Å; C613-R617 WeakPolarHBondContact O-CB 3.47Å; C613-R617 WeakPolarHBondContact O-CG 3.3Å; C613-R617 PolarHBondContact O-N 2.9Å; R617-M619 VanDerWaalsContact C-N 3.3Å; R617-M619 PolarHBondContact O-N 2.96Å; R617-E620 PolarHBondContact O-N 3.39Å; R617-D621 PolarHBondContact O-N 2.8Å |
| 618 | A | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.7 | -33 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N614 F615 V616 E620 D621 E624 K629 L632 | N614-A618 WeakPolarHBondContact O-CB 3.4Å; N614-A618 PolarHBondContact O-N 3.38Å; F615-A618 PolarHBondContact O-N 2.86Å; V616-A618 VanDerWaalsContact C-N 3.33Å; V616-A618 PolarHBondContact O-N 3.06Å; A618-E620 VanDerWaalsContact C-N 3.32Å; A618-D621 PolarHBondContact O-N 3.47Å; A618-E624 HydrophobicContact CB-CG 4.22Å; A618-K629 HydrophobicContact CB-CG 4.26Å; A618-K629 WeakPolarHBondContact O-CD 3.17Å; A618-K629 WeakPolarHBondContact O-CE 3.46Å; A618-K629 PolarHBondContact O-NZ 3.48Å; A618-L632 HydrophobicContact CB-CD1 3.39Å |
| 619 | M | 98.2 | Very high | 97.4 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 173.4 | -82.1 | -63.4 | -68.6 | 0 | 0 | 112.1 | L576 F615 V616 R617 K629 D757 I758 L761 | L576-M619 HydrophobicContact CD1-CB 3.81Å; L576-M619 HydrophobicContact CD1-CG 4.49Å; L576-M619 HydrophobicContact CD2-CB 4.28Å; L576-M619 HydrophobicContact CD2-CE 3.93Å; L576-M619 HydrophobicContact CD2-CG 4.23Å; F615-M619 HydrophobicContact CD2-CG 4.04Å; F615-M619 HydrophobicContact CE1-CG 4.35Å; F615-M619 HydrophobicContact CE2-CG 3.35Å; F615-M619 HydrophobicContact CE2-SD 3.97Å; F615-M619 HydrophobicContact CZ-CG 3.53Å; F615-M619 HydrophobicContact CZ-SD 4.31Å; F615-M619 PolarHBondContact O-N 2.99Å; V616-M619 WeakPolarHBondContact O-CB 3.49Å; V616-M619 PolarHBondContact O-N 3.38Å; V616-M619 VanDerWaalsContact O-N 3.16Å; R617-M619 VanDerWaalsContact C-N 3.3Å; R617-M619 PolarHBondContact O-N 2.96Å; M619-K629 PolarHBondContact O-NZ 2.93Å; M619-K629 VanDerWaalsContact O-NZ 3.15Å; M619-K629 HydrophobicContact SD-CB 4.33Å; M619-K629 HydrophobicContact SD-CD 4.02Å; M619-K629 HydrophobicContact SD-CG 4.43Å; M619-D757 HydrophobicContact CE-CB 3.95Å; M619-I758 HydrophobicContact CE-CG1 4.46Å; M619-L761 HydrophobicContact SD-CD1 3.71Å; M619-L761 HydrophobicContact SD-CD2 4.18Å; M619-L761 HydrophobicContact SD-CG 4.24Å |
| 620 | E | 97.5 | Very high | 97.3 | Very high | 79 Ų | 79 | 54.5 Ų | 54.5 | 37% | 0.369 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -82.8 | -14.2 | -178.6 | -62.4 | -56.5 | 106.2 | 0 | 0 | 114.2 | L576 Y579 R580 V616 R617 A618 P622 | L576-E620 HydrophobicContact CD1-CG 4.22Å; Y579-E620 HydrophobicContact CD1-CG 4.07Å; Y579-E620 HydrophobicContact CE1-CG 4.21Å; R580-E620 IonicContact CZ-OE1 3.67Å; R580-E620 IonicContact NE-OE1 3.72Å; R580-E620 PolarHBondContact NE-OE1 2.76Å; R580-E620 IonicContact NE-OE2 3.06Å; R580-E620 IonicContact NH2-OE1 3.57Å; R580-E620 PolarHBondContact NH2-OE1 3.35Å; V616-E620 PolarHBondContact O-N 2.79Å; V616-E620 VanDerWaalsContact O-N 3.15Å; R617-E620 PolarHBondContact O-N 3.39Å; A618-E620 VanDerWaalsContact C-N 3.32Å; E620-P622 WeakPolarHBondContact O-CD 3.36Å |
| 621 | D | 97.1 | Very high | 97.3 | Very high | 59 Ų | 59 | 58 Ų | 58 | 32% | 0.316 | 30% | 0.298 | S | S | . | . | trans | -80 | 118.2 | 174.9 | -168.6 | -24.7 | 0 | 0 | 0 | 110.9 | R617 A618 S623 E624 K629 | R617-D621 PolarHBondContact O-N 2.8Å; A618-D621 PolarHBondContact O-N 3.47Å; D621-S623 VanDerWaalsContact C-N 3.27Å; D621-S623 VanDerWaalsContact CG-OG 3.28Å; D621-S623 PolarHBondContact O-N 3.15Å; D621-S623 WeakPolarHBondContact OD1-CA 3.37Å; D621-S623 WeakPolarHBondContact OD1-CB 3.48Å; D621-S623 PolarHBondContact OD1-N 3.21Å; D621-S623 PolarHBondContact OD1-OG 3.47Å; D621-S623 PolarHBondContact OD2-OG 3.17Å; D621-E624 HydrophobicContact CB-CB 4.09Å; D621-E624 HydrophobicContact CB-CG 3.65Å; D621-E624 PolarHBondContact O-N 2.86Å; D621-K629 PolarHBondContact O-NZ 3.15Å | ||
| 622 | P | 94.1 | Very high | 97.2 | Very high | 127 Ų | 127 | 56.8 Ų | 56.8 | 83% | 0.825 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -17.6 | 177.9 | 30.5 | -35.5 | 0 | 0 | 0 | 113.7 | E620 | E620-P622 WeakPolarHBondContact O-CD 3.36Š|
| 623 | S | 96 | Very high | 97.2 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 72% | 0.72 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -18.4 | 178 | 74 | 0 | 0 | 0 | 0 | 113.3 | D621 | D621-S623 VanDerWaalsContact C-N 3.27Å; D621-S623 VanDerWaalsContact CG-OG 3.28Å; D621-S623 PolarHBondContact O-N 3.15Å; D621-S623 WeakPolarHBondContact OD1-CA 3.37Å; D621-S623 WeakPolarHBondContact OD1-CB 3.48Å; D621-S623 PolarHBondContact OD1-N 3.21Å; D621-S623 PolarHBondContact OD1-OG 3.47Å; D621-S623 PolarHBondContact OD2-OG 3.17Å |
| 624 | E | 95.9 | Very high | 97.2 | Very high | 63 Ų | 63 | 63.4 Ų | 63.4 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -73.5 | 134.7 | 178.9 | -78.3 | -72.5 | -178.3 | 0 | 0 | 111.9 | A618 D621 N628 K629 | A618-E624 HydrophobicContact CB-CG 4.22Å; D621-E624 HydrophobicContact CB-CB 4.09Å; D621-E624 HydrophobicContact CB-CG 3.65Å; D621-E624 PolarHBondContact O-N 2.86Å; E624-N628 PolarHBondContact OE2-ND2 3.02Å; E624-K629 HydrophobicContact CB-CG 4.4Å; E624-K629 WeakPolarHBondContact O-CE 3.45Å |
| 625 | D | 94.1 | Very high | 97.2 | Very high | 90 Ų | 90 | 64.7 Ų | 64.7 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | trans | -79.7 | 157.9 | 178.1 | 74.8 | 62.2 | 0 | 0 | 0 | 112.3 | E627 N628 K629 | D625-E627 VanDerWaalsContact C-N 3.26Å; D625-E627 PolarHBondContact O-N 2.89Å; D625-E627 VanDerWaalsContact OD1-CA 3.3Å; D625-E627 WeakPolarHBondContact OD1-CA 3.47Å; D625-E627 VanDerWaalsContact OD1-CB 3.26Å; D625-E627 WeakPolarHBondContact OD1-CB 3.45Å; D625-E627 PolarHBondContact OD1-N 2.87Å; D625-N628 PolarHBondContact O-N 3.21Å; D625-N628 PolarHBondContact OD1-N 3.31Å; D625-K629 WeakPolarHBondContact O-CG 3.45Å; D625-K629 PolarHBondContact O-N 3.4Å; D625-K629 VanDerWaalsContact O-N 3.09Å | ||
| 626 | N | 94.7 | Very high | 97.2 | Very high | 69 Ų | 69 | 64.7 Ų | 64.7 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -67.2 | -25.8 | -177.6 | -69.9 | -33.9 | 0 | 0 | 0 | 113.3 | L630 L761 | N626-L630 VanDerWaalsContact O-CB 3.22Å; N626-L630 WeakPolarHBondContact O-CB 3.46Å; N626-L630 PolarHBondContact O-N 2.81Å; N626-L761 HydrophobicContact CB-CD2 4.42Å |
| 627 | E | 95.5 | Very high | 97.2 | Very high | 161 Ų | 161 | 65.1 Ų | 65.1 | 75% | 0.752 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70 | -44.4 | 179.4 | -173 | 179 | 171.6 | 0 | 0 | 110.2 | D625 L630 K631 | D625-E627 VanDerWaalsContact C-N 3.26Å; D625-E627 PolarHBondContact O-N 2.89Å; D625-E627 VanDerWaalsContact OD1-CA 3.3Å; D625-E627 WeakPolarHBondContact OD1-CA 3.47Å; D625-E627 VanDerWaalsContact OD1-CB 3.26Å; D625-E627 WeakPolarHBondContact OD1-CB 3.45Å; D625-E627 PolarHBondContact OD1-N 2.87Å; E627-L630 PolarHBondContact O-N 3.22Å; E627-K631 WeakPolarHBondContact O-CB 3.48Å; E627-K631 PolarHBondContact O-N 3.15Å |
| 628 | N | 96.9 | Very high | 97.1 | Very high | 44 Ų | 44 | 62.2 Ų | 62.2 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 175.2 | -167.2 | 44.2 | 0 | 0 | 0 | 111.6 | E624 D625 L630 K631 L632 | E624-N628 PolarHBondContact OE2-ND2 3.02Å; D625-N628 PolarHBondContact O-N 3.21Å; D625-N628 PolarHBondContact OD1-N 3.31Å; N628-L630 VanDerWaalsContact C-N 3.28Å; N628-L630 PolarHBondContact O-N 2.69Å; N628-K631 WeakPolarHBondContact O-CB 3.48Å; N628-K631 PolarHBondContact O-N 3.24Å; N628-K631 VanDerWaalsContact O-N 3.16Å; N628-L632 WeakPolarHBondContact O-CG 3.31Å; N628-L632 PolarHBondContact O-N 3.01Å |
| 629 | K | 98.2 | Very high | 97.1 | Very high | 20 Ų | 20 | 64 Ų | 64 | 9% | 0.087 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.9 | -45.1 | 172.7 | -68.4 | 178.2 | -162.8 | -140 | 0 | 111.5 | A618 M619 D621 E624 D625 L632 L633 L761 | A618-K629 HydrophobicContact CB-CG 4.26Å; A618-K629 WeakPolarHBondContact O-CD 3.17Å; A618-K629 WeakPolarHBondContact O-CE 3.46Å; A618-K629 PolarHBondContact O-NZ 3.48Å; M619-K629 PolarHBondContact O-NZ 2.93Å; M619-K629 VanDerWaalsContact O-NZ 3.15Å; M619-K629 HydrophobicContact SD-CB 4.33Å; M619-K629 HydrophobicContact SD-CD 4.02Å; M619-K629 HydrophobicContact SD-CG 4.43Å; D621-K629 PolarHBondContact O-NZ 3.15Å; E624-K629 HydrophobicContact CB-CG 4.4Å; E624-K629 WeakPolarHBondContact O-CE 3.45Å; D625-K629 WeakPolarHBondContact O-CG 3.45Å; D625-K629 PolarHBondContact O-N 3.4Å; D625-K629 VanDerWaalsContact O-N 3.09Å; K629-L632 PolarHBondContact O-N 2.68Å; K629-L633 WeakPolarHBondContact O-CB 3.35Å; K629-L633 PolarHBondContact O-N 3.03Å; K629-L761 HydrophobicContact CB-CD1 4.12Å; K629-L761 HydrophobicContact CB-CD2 4.06Å; K629-L761 HydrophobicContact CD-CD2 4.21Å |
| 630 | L | 97.3 | Very high | 97.1 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 178.6 | -180 | 60.4 | 0 | 0 | 0 | 112.8 | N626 E627 N628 L633 R634 F762 | N626-L630 VanDerWaalsContact O-CB 3.22Å; N626-L630 WeakPolarHBondContact O-CB 3.46Å; N626-L630 PolarHBondContact O-N 2.81Å; E627-L630 PolarHBondContact O-N 3.22Å; N628-L630 VanDerWaalsContact C-N 3.28Å; N628-L630 PolarHBondContact O-N 2.69Å; L630-L633 HydrophobicContact CD1-CD2 4.28Å; L630-R634 WeakPolarHBondContact O-CG 3.46Å; L630-R634 PolarHBondContact O-N 3.2Å; L630-R634 VanDerWaalsContact O-N 3.11Å; L630-F762 HydrophobicContact CD1-CD1 3.77Å; L630-F762 HydrophobicContact CD1-CE1 3.22Å; L630-F762 HydrophobicContact CD1-CE2 4.2Å; L630-F762 HydrophobicContact CD1-CG 4.47Å; L630-F762 HydrophobicContact CD1-CZ 3.48Å; L630-F762 VanDerWaalsContact CD1-CZ 3.48Å |
| 631 | K | 97.8 | Very high | 97 | Very high | 126 Ų | 126 | 62 Ų | 62 | 55% | 0.548 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 173.7 | 178.2 | -174.2 | 174.4 | -173.2 | 0 | 111 | E627 N628 R634 L635 | E627-K631 WeakPolarHBondContact O-CB 3.48Å; E627-K631 PolarHBondContact O-N 3.15Å; N628-K631 WeakPolarHBondContact O-CB 3.48Å; N628-K631 PolarHBondContact O-N 3.24Å; N628-K631 VanDerWaalsContact O-N 3.16Å; K631-R634 PolarHBondContact O-N 3.46Å; K631-L635 HydrophobicContact CG-CD1 4.48Å; K631-L635 WeakPolarHBondContact O-CG 3.25Å; K631-L635 PolarHBondContact O-N 2.84Å; K631-L635 VanDerWaalsContact O-N 3.09Å |
| 632 | L | 98.6 | Very high | 97 | Very high | 32 Ų | 32 | 62.1 Ų | 62.1 | 17% | 0.168 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65 | -40.3 | 178.8 | -68.9 | 171.3 | 0 | 0 | 0 | 111.9 | N614 F615 A618 N628 K629 R634 L635 A636 | N614-L632 HydrophobicContact CB-CD2 4.31Å; F615-L632 HydrophobicContact CB-CB 4.04Å; F615-L632 HydrophobicContact CD2-CB 4.45Å; A618-L632 HydrophobicContact CB-CD1 3.39Å; N628-L632 WeakPolarHBondContact O-CG 3.31Å; N628-L632 PolarHBondContact O-N 3.01Å; K629-L632 PolarHBondContact O-N 2.68Å; L632-R634 VanDerWaalsContact C-N 3.32Å; L632-R634 PolarHBondContact O-N 2.84Å; L632-L635 HydrophobicContact CD2-CD1 4.49Å; L632-L635 PolarHBondContact O-N 3Å; L632-A636 WeakPolarHBondContact O-CB 3.29Å; L632-A636 PolarHBondContact O-N 3.04Å |
| 633 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.4 | -46.7 | 172.8 | 176.1 | 65.9 | 0 | 0 | 0 | 111.8 | L572 F615 K629 L630 A636 A637 I758 L761 F762 | L572-L633 HydrophobicContact CD1-CD1 3.76Å; F615-L633 HydrophobicContact CD1-CD1 4.47Å; F615-L633 HydrophobicContact CD2-CB 3.7Å; F615-L633 HydrophobicContact CD2-CD1 4.27Å; F615-L633 HydrophobicContact CE1-CD1 3.99Å; F615-L633 HydrophobicContact CE2-CB 3.63Å; F615-L633 HydrophobicContact CE2-CD1 3.77Å; F615-L633 HydrophobicContact CE2-CG 4.19Å; F615-L633 HydrophobicContact CG-CB 4.49Å; F615-L633 HydrophobicContact CZ-CB 4.38Å; F615-L633 HydrophobicContact CZ-CD1 3.61Å; F615-L633 HydrophobicContact CZ-CG 4.49Å; K629-L633 WeakPolarHBondContact O-CB 3.35Å; K629-L633 PolarHBondContact O-N 3.03Å; L630-L633 HydrophobicContact CD1-CD2 4.28Å; L633-A636 PolarHBondContact O-N 2.81Å; L633-A637 VanDerWaalsContact O-CB 3.32Å; L633-A637 WeakPolarHBondContact O-CB 3.39Å; L633-A637 PolarHBondContact O-N 3.38Å; L633-I758 HydrophobicContact CD1-CG2 3.93Å; L633-I758 HydrophobicContact CD2-CG2 3.71Å; L633-L761 HydrophobicContact CD2-CD1 4.37Å; L633-F762 HydrophobicContact CD2-CE2 3.47Å; L633-F762 VanDerWaalsContact CD2-CE2 3.47Å; L633-F762 HydrophobicContact CD2-CZ 3.43Å; L633-F762 VanDerWaalsContact CD2-CZ 3.43Å |
| 634 | R | 97.8 | Very high | 97.2 | Very high | 139 Ų | 139 | 54.7 Ų | 54.7 | 53% | 0.525 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 179.2 | -73.1 | 173.4 | 178.7 | 148.2 | 0.7 | 112.2 | L630 K631 L632 A638 | L630-R634 WeakPolarHBondContact O-CG 3.46Å; L630-R634 PolarHBondContact O-N 3.2Å; L630-R634 VanDerWaalsContact O-N 3.11Å; K631-R634 PolarHBondContact O-N 3.46Å; L632-R634 VanDerWaalsContact C-N 3.32Å; L632-R634 PolarHBondContact O-N 2.84Å; R634-A638 VanDerWaalsContact O-CB 3.32Å; R634-A638 WeakPolarHBondContact O-CB 3.42Å; R634-A638 PolarHBondContact O-N 2.83Å |
| 635 | L | 98.4 | Very high | 97.2 | Very high | 94 Ų | 94 | 54.6 Ų | 54.6 | 49% | 0.492 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 176.1 | -69.5 | 171.9 | 0 | 0 | 0 | 111.4 | K631 L632 A637 A638 K639 | K631-L635 HydrophobicContact CG-CD1 4.48Å; K631-L635 WeakPolarHBondContact O-CG 3.25Å; K631-L635 PolarHBondContact O-N 2.84Å; K631-L635 VanDerWaalsContact O-N 3.09Å; L632-L635 HydrophobicContact CD2-CD1 4.49Å; L632-L635 PolarHBondContact O-N 3Å; L635-A637 PolarHBondContact O-N 3.47Å; L635-A638 PolarHBondContact O-N 3.05Å; L635-K639 WeakPolarHBondContact O-CB 3.15Å; L635-K639 PolarHBondContact O-N 3.29Å |
| 636 | A | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L572 E611 F615 L632 L633 A638 K639 H640 | L572-A636 HydrophobicContact CD1-CB 3.93Å; L572-A636 HydrophobicContact CD2-CB 3.62Å; L572-A636 HydrophobicContact CG-CB 4.46Å; E611-A636 HydrophobicContact CB-CB 4.2Å; F615-A636 HydrophobicContact CB-CB 4.11Å; L632-A636 WeakPolarHBondContact O-CB 3.29Å; L632-A636 PolarHBondContact O-N 3.04Å; L633-A636 PolarHBondContact O-N 2.81Å; A636-A638 PolarHBondContact O-N 3.06Å; A636-K639 PolarHBondContact O-N 2.87Å; A636-H640 WeakPolarHBondContact O-CB 3.43Å; A636-H640 PolarHBondContact O-N 2.91Å |
| 637 | A | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 48.9 Ų | 48.9 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T564 A568 L572 L633 L635 H640 Q641 | T564-A637 HydrophobicContact CG2-CB 3.88Å; A568-A637 HydrophobicContact CB-CB 4.34Å; L572-A637 HydrophobicContact CD1-CB 3.84Å; L633-A637 VanDerWaalsContact O-CB 3.32Å; L633-A637 WeakPolarHBondContact O-CB 3.39Å; L633-A637 PolarHBondContact O-N 3.38Å; L635-A637 PolarHBondContact O-N 3.47Å; A637-H640 PolarHBondContact O-N 3.4Å; A637-Q641 WeakPolarHBondContact O-CG 3.5Å; A637-Q641 PolarHBondContact O-N 3.47Å |
| 638 | A | 97.1 | Very high | 97.5 | Very high | 56 Ų | 56 | 41.8 Ų | 41.8 | 46% | 0.463 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R634 L635 A636 Q641 L642 | R634-A638 VanDerWaalsContact O-CB 3.32Å; R634-A638 WeakPolarHBondContact O-CB 3.42Å; R634-A638 PolarHBondContact O-N 2.83Å; L635-A638 PolarHBondContact O-N 3.05Å; A636-A638 PolarHBondContact O-N 3.06Å; A638-Q641 PolarHBondContact O-N 3.17Å; A638-L642 WeakPolarHBondContact O-CB 3.41Å; A638-L642 PolarHBondContact O-N 3.49Å |
| 639 | K | 98.1 | Very high | 97.4 | Very high | 40 Ų | 40 | 40.4 Ų | 40.4 | 17% | 0.174 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -49.2 | 174.2 | 179.3 | 70 | 168.6 | -162.8 | 0 | 111.1 | E188 T609 E611 L635 A636 Q641 L642 L643 | E188-K639 IonicContact OE2-NZ 3.35Å; T609-K639 HydrophobicContact CG2-CG 4.12Å; E611-K639 HydrophobicContact CB-CB 4.26Å; E611-K639 HydrophobicContact CG-CB 4.13Å; E611-K639 HydrophobicContact CG-CG 4.3Å; E611-K639 WeakPolarHBondContact OE1-CD 3.18Å; E611-K639 WeakPolarHBondContact OE1-CE 3.43Å; E611-K639 IonicContact OE1-NZ 2.71Å; E611-K639 WeakPolarHBondContact OE2-CG 3.32Å; L635-K639 WeakPolarHBondContact O-CB 3.15Å; L635-K639 PolarHBondContact O-N 3.29Å; A636-K639 PolarHBondContact O-N 2.87Å; K639-Q641 VanDerWaalsContact C-N 3.35Å; K639-Q641 PolarHBondContact O-N 2.74Å; K639-L642 WeakPolarHBondContact O-CA 3.39Å; K639-L642 WeakPolarHBondContact O-CB 3.48Å; K639-L642 PolarHBondContact O-N 3.34Å; K639-L642 VanDerWaalsContact O-N 3.07Å; K639-L643 HydrophobicContact CG-CD1 4.45Å; K639-L643 WeakPolarHBondContact O-CG 3.43Å; K639-L643 PolarHBondContact O-N 3.48Å |
| 640 | H | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 179.6 | -178.7 | 87.8 | 0 | 0 | 0 | 111.4 | D567 A568 Q571 E590 S607 A636 A637 L642 L643 Y644 | D567-H640 IonicContact OD2-NE2 2.86Å; A568-H640 HydrophobicContact CB-CB 4.42Å; Q571-H640 VanDerWaalsContact CG-CE1 3.47Å; Q571-H640 WeakPolarHBondContact CG-CE1 3.36Å; E590-H640 IonicContact OE1-NE2 3.44Å; E590-H640 IonicContact OE2-CE1 2.77Å; E590-H640 PolarHBondContact OE2-CE1 3.08Å; E590-H640 IonicContact OE2-NE2 3.5Å; E590-H640 PolarHBondContact OE2-NE2 3.35Å; S607-H640 PolarHBondContact OG-CE1 3.45Å; A636-H640 WeakPolarHBondContact O-CB 3.43Å; A636-H640 PolarHBondContact O-N 2.91Å; A637-H640 PolarHBondContact O-N 3.4Å; H640-L642 VanDerWaalsContact C-N 3.31Å; H640-L642 PolarHBondContact O-N 2.92Å; H640-L643 WeakPolarHBondContact O-CB 3.31Å; H640-L643 PolarHBondContact O-N 3.09Å; H640-L643 VanDerWaalsContact O-N 3.12Å; H640-Y644 PolarHBondContact O-N 3.3Å |
| 641 | Q | 96.6 | Very high | 97.3 | Very high | 54 Ų | 54 | 40.3 Ų | 40.3 | 25% | 0.252 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.5 | -33.1 | 174.6 | -73.4 | -68.9 | -61.5 | 0 | 0 | 113.4 | S565 A568 A637 A638 K639 R645 | S565-Q641 VanDerWaalsContact CB-CD 3.45Å; S565-Q641 PolarHBondContact OG-NE2 2.94Å; A568-Q641 HydrophobicContact CB-CG 4.08Å; A637-Q641 WeakPolarHBondContact O-CG 3.5Å; A637-Q641 PolarHBondContact O-N 3.47Å; A638-Q641 PolarHBondContact O-N 3.17Å; K639-Q641 VanDerWaalsContact C-N 3.35Å; K639-Q641 PolarHBondContact O-N 2.74Å; Q641-R645 VanDerWaalsContact O-CG 3.24Å; Q641-R645 WeakPolarHBondContact O-CG 3.46Å; Q641-R645 PolarHBondContact O-N 2.81Å; Q641-R645 VanDerWaalsContact O-N 3.15Å; Q641-R645 PolarHBondContact O-NE 3.18Å |
| 642 | L | 96.8 | Very high | 97.2 | Very high | 61 Ų | 61 | 34.6 Ų | 34.6 | 32% | 0.319 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.8 | -46.1 | 171.1 | 175.3 | 63.6 | 0 | 0 | 0 | 111.2 | F137 A638 K639 H640 Y644 R645 L646 | F137-L642 HydrophobicContact CD1-CD1 4.41Å; F137-L642 HydrophobicContact CE1-CD1 4.07Å; A638-L642 WeakPolarHBondContact O-CB 3.41Å; A638-L642 PolarHBondContact O-N 3.49Å; K639-L642 WeakPolarHBondContact O-CA 3.39Å; K639-L642 WeakPolarHBondContact O-CB 3.48Å; K639-L642 PolarHBondContact O-N 3.34Å; K639-L642 VanDerWaalsContact O-N 3.07Å; H640-L642 VanDerWaalsContact C-N 3.31Å; H640-L642 PolarHBondContact O-N 2.92Å; L642-Y644 VanDerWaalsContact C-N 3.35Å; L642-Y644 PolarHBondContact O-N 3.17Å; L642-R645 PolarHBondContact O-N 3.41Å; L642-L646 HydrophobicContact CD1-CD1 4.3Å; L642-L646 HydrophobicContact CD1-CG 4.29Å; L642-L646 HydrophobicContact CG-CD1 4.1Å; L642-L646 WeakPolarHBondContact O-CG 3.34Å; L642-L646 PolarHBondContact O-N 3.41Å |
| 643 | L | 97.8 | Very high | 97.1 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 16% | 0.162 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.3 | -43.2 | 178.1 | -65.9 | -179.5 | 0 | 0 | 0 | 111.7 | V605 T609 K639 H640 R645 L646 A647 | V605-L643 HydrophobicContact CG1-CB 4Å; T609-L643 HydrophobicContact CG2-CD1 3.5Å; K639-L643 HydrophobicContact CG-CD1 4.45Å; K639-L643 WeakPolarHBondContact O-CG 3.43Å; K639-L643 PolarHBondContact O-N 3.48Å; H640-L643 WeakPolarHBondContact O-CB 3.31Å; H640-L643 PolarHBondContact O-N 3.09Å; H640-L643 VanDerWaalsContact O-N 3.12Å; L643-R645 VanDerWaalsContact C-N 3.35Å; L643-R645 PolarHBondContact O-N 2.83Å; L643-L646 HydrophobicContact CD2-CD1 4.49Å; L643-L646 PolarHBondContact O-N 3.49Å; L643-A647 WeakPolarHBondContact O-CB 3.49Å; L643-A647 PolarHBondContact O-N 3.47Å |
| 644 | Y | 96.1 | Very high | 97.1 | Very high | 43 Ų | 43 | 34.2 Ų | 34.2 | 17% | 0.169 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 176.2 | -158.3 | -83.8 | 0 | 0 | 0 | 112.1 | V605 H640 L642 L646 A647 M648 | V605-Y644 HydrophobicContact CG2-CD2 3.83Å; V605-Y644 HydrophobicContact CG2-CG 4.3Å; H640-Y644 PolarHBondContact O-N 3.3Å; L642-Y644 VanDerWaalsContact C-N 3.35Å; L642-Y644 PolarHBondContact O-N 3.17Å; Y644-L646 PolarHBondContact O-N 3.48Å; Y644-A647 PolarHBondContact O-N 3.32Å; Y644-M648 HydrophobicContact CD1-CG 3.92Å; Y644-M648 HydrophobicContact CD1-SD 3.69Å; Y644-M648 HydrophobicContact CE1-CG 3.81Å; Y644-M648 HydrophobicContact CE1-SD 3.42Å; Y644-M648 WeakPolarHBondContact CE1-SD 3.48Å; Y644-M648 WeakPolarHBondContact O-CG 3.15Å; Y644-M648 PolarHBondContact O-N 3.48Å |
| 645 | R | 96.1 | Very high | 97.1 | Very high | 61 Ų | 61 | 28 Ų | 28 | 23% | 0.23 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.4 | -38.6 | 175.1 | -70.2 | 177.4 | -76.2 | 171.9 | 0.8 | 112.8 | M136 F137 Q641 L642 L643 T649 | M136-R645 HydrophobicContact CE-CB 4.45Å; M136-R645 HydrophobicContact CE-CG 4.04Å; M136-R645 WeakPolarHBondContact O-CD 3.28Å; F137-R645 HydrophobicContact CE1-CB 3.96Å; F137-R645 HydrophobicContact CZ-CB 4.25Å; Q641-R645 VanDerWaalsContact O-CG 3.24Å; Q641-R645 WeakPolarHBondContact O-CG 3.46Å; Q641-R645 PolarHBondContact O-N 2.81Å; Q641-R645 VanDerWaalsContact O-N 3.15Å; Q641-R645 PolarHBondContact O-NE 3.18Å; L642-R645 PolarHBondContact O-N 3.41Å; L643-R645 VanDerWaalsContact C-N 3.35Å; L643-R645 PolarHBondContact O-N 2.83Å; R645-T649 WeakPolarHBondContact O-CB 3.49Å; R645-T649 VanDerWaalsContact O-CG2 3.29Å; R645-T649 WeakPolarHBondContact O-CG2 3.09Å; R645-T649 PolarHBondContact O-N 2.82Å; R645-T649 VanDerWaalsContact O-N 3.15Å; R645-T649 PolarHBondContact O-OG1 2.94Å |
| 646 | L | 97.1 | Very high | 97.1 | Very high | 38 Ų | 38 | 23.5 Ų | 23.5 | 20% | 0.199 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.1 | -43.7 | 175.3 | -71.1 | 171.7 | 0 | 0 | 0 | 111.3 | F137 L642 L643 Y644 T649 G650 A651 | F137-L646 HydrophobicContact CE1-CD2 4.39Å; F137-L646 HydrophobicContact CZ-CD2 4.28Å; L642-L646 HydrophobicContact CD1-CD1 4.3Å; L642-L646 HydrophobicContact CD1-CG 4.29Å; L642-L646 HydrophobicContact CG-CD1 4.1Å; L642-L646 WeakPolarHBondContact O-CG 3.34Å; L642-L646 PolarHBondContact O-N 3.41Å; L643-L646 HydrophobicContact CD2-CD1 4.49Å; L643-L646 PolarHBondContact O-N 3.49Å; Y644-L646 PolarHBondContact O-N 3.48Å; L646-T649 PolarHBondContact O-N 3.13Å; L646-T649 PolarHBondContact O-OG1 2.8Å; L646-G650 PolarHBondContact O-N 3.44Å; L646-A651 HydrophobicContact CB-CB 4.36Å; L646-A651 HydrophobicContact CD2-CB 4.1Å; L646-A651 CarbonylContact O-C 3.58Å; L646-A651 VanDerWaalsContact O-CA 3.31Å; L646-A651 WeakPolarHBondContact O-CA 3.42Å; L646-A651 WeakPolarHBondContact O-CB 3.38Å; L646-A651 PolarHBondContact O-N 3.32Å |
| 647 | A | 97.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.7 | -51.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | E603 V605 L643 Y644 T649 G650 | E603-A647 HydrophobicContact CB-CB 4.11Å; E603-A647 HydrophobicContact CG-CB 3.77Å; V605-A647 HydrophobicContact CG2-CB 3.75Å; L643-A647 WeakPolarHBondContact O-CB 3.49Å; L643-A647 PolarHBondContact O-N 3.47Å; Y644-A647 PolarHBondContact O-N 3.32Å; A647-T649 PolarHBondContact O-N 3.37Å; A647-G650 PolarHBondContact O-N 3.12Å; A647-G650 VanDerWaalsContact O-N 3.07Å |
| 648 | M | 95.7 | Very high | 97 | Very high | 11 Ų | 11 | 24 Ų | 24 | 5% | 0.054 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.2 | -34.5 | 178.8 | -75.1 | -169.6 | 69.4 | 0 | 0 | 113.5 | M136 L296 S592 M593 L596 F597 Y644 G650 | M136-M648 HydrophobicContact CE-CB 4.03Å; M136-M648 HydrophobicContact CE-CE 3.94Å; M136-M648 HydrophobicContact CE-CG 4.36Å; M136-M648 HydrophobicContact CE-SD 3.47Å; M136-M648 WeakPolarHBondContact CE-SD 3.2Å; L296-M648 HydrophobicContact CD1-CE 4.32Å; S592-M648 WeakPolarHBondContact OG-CG 3.48Å; M593-M648 HydrophobicContact CE-CE 3.51Å; M593-M648 HydrophobicContact CG-CE 4.27Å; L596-M648 HydrophobicContact CD1-CB 4.35Å; L596-M648 HydrophobicContact CD1-CE 4.19Å; F597-M648 WeakPolarHBondContact CE2-O 3.46Å; Y644-M648 HydrophobicContact CD1-CG 3.92Å; Y644-M648 HydrophobicContact CD1-SD 3.69Å; Y644-M648 HydrophobicContact CE1-CG 3.81Å; Y644-M648 HydrophobicContact CE1-SD 3.42Å; Y644-M648 WeakPolarHBondContact CE1-SD 3.48Å; Y644-M648 WeakPolarHBondContact O-CG 3.15Å; Y644-M648 PolarHBondContact O-N 3.48Å; M648-G650 VanDerWaalsContact C-N 3.27Å; M648-G650 PolarHBondContact O-N 3.38Å |
| 649 | T | 96.3 | Very high | 97 | Very high | 16 Ų | 16 | 21.3 Ų | 21.3 | 10% | 0.098 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 14 | -178.2 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | H133 M136 F137 F597 R645 L646 A647 A651 | H133-T649 HydrophobicContact CB-CG2 3.57Å; M136-T649 HydrophobicContact CB-CG2 4.41Å; M136-T649 HydrophobicContact CG-CG2 4.17Å; F137-T649 HydrophobicContact CE2-CG2 4.37Å; F597-T649 WeakPolarHBondContact CZ-O 3.31Å; R645-T649 WeakPolarHBondContact O-CB 3.49Å; R645-T649 VanDerWaalsContact O-CG2 3.29Å; R645-T649 WeakPolarHBondContact O-CG2 3.09Å; R645-T649 PolarHBondContact O-N 2.82Å; R645-T649 VanDerWaalsContact O-N 3.15Å; R645-T649 PolarHBondContact O-OG1 2.94Å; L646-T649 PolarHBondContact O-N 3.13Å; L646-T649 PolarHBondContact O-OG1 2.8Å; A647-T649 PolarHBondContact O-N 3.37Å; T649-A651 VanDerWaalsContact C-N 3.3Å; T649-A651 PolarHBondContact O-N 2.98Å |
| 650 | G | 96.2 | Very high | 96.9 | Very high | 6 Ų | 6 | 19.4 Ų | 19.4 | 6% | 0.062 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 20 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P177 L646 A647 M648 | P177-G650 WeakPolarHBondContact CG-O 3.48Å; L646-G650 PolarHBondContact O-N 3.44Å; A647-G650 PolarHBondContact O-N 3.12Å; A647-G650 VanDerWaalsContact O-N 3.07Å; M648-G650 VanDerWaalsContact C-N 3.27Å; M648-G650 PolarHBondContact O-N 3.38Å |
| 651 | A | 96.6 | Very high | 96.8 | Very high | 24 Ų | 24 | 22.7 Ų | 22.7 | 20% | 0.198 | 11% | 0.111 | C | C | . | . | trans | -109.5 | 35.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R185 L646 T649 | R185-A651 PolarHBondContact NH1-O 2.7Å; R185-A651 PolarHBondContact NH2-O 3.3Å; R185-A651 VanDerWaalsContact NH2-O 3.15Å; L646-A651 HydrophobicContact CB-CB 4.36Å; L646-A651 HydrophobicContact CD2-CB 4.1Å; L646-A651 CarbonylContact O-C 3.58Å; L646-A651 VanDerWaalsContact O-CA 3.31Å; L646-A651 WeakPolarHBondContact O-CA 3.42Å; L646-A651 WeakPolarHBondContact O-CB 3.38Å; L646-A651 PolarHBondContact O-N 3.32Å; T649-A651 VanDerWaalsContact C-N 3.3Å; T649-A651 PolarHBondContact O-N 2.98Å | ||
| 652 | G | 95.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 5% | 0.052 | 10% | 0.101 | C | C | . | . | trans | -76.2 | -171.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R185 E603 | R185-G652 PolarHBondContact NH2-O 3Å; E603-G652 WeakPolarHBondContact OE2-CA 3.1Å | ||
| 653 | I | 97.4 | Very high | 96.3 | Very high | 14 Ų | 14 | 17.9 Ų | 17.9 | 7% | 0.072 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -107.4 | -53.9 | -178.8 | -61.1 | 162.2 | 0 | 0 | 0 | 109.8 | T182 R185 Y186 H656 L657 | T182-I653 HydrophobicContact CG2-CG2 4.26Å; R185-I653 HydrophobicContact CB-CD1 3.83Å; R185-I653 HydrophobicContact CB-CG1 3.84Å; Y186-I653 HydrophobicContact CD2-CG2 4.48Å; I653-H656 PolarHBondContact O-N 2.73Å; I653-L657 HydrophobicContact CG2-CD1 3.71Å; I653-L657 HydrophobicContact CG2-CG 4.26Å; I653-L657 PolarHBondContact O-N 2.98Å; I653-L657 VanDerWaalsContact O-N 3.09Å |
| 654 | D | 97.8 | Very high | 96 | Very high | 11 Ų | 11 | 16.5 Ų | 16.5 | 6% | 0.059 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -72.8 | -45.7 | -157.8 | -66.9 | -90.2 | 0 | 0 | 0 | 113.8 | E603 T604 R606 H656 L657 F658 W682 | E603-D654 PolarHBondContact OE1-N 3.39Å; T604-D654 WeakPolarHBondContact CB-OD2 3.31Å; T604-D654 VanDerWaalsContact OG1-CB 3.27Å; T604-D654 WeakPolarHBondContact OG1-CB 3.37Å; R606-D654 IonicContact CZ-OD1 3.38Å; R606-D654 IonicContact CZ-OD2 2.72Å; R606-D654 IonicContact NE-OD1 3.1Å; R606-D654 PolarHBondContact NE-OD1 2.92Å; R606-D654 IonicContact NE-OD2 3.17Å; R606-D654 PolarHBondContact NE-OD2 3.45Å; R606-D654 IonicContact NH2-OD1 3.2Å; R606-D654 PolarHBondContact NH2-OD1 3.34Å; R606-D654 IonicContact NH2-OD2 2.64Å; D654-H656 PolarHBondContact O-N 3.02Å; D654-L657 PolarHBondContact O-N 3.35Å; D654-F658 VanDerWaalsContact O-CB 3.3Å; D654-F658 WeakPolarHBondContact O-CB 3.36Å; D654-F658 PolarHBondContact O-N 3.33Å; D654-W682 WeakPolarHBondContact OD1-CH2 3.45Å; D654-W682 VanDerWaalsContact OD1-CZ2 3.24Å; D654-W682 WeakPolarHBondContact OD1-CZ2 3.48Å |
| 655 | R | 97.4 | Very high | 95.7 | Very high | 7 Ų | 7 | 19.7 Ų | 19.7 | 3% | 0.026 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.8 | -32.8 | 177 | -61.8 | -59.1 | 176.7 | -80.2 | -1.6 | 111.9 | V232 W236 Y589 T602 E603 T604 C659 | V232-R655 HydrophobicContact CG1-CB 4.04Å; V232-R655 HydrophobicContact CG1-CG 4.16Å; V232-R655 HydrophobicContact CG2-CB 4.25Å; W236-R655 VanDerWaalsContact CE3-CD 3.44Å; W236-R655 VanDerWaalsContact CH2-CZ 3.4Å; Y589-R655 PolarHBondContact OH-NH2 3.23Å; Y589-R655 VanDerWaalsContact OH-NH2 3.07Å; T602-R655 WeakPolarHBondContact O-CG 3.3Å; T602-R655 PolarHBondContact O-NE 2.93Å; T602-R655 PolarHBondContact OG1-NH2 3.3Å; E603-R655 WeakPolarHBondContact OE1-CG 3.45Å; E603-R655 PolarHBondContact OE1-N 3.44Å; E603-R655 IonicContact OE1-NH1 3.69Å; T604-R655 PolarHBondContact OG1-NH1 2.84Å; R655-C659 PolarHBondContact O-N 2.93Å; R655-C659 PolarHBondContact O-SG 2.82Å; R655-C659 VanDerWaalsContact O-SG 3.35Å |
| 656 | H | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.5 | -49.1 | 177.2 | -173.3 | -156.3 | 0 | 0 | 0 | 111.8 | P177 T182 Q218 L221 I653 D654 F658 C659 L660 | P177-H656 HydrophobicContact CG-CB 4.24Å; P177-H656 PolarHBondContact O-CE1 3.27Å; T182-H656 HydrophobicContact CG2-CB 4.23Å; T182-H656 PolarHBondContact OG1-ND1 3.49Å; Q218-H656 PolarHBondContact OE1-CE1 3.23Å; Q218-H656 PolarHBondContact OE1-NE2 3.18Å; L221-H656 VanDerWaalsContact CD2-CD2 3.48Å; L221-H656 WeakPolarHBondContact CD2-CD2 3.48Å; I653-H656 PolarHBondContact O-N 2.73Å; D654-H656 PolarHBondContact O-N 3.02Å; H656-F658 VanDerWaalsContact C-N 3.33Å; H656-F658 PolarHBondContact O-N 2.91Å; H656-C659 PolarHBondContact O-N 3.1Å; H656-L660 WeakPolarHBondContact O-CG 3.22Å; H656-L660 PolarHBondContact O-N 3.28Å |
| 657 | L | 98.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 176.8 | -65.5 | -176.8 | 0 | 0 | 0 | 112.1 | T182 Y186 I653 D654 L660 Y661 F673 L674 V677 | T182-L657 HydrophobicContact CG2-CD2 3.73Å; T182-L657 HydrophobicContact CG2-CG 3.81Å; Y186-L657 HydrophobicContact CD2-CD1 4.3Å; Y186-L657 HydrophobicContact CG-CD1 4.42Å; I653-L657 HydrophobicContact CG2-CD1 3.71Å; I653-L657 HydrophobicContact CG2-CG 4.26Å; I653-L657 PolarHBondContact O-N 2.98Å; I653-L657 VanDerWaalsContact O-N 3.09Å; D654-L657 PolarHBondContact O-N 3.35Å; L657-L660 HydrophobicContact CD2-CD1 4.28Å; L657-L660 PolarHBondContact O-N 2.83Å; L657-Y661 WeakPolarHBondContact O-CB 3.38Å; L657-Y661 PolarHBondContact O-N 3.48Å; L657-F673 HydrophobicContact CD2-CE1 4Å; L657-L674 HydrophobicContact CB-CD2 4.48Å; L657-L674 HydrophobicContact CD2-CD2 4.17Å; L657-V677 HydrophobicContact CD1-CB 4.47Å; L657-V677 HydrophobicContact CD1-CG1 3.52Å |
| 658 | F | 97 | Very high | 94.6 | Very high | 19 Ų | 19 | 28 Ų | 28 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.4 | -51.3 | 172.1 | 163.4 | -101.6 | 0 | 0 | 0 | 111.8 | W235 W236 Y239 I240 D654 H656 L660 Y661 V662 | W235-F658 HydrophobicContact CB-CE1 4.04Å; W235-F658 HydrophobicContact CB-CZ 4.3Å; W236-F658 HydrophobicContact CE3-CD1 4.09Å; W236-F658 HydrophobicContact CE3-CE1 4.09Å; W236-F658 HydrophobicContact CE3-CG 4.46Å; W236-F658 HydrophobicContact CE3-CZ 4.46Å; W236-F658 HydrophobicContact CZ3-CG 4.48Å; Y239-F658 HydrophobicContact CD2-CZ 4.21Å; Y239-F658 HydrophobicContact CG-CZ 4.4Å; I240-F658 HydrophobicContact CD1-CD2 4.17Å; I240-F658 HydrophobicContact CD1-CE2 3.77Å; I240-F658 HydrophobicContact CD1-CZ 4.34Å; I240-F658 HydrophobicContact CG1-CE2 4.3Å; I240-F658 HydrophobicContact CG1-CZ 4.38Å; D654-F658 VanDerWaalsContact O-CB 3.3Å; D654-F658 WeakPolarHBondContact O-CB 3.36Å; D654-F658 PolarHBondContact O-N 3.33Å; H656-F658 VanDerWaalsContact C-N 3.33Å; H656-F658 PolarHBondContact O-N 2.91Å; F658-L660 VanDerWaalsContact C-N 3.34Å; F658-L660 PolarHBondContact O-N 3.24Å; F658-Y661 WeakPolarHBondContact O-CB 3.49Å; F658-Y661 PolarHBondContact O-N 2.85Å; F658-Y661 VanDerWaalsContact O-N 3.12Å; F658-V662 HydrophobicContact CD2-CG2 4.31Å; F658-V662 HydrophobicContact CE1-CG2 4.18Å; F658-V662 HydrophobicContact CE2-CG2 3.79Å; F658-V662 HydrophobicContact CZ-CG2 3.71Å; F658-V662 WeakPolarHBondContact O-CG2 3.24Å; F658-V662 PolarHBondContact O-N 2.9Å |
| 659 | C | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.7 | -35.8 | 179.9 | -70.9 | 0 | 0 | 0 | 0 | 112.7 | L221 Y231 W235 R655 H656 Y661 V662 V663 | L221-C659 HydrophobicContact CD1-CB 3.7Å; L221-C659 HydrophobicContact CD2-CB 3.94Å; Y231-C659 HydrophobicContact CD2-CB 4.43Å; Y231-C659 HydrophobicContact CE2-CB 4.31Å; W235-C659 HydrophobicContact CE3-CB 4.14Å; W235-C659 HydrophobicContact CZ3-CB 4.14Å; R655-C659 PolarHBondContact O-N 2.93Å; R655-C659 PolarHBondContact O-SG 2.82Å; R655-C659 VanDerWaalsContact O-SG 3.35Å; H656-C659 PolarHBondContact O-N 3.1Å; C659-Y661 VanDerWaalsContact C-N 3.3Å; C659-Y661 PolarHBondContact O-N 3.31Å; C659-V662 PolarHBondContact O-N 3.46Å; C659-V663 WeakPolarHBondContact O-CG2 3.4Å; C659-V663 PolarHBondContact O-N 3.49Å |
| 660 | L | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | 172.8 | -67.7 | 170.1 | 0 | 0 | 0 | 111 | F209 L217 L221 H656 L657 F658 V663 S664 L674 | F209-L660 HydrophobicContact CE1-CD1 4.28Å; F209-L660 HydrophobicContact CZ-CD1 4.13Å; L217-L660 HydrophobicContact CB-CD2 3.65Å; L217-L660 HydrophobicContact CD1-CB 4.38Å; L221-L660 HydrophobicContact CD2-CD2 4.06Å; L221-L660 HydrophobicContact CD2-CG 4.3Å; H656-L660 WeakPolarHBondContact O-CG 3.22Å; H656-L660 PolarHBondContact O-N 3.28Å; L657-L660 HydrophobicContact CD2-CD1 4.28Å; L657-L660 PolarHBondContact O-N 2.83Å; F658-L660 VanDerWaalsContact C-N 3.34Å; F658-L660 PolarHBondContact O-N 3.24Å; L660-V663 PolarHBondContact O-N 3.12Å; L660-S664 PolarHBondContact O-N 3.39Å; L660-L674 HydrophobicContact CB-CD1 4.3Å; L660-L674 HydrophobicContact CB-CD2 4.37Å |
| 661 | Y | 95.3 | Very high | 94.1 | Very high | 74 Ų | 74 | 36.5 Ų | 36.5 | 29% | 0.29 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.7 | -44.5 | 174.2 | 176.9 | -102.9 | 0 | 0 | 0 | 112.6 | L657 F658 C659 V663 S664 K665 L674 L678 | L657-Y661 WeakPolarHBondContact O-CB 3.38Å; L657-Y661 PolarHBondContact O-N 3.48Å; F658-Y661 WeakPolarHBondContact O-CB 3.49Å; F658-Y661 PolarHBondContact O-N 2.85Å; F658-Y661 VanDerWaalsContact O-N 3.12Å; C659-Y661 VanDerWaalsContact C-N 3.3Å; C659-Y661 PolarHBondContact O-N 3.31Å; Y661-V663 VanDerWaalsContact C-N 3.31Å; Y661-V663 PolarHBondContact O-N 3.44Å; Y661-S664 WeakPolarHBondContact O-CA 3.35Å; Y661-S664 WeakPolarHBondContact O-CB 3.08Å; Y661-S664 PolarHBondContact O-N 2.86Å; Y661-S664 PolarHBondContact O-OG 3.33Å; Y661-K665 HydrophobicContact CE1-CG 4.18Å; Y661-K665 HydrophobicContact CE2-CD 4.46Å; Y661-K665 PolarHBondContact O-N 3.36Å; Y661-K665 WeakPolarHBondContact OH-CE 3.32Å; Y661-L674 HydrophobicContact CD2-CB 4Å; Y661-L678 HydrophobicContact CD1-CD1 3.72Å; Y661-L678 HydrophobicContact CD2-CD1 3.8Å; Y661-L678 HydrophobicContact CE1-CD1 4.44Å; Y661-L678 HydrophobicContact CG-CD1 3.33Å |
| 662 | V | 91.5 | Very high | 94.1 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.8 | -46 | 174.2 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | W235 Y239 F658 C659 S664 K665 Y666 | W235-V662 HydrophobicContact CD2-CB 4.4Å; W235-V662 HydrophobicContact CD2-CG1 3.68Å; W235-V662 HydrophobicContact CE3-CB 4.02Å; W235-V662 HydrophobicContact CE3-CG1 3.75Å; W235-V662 HydrophobicContact CG-CG1 4.23Å; W235-V662 HydrophobicContact CH2-CG1 4.09Å; W235-V662 HydrophobicContact CZ2-CG1 4.04Å; W235-V662 HydrophobicContact CZ3-CB 4.18Å; W235-V662 HydrophobicContact CZ3-CG1 3.95Å; Y239-V662 HydrophobicContact CD2-CG1 4.34Å; Y239-V662 HydrophobicContact CD2-CG2 4.02Å; Y239-V662 HydrophobicContact CE2-CG1 3.75Å; Y239-V662 HydrophobicContact CE2-CG2 4.25Å; F658-V662 HydrophobicContact CD2-CG2 4.31Å; F658-V662 HydrophobicContact CE1-CG2 4.18Å; F658-V662 HydrophobicContact CE2-CG2 3.79Å; F658-V662 HydrophobicContact CZ-CG2 3.71Å; F658-V662 WeakPolarHBondContact O-CG2 3.24Å; F658-V662 PolarHBondContact O-N 2.9Å; C659-V662 PolarHBondContact O-N 3.46Å; V662-S664 VanDerWaalsContact C-N 3.32Å; V662-S664 PolarHBondContact O-N 3.4Å; V662-K665 PolarHBondContact O-N 2.86Å; V662-Y666 HydrophobicContact CG1-CD2 3.83Å; V662-Y666 HydrophobicContact CG1-CE2 3.49Å; V662-Y666 VanDerWaalsContact CG1-CE2 3.49Å; V662-Y666 VanDerWaalsContact O-CD2 3.27Å; V662-Y666 WeakPolarHBondContact O-CD2 3.43Å; V662-Y666 PolarHBondContact O-N 3.41Å; V662-Y666 VanDerWaalsContact O-N 3.09Å |
| 663 | V | 91.4 | Very high | 94.1 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 174.6 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | L217 Y220 W235 C659 L660 Y661 K665 Y666 L667 | L217-V663 HydrophobicContact CB-CG1 4.31Å; L217-V663 HydrophobicContact CD2-CB 4.3Å; L217-V663 HydrophobicContact CD2-CG1 3.72Å; Y220-V663 HydrophobicContact CD2-CG1 4.24Å; Y220-V663 HydrophobicContact CG-CG1 4.25Å; W235-V663 HydrophobicContact CH2-CG2 3.71Å; W235-V663 HydrophobicContact CZ3-CG2 3.93Å; C659-V663 WeakPolarHBondContact O-CG2 3.4Å; C659-V663 PolarHBondContact O-N 3.49Å; L660-V663 PolarHBondContact O-N 3.12Å; Y661-V663 VanDerWaalsContact C-N 3.31Å; Y661-V663 PolarHBondContact O-N 3.44Å; V663-K665 VanDerWaalsContact C-N 3.25Å; V663-K665 PolarHBondContact O-N 2.86Å; V663-Y666 PolarHBondContact O-N 3.41Å; V663-L667 HydrophobicContact CG1-CD1 4.03Å; V663-L667 HydrophobicContact CG1-CG 4.32Å; V663-L667 WeakPolarHBondContact O-CG 3.29Å; V663-L667 PolarHBondContact O-N 2.77Å |
| 664 | S | 92.2 | Very high | 94 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.6 | -37.4 | 178 | 79 | 0 | 0 | 0 | 0 | 112.2 | L660 Y661 V662 L667 A668 V669 | L660-S664 PolarHBondContact O-N 3.39Å; Y661-S664 WeakPolarHBondContact O-CA 3.35Å; Y661-S664 WeakPolarHBondContact O-CB 3.08Å; Y661-S664 PolarHBondContact O-N 2.86Å; Y661-S664 PolarHBondContact O-OG 3.33Å; V662-S664 VanDerWaalsContact C-N 3.32Å; V662-S664 PolarHBondContact O-N 3.4Å; S664-L667 CarbonylContact O-C 3.59Å; S664-L667 PolarHBondContact O-N 2.89Å; S664-A668 PolarHBondContact O-N 2.84Å; S664-A668 VanDerWaalsContact O-N 3.12Å; S664-V669 WeakPolarHBondContact O-CG2 3.25Å; S664-V669 PolarHBondContact O-N 3.37Å |
| 665 | K | 89.7 | Confident | 93.8 | Very high | 110 Ų | 110 | 45 Ų | 45 | 48% | 0.478 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.4 | -41.9 | 175.6 | -64.4 | -55 | -177.6 | -178.7 | 0 | 112.6 | Y661 V662 V663 L667 A668 | Y661-K665 HydrophobicContact CE1-CG 4.18Å; Y661-K665 HydrophobicContact CE2-CD 4.46Å; Y661-K665 PolarHBondContact O-N 3.36Å; Y661-K665 WeakPolarHBondContact OH-CE 3.32Å; V662-K665 PolarHBondContact O-N 2.86Å; V663-K665 VanDerWaalsContact C-N 3.25Å; V663-K665 PolarHBondContact O-N 2.86Å; K665-L667 VanDerWaalsContact C-N 3.26Å; K665-L667 PolarHBondContact O-N 2.95Å; K665-A668 PolarHBondContact O-N 3.26Å |
| 666 | Y | 85.7 | Confident | 93.6 | Very high | 137 Ų | 137 | 46.7 Ų | 46.7 | 54% | 0.537 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.8 | -33.2 | 173.8 | -78.3 | -62.9 | 0 | 0 | 0 | 113.3 | W235 Y239 V662 V663 A668 | W235-Y666 HydrophobicContact CZ2-CD2 4.33Å; W235-Y666 AromaticContact CZ2-CE2 3.84Å; W235-Y666 HydrophobicContact CZ2-CE2 3.84Å; Y239-Y666 PolarHBondContact OH-OH 3.17Å; V662-Y666 HydrophobicContact CG1-CD2 3.83Å; V662-Y666 HydrophobicContact CG1-CE2 3.49Å; V662-Y666 VanDerWaalsContact CG1-CE2 3.49Å; V662-Y666 VanDerWaalsContact O-CD2 3.27Å; V662-Y666 WeakPolarHBondContact O-CD2 3.43Å; V662-Y666 PolarHBondContact O-N 3.41Å; V662-Y666 VanDerWaalsContact O-N 3.09Å; V663-Y666 PolarHBondContact O-N 3.41Å; Y666-A668 VanDerWaalsContact C-N 3.27Å |
| 667 | L | 86.8 | Confident | 93.3 | Very high | 45 Ų | 45 | 47 Ų | 47 | 24% | 0.236 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -0.8 | 176.2 | -63.5 | -178.8 | 0 | 0 | 0 | 113.3 | L217 Y220 V663 S664 K665 V669 | L217-L667 HydrophobicContact CD2-CD1 3.76Å; Y220-L667 HydrophobicContact CD2-CD1 3.84Å; Y220-L667 HydrophobicContact CE1-CD2 4.47Å; Y220-L667 HydrophobicContact CE2-CD1 3.66Å; Y220-L667 HydrophobicContact CE2-CD2 4.03Å; Y220-L667 HydrophobicContact CE2-CG 4.45Å; V663-L667 HydrophobicContact CG1-CD1 4.03Å; V663-L667 HydrophobicContact CG1-CG 4.32Å; V663-L667 WeakPolarHBondContact O-CG 3.29Å; V663-L667 PolarHBondContact O-N 2.77Å; S664-L667 CarbonylContact O-C 3.59Å; S664-L667 PolarHBondContact O-N 2.89Å; K665-L667 VanDerWaalsContact C-N 3.26Å; K665-L667 PolarHBondContact O-N 2.95Å; L667-V669 HydrophobicContact CB-CG1 4.26Å; L667-V669 HydrophobicContact CB-CG2 3.97Å; L667-V669 PolarHBondContact O-N 2.86Å |
| 668 | A | 93.5 | Very high | 92.9 | Very high | 93 Ų | 93 | 50.1 Ų | 50.1 | 77% | 0.769 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 38.6 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | S664 K665 Y666 | S664-A668 PolarHBondContact O-N 2.84Å; S664-A668 VanDerWaalsContact O-N 3.12Å; K665-A668 PolarHBondContact O-N 3.26Å; Y666-A668 VanDerWaalsContact C-N 3.27Å |
| 669 | V | 91.8 | Very high | 92.4 | Very high | 37 Ų | 37 | 53 Ų | 53 | 22% | 0.224 | 28% | 0.276 | C | S | . | . | trans | -110.4 | 137.5 | 176.8 | -63.3 | 0 | 0 | 0 | 0 | 110.3 | L213 L217 S664 L667 | L213-V669 HydrophobicContact CD1-CG2 3.97Å; L213-V669 HydrophobicContact CD2-CG2 4.32Å; L217-V669 HydrophobicContact CD2-CG2 4.31Å; S664-V669 WeakPolarHBondContact O-CG2 3.25Å; S664-V669 PolarHBondContact O-N 3.37Å; L667-V669 HydrophobicContact CB-CG1 4.26Å; L667-V669 HydrophobicContact CB-CG2 3.97Å; L667-V669 PolarHBondContact O-N 2.86Å | ||
| 670 | E | 92.3 | Very high | 91.8 | Very high | 163 Ų | 163 | 55 Ų | 55 | 76% | 0.762 | 29% | 0.285 | S | S | * | . | trans | -91.4 | 144.5 | 175.7 | -60.8 | -158 | 149.8 | 0 | 0 | 111.4 | ||||
| 671 | S | 94.2 | Very high | 91.6 | Very high | 11 Ų | 11 | 57.2 Ų | 57.2 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | trans | -132.9 | 111.9 | 174 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | F209 F673 L674 K675 | F209-S671 WeakPolarHBondContact CD2-OG 3.38Å; S671-F673 PolarHBondContact O-N 3.44Å; S671-L674 PolarHBondContact O-N 2.79Å; S671-L674 PolarHBondContact OG-N 3.31Å; S671-K675 WeakPolarHBondContact O-CB 3.31Å; S671-K675 PolarHBondContact O-N 3.22Å | ||
| 672 | P | 95.6 | Very high | 91.6 | Very high | 81 Ų | 81 | 56.4 Ų | 56.4 | 53% | 0.526 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -56.5 | -41.1 | 174.9 | -26.1 | 35 | 0 | 0 | 0 | 111.8 | L205 K675 E676 | L205-P672 HydrophobicContact CD1-CB 4.43Å; L205-P672 HydrophobicContact CD2-CB 4.06Å; P672-K675 PolarHBondContact O-N 2.89Å; P672-E676 WeakPolarHBondContact O-CB 3.48Å; P672-E676 PolarHBondContact O-N 3.2Å |
| 673 | F | 97.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 1% | 0.013 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.1 | -57.2 | 175.8 | 176.4 | -108 | 0 | 0 | 0 | 112.5 | V183 Y186 M202 L205 A206 F209 L657 S671 K675 E676 V677 | V183-F673 HydrophobicContact CG2-CE1 4.21Å; V183-F673 HydrophobicContact CG2-CZ 4.17Å; Y186-F673 AromaticContact CD1-CE2 3.68Å; Y186-F673 HydrophobicContact CD1-CE2 3.68Å; Y186-F673 AromaticContact CD1-CZ 3.76Å; Y186-F673 HydrophobicContact CD1-CZ 3.76Å; Y186-F673 AromaticContact CE1-CE2 3.55Å; Y186-F673 HydrophobicContact CE1-CE2 3.55Å; Y186-F673 HydrophobicContact CE1-CZ 4.04Å; Y186-F673 HydrophobicContact CG-CZ 4.35Å; M202-F673 HydrophobicContact SD-CD2 3.82Å; M202-F673 HydrophobicContact SD-CE2 3.93Å; L205-F673 HydrophobicContact CB-CB 4.24Å; L205-F673 HydrophobicContact CB-CD2 4.4Å; A206-F673 HydrophobicContact CB-CD2 3.84Å; A206-F673 HydrophobicContact CB-CE2 3.53Å; A206-F673 HydrophobicContact CB-CZ 4.26Å; F209-F673 HydrophobicContact CB-CB 3.84Å; F209-F673 HydrophobicContact CB-CD1 3.81Å; F209-F673 HydrophobicContact CB-CG 3.93Å; F209-F673 AromaticContact CD1-CD1 3.36Å; F209-F673 HydrophobicContact CD1-CD1 3.36Å; F209-F673 AromaticContact CD1-CE1 3.6Å; F209-F673 HydrophobicContact CD1-CE1 3.6Å; F209-F673 HydrophobicContact CD1-CG 4.32Å; F209-F673 HydrophobicContact CD2-CD1 4.13Å; F209-F673 AromaticContact CE1-CD1 3.92Å; F209-F673 HydrophobicContact CE1-CD1 3.92Å; F209-F673 AromaticContact CE1-CE1 3.96Å; F209-F673 HydrophobicContact CE1-CE1 3.96Å; F209-F673 HydrophobicContact CG-CB 4.21Å; F209-F673 AromaticContact CG-CD1 3.48Å; F209-F673 HydrophobicContact CG-CD1 3.48Å; F209-F673 VanDerWaalsContact CG-CD1 3.48Å; F209-F673 HydrophobicContact CG-CE1 4.2Å; F209-F673 HydrophobicContact CG-CG 4.1Å; L657-F673 HydrophobicContact CD2-CE1 4Å; S671-F673 PolarHBondContact O-N 3.44Å; F673-K675 VanDerWaalsContact C-N 3.3Å; F673-K675 PolarHBondContact O-N 3.36Å; F673-E676 PolarHBondContact O-N 2.95Å; F673-V677 HydrophobicContact CD1-CG2 4.37Å; F673-V677 HydrophobicContact CD2-CG2 3.76Å; F673-V677 HydrophobicContact CE1-CG2 4.08Å; F673-V677 HydrophobicContact CE2-CG2 3.42Å; F673-V677 VanDerWaalsContact CE2-CG2 3.42Å; F673-V677 HydrophobicContact CG-CG2 4.23Å; F673-V677 HydrophobicContact CZ-CG2 3.6Å; F673-V677 WeakPolarHBondContact O-CG2 3.46Å; F673-V677 PolarHBondContact O-N 2.79Å |
| 674 | L | 95.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.7 | -34.2 | -177.1 | -64 | 174.1 | 0 | 0 | 0 | 112.4 | F209 L217 L657 L660 Y661 S671 E676 L678 | F209-L674 HydrophobicContact CD2-CG 4.38Å; F209-L674 HydrophobicContact CE1-CD2 4.27Å; F209-L674 HydrophobicContact CE2-CD1 3.63Å; F209-L674 HydrophobicContact CE2-CD2 4.2Å; F209-L674 HydrophobicContact CE2-CG 3.77Å; F209-L674 HydrophobicContact CZ-CD1 3.87Å; F209-L674 HydrophobicContact CZ-CD2 3.82Å; F209-L674 HydrophobicContact CZ-CG 3.92Å; L217-L674 HydrophobicContact CD1-CD1 3.79Å; L657-L674 HydrophobicContact CB-CD2 4.48Å; L657-L674 HydrophobicContact CD2-CD2 4.17Å; L660-L674 HydrophobicContact CB-CD1 4.3Å; L660-L674 HydrophobicContact CB-CD2 4.37Å; Y661-L674 HydrophobicContact CD2-CB 4Å; S671-L674 PolarHBondContact O-N 2.79Å; S671-L674 PolarHBondContact OG-N 3.31Å; L674-E676 VanDerWaalsContact C-N 3.33Å; L674-L678 WeakPolarHBondContact O-CB 3.45Å; L674-L678 WeakPolarHBondContact O-CG 3.14Å; L674-L678 PolarHBondContact O-N 2.91Å |
| 675 | K | 92.6 | Very high | 92.4 | Very high | 147 Ų | 147 | 59.6 Ų | 59.6 | 64% | 0.639 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -61.2 | -44.7 | 175.3 | -177.4 | 178.7 | 179.4 | 179.1 | 0 | 110.9 | S671 P672 F673 S679 | S671-K675 WeakPolarHBondContact O-CB 3.31Å; S671-K675 PolarHBondContact O-N 3.22Å; P672-K675 PolarHBondContact O-N 2.89Å; F673-K675 VanDerWaalsContact C-N 3.3Å; F673-K675 PolarHBondContact O-N 3.36Å; K675-S679 WeakPolarHBondContact O-CB 3.16Å; K675-S679 PolarHBondContact O-N 2.94Å; K675-S679 PolarHBondContact O-OG 2.91Å |
| 676 | E | 93.4 | Very high | 92.9 | Very high | 43 Ų | 43 | 54.4 Ų | 54.4 | 20% | 0.201 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -73.4 | -48.2 | -177 | -165.9 | 172.5 | 151.4 | 0 | 0 | 112 | R201 M202 P672 F673 L674 L678 S679 | R201-E676 IonicContact CZ-OE1 2.88Å; R201-E676 IonicContact CZ-OE2 3Å; R201-E676 IonicContact NH1-OE1 2.84Å; R201-E676 IonicContact NH1-OE2 3.69Å; R201-E676 PolarHBondContact NH1-OE2 3.35Å; R201-E676 IonicContact NH2-OE1 3.2Å; R201-E676 PolarHBondContact NH2-OE1 2.67Å; R201-E676 IonicContact NH2-OE2 3.24Å; R201-E676 PolarHBondContact NH2-OE2 2.88Å; M202-E676 HydrophobicContact CE-CB 4.12Å; M202-E676 HydrophobicContact CE-CG 3.7Å; M202-E676 WeakPolarHBondContact CE-OE1 3.29Å; P672-E676 WeakPolarHBondContact O-CB 3.48Å; P672-E676 PolarHBondContact O-N 3.2Å; F673-E676 PolarHBondContact O-N 2.95Å; L674-E676 VanDerWaalsContact C-N 3.33Å; E676-L678 PolarHBondContact O-N 3.42Å; E676-L678 VanDerWaalsContact O-N 3.16Å; E676-S679 PolarHBondContact O-N 3.27Å; E676-S679 PolarHBondContact O-OG 2.93Å |
| 677 | V | 91.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 4% | 0.036 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.2 | -33.1 | -177.8 | 177.7 | 0 | 0 | 0 | 0 | 112.8 | Y186 L657 F673 | Y186-V677 HydrophobicContact CD1-CG2 4.35Å; Y186-V677 HydrophobicContact CD2-CG1 3.69Å; Y186-V677 HydrophobicContact CD2-CG2 4.37Å; Y186-V677 HydrophobicContact CE1-CG2 3.7Å; Y186-V677 HydrophobicContact CE2-CB 4Å; Y186-V677 HydrophobicContact CE2-CG1 3.3Å; Y186-V677 HydrophobicContact CE2-CG2 3.72Å; Y186-V677 WeakPolarHBondContact OH-CG2 3.44Å; L657-V677 HydrophobicContact CD1-CB 4.47Å; L657-V677 HydrophobicContact CD1-CG1 3.52Å; F673-V677 HydrophobicContact CD1-CG2 4.37Å; F673-V677 HydrophobicContact CD2-CG2 3.76Å; F673-V677 HydrophobicContact CE1-CG2 4.08Å; F673-V677 HydrophobicContact CE2-CG2 3.42Å; F673-V677 VanDerWaalsContact CE2-CG2 3.42Å; F673-V677 HydrophobicContact CG-CG2 4.23Å; F673-V677 HydrophobicContact CZ-CG2 3.6Å; F673-V677 WeakPolarHBondContact O-CG2 3.46Å; F673-V677 PolarHBondContact O-N 2.79Å |
| 678 | L | 89.1 | Confident | 93.7 | Very high | 67 Ų | 67 | 49 Ų | 49 | 35% | 0.351 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -2.3 | -179.3 | -63.9 | 173 | 0 | 0 | 0 | 113.5 | Y661 L674 E676 | Y661-L678 HydrophobicContact CD1-CD1 3.72Å; Y661-L678 HydrophobicContact CD2-CD1 3.8Å; Y661-L678 HydrophobicContact CE1-CD1 4.44Å; Y661-L678 HydrophobicContact CG-CD1 3.33Å; L674-L678 WeakPolarHBondContact O-CB 3.45Å; L674-L678 WeakPolarHBondContact O-CG 3.14Å; L674-L678 PolarHBondContact O-N 2.91Å; E676-L678 PolarHBondContact O-N 3.42Å; E676-L678 VanDerWaalsContact O-N 3.16Å |
| 679 | S | 87.1 | Confident | 93.3 | Very high | 81 Ų | 81 | 45.4 Ų | 45.4 | 57% | 0.566 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -16.5 | 179.1 | 68.8 | 0 | 0 | 0 | 0 | 113.9 | K675 E676 P681 | K675-S679 WeakPolarHBondContact O-CB 3.16Å; K675-S679 PolarHBondContact O-N 2.94Å; K675-S679 PolarHBondContact O-OG 2.91Å; E676-S679 PolarHBondContact O-N 3.27Å; E676-S679 PolarHBondContact O-OG 2.93Å; S679-P681 WeakPolarHBondContact O-CD 3.41Å |
| 680 | E | 85.3 | Confident | 92.6 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 19% | 0.192 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -69.4 | 123.8 | -179.9 | -69.9 | 179.7 | -170.9 | 0 | 0 | 111 | M194 L587 | M194-E680 VanDerWaalsContact CE-OE1 3.29Å; M194-E680 WeakPolarHBondContact CE-OE1 3.28Å; L587-E680 HydrophobicContact CD2-CB 3.94Å |
| 681 | P | 91.8 | Very high | 91.7 | Very high | 47 Ų | 47 | 40.3 Ų | 40.3 | 31% | 0.305 | 21% | 0.213 | S | C | . | . | trans | -76.2 | 142.5 | -179.5 | 30.3 | -34.6 | 0 | 0 | 0 | 111.8 | S679 R683 A713 | S679-P681 WeakPolarHBondContact O-CD 3.41Å; P681-R683 VanDerWaalsContact C-N 3.35Å; P681-R683 HydrophobicContact CG-CG 4.44Å; P681-R683 PolarHBondContact O-N 3.16Å; P681-A713 HydrophobicContact CB-CB 4.07Å | ||
| 682 | W | 95.4 | Very high | 90.6 | Very high | 57 Ų | 57 | 42.7 Ų | 42.7 | 22% | 0.216 | 22% | 0.223 | C | C | . | . | trans | -80.2 | 79.5 | 174.3 | -60.2 | 101.6 | 0 | 0 | 0 | 110.4 | L587 Y589 T604 R606 D654 L684 V712 | L587-W682 HydrophobicContact CB-CE3 4.39Å; L587-W682 HydrophobicContact CD1-CE3 4.24Å; L587-W682 HydrophobicContact CD1-CH2 4.13Å; L587-W682 HydrophobicContact CD1-CZ3 3.65Å; L587-W682 HydrophobicContact CD2-CD2 3.8Å; L587-W682 HydrophobicContact CD2-CE3 3.54Å; L587-W682 HydrophobicContact CD2-CH2 3.82Å; L587-W682 HydrophobicContact CD2-CZ2 4.04Å; L587-W682 HydrophobicContact CD2-CZ3 3.58Å; L587-W682 HydrophobicContact CG-CD2 4.15Å; L587-W682 HydrophobicContact CG-CE3 3.39Å; L587-W682 HydrophobicContact CG-CH2 4.02Å; L587-W682 HydrophobicContact CG-CZ3 3.33Å; Y589-W682 VanDerWaalsContact CB-CE3 3.48Å; Y589-W682 HydrophobicContact CD2-CD2 4.16Å; Y589-W682 HydrophobicContact CD2-CE3 4.33Å; Y589-W682 HydrophobicContact CD2-CZ2 4.43Å; Y589-W682 HydrophobicContact CG-CD2 4.44Å; Y589-W682 HydrophobicContact CG-CE3 4.42Å; T604-W682 HydrophobicContact CG2-CH2 3.7Å; T604-W682 HydrophobicContact CG2-CZ2 4.27Å; T604-W682 HydrophobicContact CG2-CZ3 4.02Å; R606-W682 HydrophobicContact CG-CH2 4.04Å; R606-W682 HydrophobicContact CG-CZ3 4.16Å; D654-W682 WeakPolarHBondContact OD1-CH2 3.45Å; D654-W682 VanDerWaalsContact OD1-CZ2 3.24Å; D654-W682 WeakPolarHBondContact OD1-CZ2 3.48Å; W682-L684 PolarHBondContact O-N 2.96Å; W682-V712 HydrophobicContact CB-CG2 3.81Å; W682-V712 WeakPolarHBondContact O-CG2 3.37Å | ||
| 683 | R | 96.4 | Very high | 89.6 | Confident | 73 Ų | 73 | 43.2 Ų | 43.2 | 28% | 0.275 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -65.2 | -17.4 | -177.7 | -70.5 | -179.8 | 174.3 | 85.6 | 7.7 | 114.3 | L587 P681 D715 G716 Y717 | L587-R683 PolarHBondContact O-N 2.86Å; P681-R683 VanDerWaalsContact C-N 3.35Å; P681-R683 HydrophobicContact CG-CG 4.44Å; P681-R683 PolarHBondContact O-N 3.16Å; R683-D715 IonicContact CZ-OD1 2.68Å; R683-D715 IonicContact CZ-OD2 3.03Å; R683-D715 VanDerWaalsContact NE-CG 3.33Å; R683-D715 IonicContact NE-OD1 3.23Å; R683-D715 PolarHBondContact NE-OD1 3.21Å; R683-D715 IonicContact NE-OD2 2.79Å; R683-D715 PolarHBondContact NE-OD2 2.95Å; R683-D715 IonicContact NH2-OD1 2.85Å; R683-D715 IonicContact NH2-OD2 3.47Å; R683-D715 PolarHBondContact NH2-OD2 3.14Å; R683-G716 CarbonylContact O-C 3.46Å; R683-G716 WeakPolarHBondContact O-CA 3.28Å; R683-Y717 PolarHBondContact O-N 3.45Å |
| 684 | L | 98.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 104.7 | 166.8 | -178.1 | 59.8 | 0 | 0 | 0 | 108.9 | L574 H578 L587 T588 Y589 W682 T686 V719 F747 | L574-L684 HydrophobicContact CB-CD2 4.34Å; H578-L684 HydrophobicContact CB-CD2 4.23Å; L587-L684 PolarHBondContact O-N 3.42Å; T588-L684 CarbonylContact C-O 3.56Å; T588-L684 VanDerWaalsContact CA-O 3.28Å; T588-L684 WeakPolarHBondContact CA-O 3.32Å; T588-L684 HydrophobicContact CG2-CB 4.01Å; T588-L684 HydrophobicContact CG2-CD2 3.73Å; T588-L684 HydrophobicContact CG2-CG 3.81Å; Y589-L684 PolarHBondContact N-O 3.24Å; W682-L684 PolarHBondContact O-N 2.96Å; L684-T686 HydrophobicContact CD1-CG2 4.04Å; L684-T686 HydrophobicContact CD2-CG2 4.43Å; L684-T686 HydrophobicContact CG-CG2 3.79Å; L684-V719 HydrophobicContact CD1-CG2 3.8Å; L684-F747 HydrophobicContact CD1-CE1 3.94Å; L684-F747 HydrophobicContact CD1-CZ 4.01Å |
| 685 | S | 98.3 | Very high | 88.2 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.4 | 178 | -178.7 | 0 | 0 | 0 | 0 | 110.7 | V712 Y717 G718 V719 | S685-V712 VanDerWaalsContact CB-CG2 3.42Å; S685-Y717 PolarHBondContact N-O 2.98Å; S685-G718 CarbonylContact O-C 3.57Å; S685-G718 WeakPolarHBondContact O-CA 3.39Å; S685-V719 PolarHBondContact O-N 3.45Å |
| 686 | T | 98.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 149.3 | -169.2 | 74.7 | 0 | 0 | 0 | 0 | 112.6 | Q571 L574 T588 Y589 E590 A591 L684 V719 | Q571-T686 PolarHBondContact NE2-OG1 3.4Å; L574-T686 HydrophobicContact CD1-CG2 3.85Å; T588-T686 HydrophobicContact CG2-CG2 4.28Å; Y589-T686 WeakPolarHBondContact O-CA 3.45Å; Y589-T686 WeakPolarHBondContact O-CB 3.34Å; Y589-T686 PolarHBondContact O-N 2.81Å; Y589-T686 PolarHBondContact O-OG1 3.49Å; E590-T686 WeakPolarHBondContact CA-O 3.28Å; E590-T686 WeakPolarHBondContact CA-OG1 3.49Å; E590-T686 WeakPolarHBondContact CB-OG1 3.41Å; A591-T686 PolarHBondContact N-O 3.14Å; L684-T686 HydrophobicContact CD1-CG2 4.04Å; L684-T686 HydrophobicContact CD2-CG2 4.43Å; L684-T686 HydrophobicContact CG-CG2 3.79Å; T686-V719 CarbonylContact C-O 3.56Å; T686-V719 WeakPolarHBondContact CA-O 3.31Å; T686-V719 HydrophobicContact CG2-CB 4.29Å |
| 687 | S | 96.3 | Very high | 87.3 | Confident | 19 Ų | 19 | 47.2 Ų | 47.2 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 142.7 | 166.7 | 64.3 | 0 | 0 | 0 | 0 | 112.9 | F709 V719 S720 Y721 | S687-F709 VanDerWaalsContact OG-CE1 3.24Å; S687-F709 WeakPolarHBondContact OG-CE1 3.36Å; S687-V719 PolarHBondContact N-O 2.91Å; S687-S720 WeakPolarHBondContact O-CA 3.35Å; S687-S720 PolarHBondContact O-OG 3.43Å; S687-Y721 PolarHBondContact O-N 2.72Å; S687-Y721 VanDerWaalsContact O-N 3.1Å |
| 688 | Q | 93.5 | Very high | 87 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.9 | 166.6 | -173.1 | -177.1 | 46.7 | 0 | 0 | 110.3 | P690 Y721 | Q688-P690 WeakPolarHBondContact O-CD 3.33Å; Q688-Y721 WeakPolarHBondContact CA-O 3.46Å; Q688-Y721 HydrophobicContact CB-CD2 4.26Å; Q688-Y721 HydrophobicContact CB-CE2 3.63Å; Q688-Y721 HydrophobicContact CG-CD2 4.08Å; Q688-Y721 HydrophobicContact CG-CE2 3.69Å |
| 689 | T | 84.9 | Confident | 86.9 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 10% | 0.098 | 26% | 0.264 | C | S | . | . | trans | -104.2 | 104.3 | 165.9 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | Y721 I722 | T689-Y721 PolarHBondContact N-O 2.91Å; T689-I722 VanDerWaalsContact O-CG1 3.28Å; T689-I722 WeakPolarHBondContact O-CG1 3.38Å | ||
| 690 | P | 77.3 | Confident | 86.9 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 34% | 0.344 | 27% | 0.265 | S | S | . | . | trans | -76.1 | 136.6 | -176.9 | 29.4 | -33.5 | 0 | 0 | 0 | 111.1 | Q688 | Q688-P690 WeakPolarHBondContact O-CD 3.33Š| ||
| 691 | Q | 74.6 | Confident | 86.9 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | trans | -72 | 130.1 | 168.2 | -163.9 | 172.5 | 13.5 | 0 | 0 | 110.1 | E486 I722 L724 | E486-Q691 VanDerWaalsContact OE1-CA 3.23Å; E486-Q691 WeakPolarHBondContact OE1-CA 3.46Å; Q691-I722 HydrophobicContact CB-CD1 4.35Å; Q691-L724 PolarHBondContact OE1-O 3.23Å | ||
| 692 | Q | 70.2 | Confident | 86.7 | Confident | 60 Ų | 60 | 52.6 Ų | 52.6 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | trans | -109.1 | -41.2 | -169.8 | -62.4 | -178.9 | 15.2 | 0 | 0 | 113.5 | P479 H483 E486 | P479-Q692 PolarHBondContact O-NE2 3.32Å; H483-Q692 PolarHBondContact CD2-OE1 3.24Å; E486-Q692 PolarHBondContact OE1-N 3.35Å; E486-Q692 PolarHBondContact OE2-N 3.05Å | ||
| 693 | H | 74 | Confident | 86.4 | Confident | 92 Ų | 92 | 50.5 Ų | 50.5 | 43% | 0.426 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -124.5 | -28.5 | -159.2 | -76.6 | -158.1 | 0 | 0 | 0 | 115.2 | H483 E486 N487 D695 | H483-H693 AromaticContact CD2-CE1 3.53Å; H483-H693 AromaticContact CD2-NE2 3.53Å; H483-H693 AromaticContact CE1-CE1 3.4Å; H483-H693 PolarHBondContact CE1-CE1 2.95Å; H483-H693 VanDerWaalsContact CE1-CE1 3.4Å; H483-H693 AromaticContact NE2-CE1 3Å; H483-H693 PolarHBondContact NE2-CE1 3.47Å; H483-H693 AromaticContact NE2-NE2 3.37Å; H483-H693 PolarHBondContact NE2-NE2 2.86Å; E486-H693 PolarHBondContact OE2-N 3.13Å; N487-H693 VanDerWaalsContact CG-ND1 3.32Å; N487-H693 PolarHBondContact ND2-CE1 3.32Å; N487-H693 PolarHBondContact ND2-ND1 3.48Å; N487-H693 PolarHBondContact OD1-ND1 3.03Å; H693-D695 PolarHBondContact O-N 3.01Å |
| 694 | I | 81.5 | Confident | 85.9 | Confident | 19 Ų | 19 | 47.3 Ų | 47.3 | 10% | 0.097 | 24% | 0.238 | C | C | . | . | trans | -80.6 | 121.7 | -178.5 | -63.3 | 170.3 | 0 | 0 | 0 | 109.8 | F259 E486 A490 L696 M702 | F259-I694 HydrophobicContact CE1-CD1 3.92Å; F259-I694 HydrophobicContact CZ-CD1 4.23Å; E486-I694 HydrophobicContact CB-CD1 4.19Å; E486-I694 HydrophobicContact CB-CG1 4.36Å; E486-I694 HydrophobicContact CG-CD1 4.25Å; A490-I694 HydrophobicContact CB-CG1 4.3Å; I694-L696 HydrophobicContact CG2-CD2 3.88Å; I694-L696 HydrophobicContact CG2-CG 4.36Å; I694-L696 PolarHBondContact O-N 2.9Å; I694-M702 HydrophobicContact CD1-CE 4.07Å; I694-M702 HydrophobicContact CG1-CE 4.33Å; I694-M702 HydrophobicContact CG2-CB 3.96Å; I694-M702 HydrophobicContact CG2-CE 4.41Å | ||
| 695 | D | 81.6 | Confident | 85.3 | Confident | 67 Ų | 67 | 47.4 Ų | 47.4 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | trans | -83 | 90.6 | 171.3 | -173 | -5.4 | 0 | 0 | 0 | 109.7 | H693 K697 K698 N699 | H693-D695 PolarHBondContact O-N 3.01Å; D695-K697 PolarHBondContact O-N 3.38Å; D695-K697 WeakPolarHBondContact OD1-CB 3.42Å; D695-K697 PolarHBondContact OD1-N 3.27Å; D695-K697 VanDerWaalsContact OD1-N 3.09Å; D695-K698 HydrophobicContact CB-CB 4.4Å; D695-K698 HydrophobicContact CB-CD 4.43Å; D695-K698 PolarHBondContact O-N 3.41Å; D695-K698 VanDerWaalsContact OD2-CD 3.28Å; D695-K698 WeakPolarHBondContact OD2-CD 3.31Å; D695-K698 VanDerWaalsContact OD2-CE 3.24Å; D695-K698 WeakPolarHBondContact OD2-CE 3.24Å; D695-K698 WeakPolarHBondContact OD2-CG 3.26Å; D695-K698 IonicContact OD2-NZ 2.63Å; D695-N699 PolarHBondContact O-N 2.85Å; D695-N699 PolarHBondContact O-ND2 2.83Å | ||
| 696 | L | 83.9 | Confident | 85 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 9% | 0.094 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17.4 | 178.3 | -68.4 | 178.9 | 0 | 0 | 0 | 113.4 | I694 K698 N699 P700 M702 L703 L724 D725 | I694-L696 HydrophobicContact CG2-CD2 3.88Å; I694-L696 HydrophobicContact CG2-CG 4.36Å; I694-L696 PolarHBondContact O-N 2.9Å; L696-K698 VanDerWaalsContact C-N 3.28Å; L696-N699 CarbonylContact O-C 3.51Å; L696-P700 VanDerWaalsContact O-CA 3.24Å; L696-P700 WeakPolarHBondContact O-CA 3.36Å; L696-M702 WeakPolarHBondContact CD2-O 3.48Å; L696-L703 HydrophobicContact CD1-CD1 3.89Å; L696-L703 HydrophobicContact CD2-CD1 4.44Å; L696-L724 HydrophobicContact CD1-CB 4.34Å; L696-D725 HydrophobicContact CD1-CB 4.14Å |
| 697 | K | 83.8 | Confident | 84.8 | Confident | 174 Ų | 174 | 47.7 Ų | 47.7 | 76% | 0.757 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -29.9 | 172.8 | -63.8 | -174.9 | 177.9 | -176.2 | 0 | 111.7 | D695 | D695-K697 PolarHBondContact O-N 3.38Å; D695-K697 WeakPolarHBondContact OD1-CB 3.42Å; D695-K697 PolarHBondContact OD1-N 3.27Å; D695-K697 VanDerWaalsContact OD1-N 3.09Å |
| 698 | K | 86 | Confident | 84.8 | Confident | 163 Ų | 163 | 46.9 Ų | 46.9 | 71% | 0.709 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -30.8 | 177.9 | -67.7 | -179.3 | -174.2 | 175.5 | 0 | 112.7 | D695 L696 | D695-K698 HydrophobicContact CB-CB 4.4Å; D695-K698 HydrophobicContact CB-CD 4.43Å; D695-K698 PolarHBondContact O-N 3.41Å; D695-K698 VanDerWaalsContact OD2-CD 3.28Å; D695-K698 WeakPolarHBondContact OD2-CD 3.31Å; D695-K698 VanDerWaalsContact OD2-CE 3.24Å; D695-K698 WeakPolarHBondContact OD2-CE 3.24Å; D695-K698 WeakPolarHBondContact OD2-CG 3.26Å; D695-K698 IonicContact OD2-NZ 2.63Å; L696-K698 VanDerWaalsContact C-N 3.28Å |
| 699 | N | 86.7 | Confident | 85 | Confident | 36 Ų | 36 | 46.2 Ų | 46.2 | 19% | 0.193 | 23% | 0.234 | C | C | . | . | trans | -131.9 | 70.1 | -177.2 | -45.3 | -89.8 | 0 | 0 | 0 | 109.6 | D695 L696 E701 M702 | D695-N699 PolarHBondContact O-N 2.85Å; D695-N699 PolarHBondContact O-ND2 2.83Å; L696-N699 CarbonylContact O-C 3.51Å; N699-E701 WeakPolarHBondContact CA-OE2 3.31Å; N699-E701 PolarHBondContact O-N 3.48Å; N699-M702 HydrophobicContact CB-CB 4.25Å; N699-M702 HydrophobicContact CB-CG 3.91Å; N699-M702 HydrophobicContact CB-SD 3.5Å; N699-M702 VanDerWaalsContact CB-SD 3.5Å; N699-M702 PolarHBondContact O-N 2.93Å | ||
| 700 | P | 86.5 | Confident | 85.6 | Confident | 90 Ų | 90 | 45.6 Ų | 45.6 | 58% | 0.584 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.3 | -175.1 | 25.7 | -35.6 | 0 | 0 | 0 | 113.9 | L696 M702 | L696-P700 VanDerWaalsContact O-CA 3.24Å; L696-P700 WeakPolarHBondContact O-CA 3.36Å; P700-M702 VanDerWaalsContact C-N 3.3Å; P700-M702 PolarHBondContact O-N 3.49Å |
| 701 | E | 85.4 | Confident | 86.5 | Confident | 65 Ų | 65 | 43.2 Ų | 43.2 | 30% | 0.304 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -20.2 | 177.8 | 72.7 | -78 | -171.7 | 0 | 0 | 113.7 | L262 Y493 N699 L703 | L262-E701 HydrophobicContact CD1-CG 4.43Å; L262-E701 HydrophobicContact CD2-CG 4.23Å; Y493-E701 HydrophobicContact CE1-CG 4.4Å; Y493-E701 WeakPolarHBondContact CE1-OE1 3.44Å; Y493-E701 PolarHBondContact OH-OE1 3.34Å; N699-E701 WeakPolarHBondContact CA-OE2 3.31Å; N699-E701 PolarHBondContact O-N 3.48Å; E701-L703 PolarHBondContact O-N 2.81Å |
| 702 | M | 88.7 | Confident | 87.3 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | trans | -83.8 | 37.9 | -178.5 | -65.1 | 178.9 | 69.6 | 0 | 0 | 112.6 | F259 L262 A490 Y493 L494 I694 L696 N699 P700 S704 | F259-M702 HydrophobicContact CD1-CB 4.15Å; F259-M702 WeakPolarHBondContact CD1-O 3.44Å; F259-M702 HydrophobicContact CE1-CB 3.63Å; F259-M702 HydrophobicContact CE1-CE 4.25Å; F259-M702 HydrophobicContact CE1-CG 4.29Å; F259-M702 WeakPolarHBondContact CE1-O 3.39Å; F259-M702 HydrophobicContact CE2-CE 4.28Å; F259-M702 HydrophobicContact CE2-CG 4.46Å; F259-M702 HydrophobicContact CZ-CB 3.88Å; F259-M702 HydrophobicContact CZ-CE 3.52Å; F259-M702 HydrophobicContact CZ-CG 4.05Å; L262-M702 HydrophobicContact CD2-CG 4.16Å; A490-M702 HydrophobicContact CB-CE 3.73Å; Y493-M702 HydrophobicContact CD1-CE 4.39Å; Y493-M702 HydrophobicContact CD1-CG 4.05Å; Y493-M702 HydrophobicContact CD1-SD 3.78Å; Y493-M702 HydrophobicContact CE1-CG 4.23Å; Y493-M702 HydrophobicContact CE1-SD 4.26Å; L494-M702 HydrophobicContact CD1-CE 4.24Å; L494-M702 HydrophobicContact CD1-SD 4.11Å; L494-M702 HydrophobicContact CD2-SD 4.07Å; L494-M702 HydrophobicContact CG-CE 4.35Å; L494-M702 HydrophobicContact CG-SD 4.13Å; I694-M702 HydrophobicContact CD1-CE 4.07Å; I694-M702 HydrophobicContact CG1-CE 4.33Å; I694-M702 HydrophobicContact CG2-CB 3.96Å; I694-M702 HydrophobicContact CG2-CE 4.41Å; L696-M702 WeakPolarHBondContact CD2-O 3.48Å; N699-M702 HydrophobicContact CB-CB 4.25Å; N699-M702 HydrophobicContact CB-CG 3.91Å; N699-M702 HydrophobicContact CB-SD 3.5Å; N699-M702 VanDerWaalsContact CB-SD 3.5Å; N699-M702 PolarHBondContact O-N 2.93Å; P700-M702 VanDerWaalsContact C-N 3.3Å; P700-M702 PolarHBondContact O-N 3.49Å; M702-S704 PolarHBondContact O-N 3.15Å | ||
| 703 | L | 88 | Confident | 88.4 | Confident | 13 Ų | 13 | 42.7 Ų | 42.7 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | trans | -73.9 | 107.3 | 178.6 | -162.6 | 79.3 | 0 | 0 | 0 | 109.5 | F259 L260 Y261 L696 E701 L724 | F259-L703 CarbonylContact C-O 3.46Å; F259-L703 VanDerWaalsContact CA-O 3.28Å; F259-L703 WeakPolarHBondContact CA-O 3.13Å; L260-L703 HydrophobicContact CB-CD2 4.49Å; L260-L703 HydrophobicContact CD2-CD2 3.93Å; L260-L703 PolarHBondContact N-O 2.91Å; Y261-L703 HydrophobicContact CE2-CD2 4.02Å; L696-L703 HydrophobicContact CD1-CD1 3.89Å; L696-L703 HydrophobicContact CD2-CD1 4.44Å; E701-L703 PolarHBondContact O-N 2.81Å; L703-L724 HydrophobicContact CD1-CB 3.78Å; L703-L724 HydrophobicContact CD1-CD1 3.8Å; L703-L724 HydrophobicContact CD1-CD2 4.11Å; L703-L724 HydrophobicContact CD1-CG 4.1Å; L703-L724 HydrophobicContact CD2-CD1 4Å; L703-L724 HydrophobicContact CG-CD1 3.9Å; L703-L724 HydrophobicContact CG-CD2 4.3Å | ||
| 704 | S | 85.5 | Confident | 89.4 | Confident | 7 Ų | 7 | 43.8 Ų | 43.8 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -85.7 | 135.5 | 174.6 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | M702 G706 L724 | M702-S704 PolarHBondContact O-N 3.15Å; S704-G706 PolarHBondContact O-N 3.44Å; S704-G706 VanDerWaalsContact O-N 3.16Å; S704-G706 PolarHBondContact OG-N 3.3Å; S704-L724 WeakPolarHBondContact O-CD2 3.49Å |
| 705 | S | 86.6 | Confident | 90.1 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | trans | -71.2 | -2.8 | 176.4 | -65.2 | 0 | 0 | 0 | 0 | 114 | D258 L260 H730 H732 | D258-S705 PolarHBondContact O-N 2.92Å; L260-S705 WeakPolarHBondContact CD1-OG 3.28Å; S705-H730 VanDerWaalsContact CB-CE1 3.42Å; S705-H730 WeakPolarHBondContact CB-CE1 3.29Å; S705-H730 WeakPolarHBondContact CB-ND1 3.49Å; S705-H730 PolarHBondContact OG-CE1 2.81Å; S705-H730 VanDerWaalsContact OG-CE1 3.24Å; S705-H730 PolarHBondContact OG-ND1 3.47Å; S705-H732 PolarHBondContact O-NE2 2.86Å | ||
| 706 | G | 91.8 | Very high | 90.9 | Very high | 8 Ų | 8 | 42 Ų | 42 | 8% | 0.082 | 22% | 0.22 | C | C | . | . | trans | 72.1 | -137.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A256 M257 S704 | A256-G706 WeakPolarHBondContact CA-O 3.4Å; M257-G706 PolarHBondContact N-O 3.43Å; S704-G706 PolarHBondContact O-N 3.44Å; S704-G706 VanDerWaalsContact O-N 3.16Å; S704-G706 PolarHBondContact OG-N 3.3Å | ||
| 707 | G | 94.3 | Very high | 91.6 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 8% | 0.082 | 22% | 0.215 | C | C | . | . | trans | -165.8 | 171.6 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | F255 S720 H732 | F255-G707 CarbonylContact O-C 3.59Å; F255-G707 WeakPolarHBondContact O-CA 3.48Å; G707-S720 WeakPolarHBondContact O-CB 3.38Å; G707-S720 PolarHBondContact O-OG 3.31Å; G707-S720 VanDerWaalsContact O-OG 3.11Å; G707-H732 PolarHBondContact O-CD2 3.48Å; G707-H732 VanDerWaalsContact O-CD2 3.25Å | ||
| 708 | G | 96.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | trans | -148 | -175.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y254 F255 | Y254-G708 WeakPolarHBondContact CA-O 3.44Å; Y254-G708 WeakPolarHBondContact CB-O 3.37Å; F255-G708 WeakPolarHBondContact CD1-O 3.45Å; F255-G708 WeakPolarHBondContact CE1-O 3.5Å; F255-G708 PolarHBondContact N-O 3.12Å; F255-G708 PolarHBondContact O-N 3.06Å | ||
| 709 | F | 97.9 | Very high | 92.9 | Very high | 36 Ų | 36 | 25.2 Ų | 25.2 | 16% | 0.158 | 15% | 0.146 | C | C | . | . | B | Isolated β-bridge | trans | -149.2 | 163.5 | -178.3 | 52.1 | -83.1 | 0 | 0 | 0 | 109.5 | S687 S734 | S687-F709 VanDerWaalsContact OG-CE1 3.24Å; S687-F709 WeakPolarHBondContact OG-CE1 3.36Å; F709-S734 WeakPolarHBondContact O-CB 3.27Å; F709-S734 PolarHBondContact O-OG 2.89Å |
| 710 | G | 96.9 | Very high | 93.4 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 3% | 0.031 | 14% | 0.137 | C | C | . | . | trans | -71.5 | 168.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | S734 | G710-S734 VanDerWaalsContact C-OG 3.23Å; G710-S734 WeakPolarHBondContact CA-OG 3.42Å | ||
| 711 | P | 95.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 3% | 0.026 | 11% | 0.11 | C | C | . | . | trans | -66.9 | 149.2 | 176 | 31.4 | -37 | 0 | 0 | 0 | 110.8 | S734 K736 | P711-S734 WeakPolarHBondContact CD-OG 3.41Å; P711-K736 HydrophobicContact CG-CD 3.75Å; P711-K736 HydrophobicContact CG-CG 3.93Å | ||
| 712 | V | 92.3 | Very high | 94.3 | Very high | 81 Ų | 81 | 16.6 Ų | 16.6 | 49% | 0.491 | 10% | 0.097 | S | C | . | . | S | Bend | trans | -96 | -6.4 | 179.2 | -54.6 | 0 | 0 | 0 | 0 | 113.4 | W682 S685 | W682-V712 HydrophobicContact CB-CG2 3.81Å; W682-V712 WeakPolarHBondContact O-CG2 3.37Å; S685-V712 VanDerWaalsContact CB-CG2 3.42Å |
| 713 | A | 94.3 | Very high | 94.6 | Very high | 9 Ų | 9 | 17.4 Ų | 17.4 | 7% | 0.074 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -135.1 | 140 | 174.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | P681 D715 G716 | P681-A713 HydrophobicContact CB-CB 4.07Å; A713-D715 PolarHBondContact O-N 3.4Å; A713-G716 PolarHBondContact O-N 3.05Å |
| 714 | D | 94.9 | Very high | 94.6 | Very high | 114 Ų | 114 | 16.9 Ų | 16.9 | 61% | 0.61 | 10% | 0.098 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27.3 | -178.5 | -63.5 | -30.3 | 0 | 0 | 0 | 112.1 | C739 | D714-C739 VanDerWaalsContact O-CB 3.3Å; D714-C739 WeakPolarHBondContact O-CB 3.49Å |
| 715 | D | 96.4 | Very high | 94.7 | Very high | 50 Ų | 50 | 18.8 Ų | 18.8 | 27% | 0.267 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 31.8 | 177.3 | 69.3 | -20.8 | 0 | 0 | 0 | 112.9 | R683 A713 | R683-D715 IonicContact CZ-OD1 2.68Å; R683-D715 IonicContact CZ-OD2 3.03Å; R683-D715 VanDerWaalsContact NE-CG 3.33Å; R683-D715 IonicContact NE-OD1 3.23Å; R683-D715 PolarHBondContact NE-OD1 3.21Å; R683-D715 IonicContact NE-OD2 2.79Å; R683-D715 PolarHBondContact NE-OD2 2.95Å; R683-D715 IonicContact NH2-OD1 2.85Å; R683-D715 IonicContact NH2-OD2 3.47Å; R683-D715 PolarHBondContact NH2-OD2 3.14Å; A713-D715 PolarHBondContact O-N 3.4Å |
| 716 | G | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -144 | -176.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | R683 A713 | R683-G716 CarbonylContact O-C 3.46Å; R683-G716 WeakPolarHBondContact O-CA 3.28Å; A713-G716 PolarHBondContact O-N 3.05Å |
| 717 | Y | 98.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 141.4 | -178.1 | -65 | -74.4 | 0 | 0 | 0 | 112.3 | D581 M582 R683 S685 V733 S734 T742 D743 F747 | D581-Y717 PolarHBondContact OD2-OH 3.23Å; M582-Y717 HydrophobicContact CE-CD2 4.27Å; M582-Y717 HydrophobicContact CE-CE2 3.46Å; M582-Y717 VanDerWaalsContact CE-CE2 3.46Å; R683-Y717 PolarHBondContact O-N 3.45Å; S685-Y717 PolarHBondContact N-O 2.98Å; Y717-V733 HydrophobicContact CD1-CG1 4.15Å; Y717-S734 CarbonylContact C-O 3.43Å; Y717-S734 VanDerWaalsContact CA-O 3.27Å; Y717-S734 WeakPolarHBondContact CA-O 3.49Å; Y717-T742 HydrophobicContact CD2-CG2 4.47Å; Y717-T742 HydrophobicContact CE1-CG2 4.16Å; Y717-T742 HydrophobicContact CE2-CG2 4.08Å; Y717-T742 WeakPolarHBondContact OH-CA 3.28Å; Y717-D743 PolarHBondContact OH-N 2.85Å; Y717-D743 PolarHBondContact OH-O 3.26Å; Y717-F747 HydrophobicContact CD1-CB 4.32Å; Y717-F747 AromaticContact CD1-CD1 3.56Å; Y717-F747 HydrophobicContact CD1-CD1 3.56Å; Y717-F747 HydrophobicContact CD1-CE1 4.23Å; Y717-F747 HydrophobicContact CD1-CG 4.22Å; Y717-F747 AromaticContact CD2-CD1 3.78Å; Y717-F747 HydrophobicContact CD2-CD1 3.78Å; Y717-F747 AromaticContact CD2-CE1 3.87Å; Y717-F747 HydrophobicContact CD2-CE1 3.87Å; Y717-F747 HydrophobicContact CD2-CG 4.25Å; Y717-F747 HydrophobicContact CD2-CZ 4.43Å; Y717-F747 HydrophobicContact CE1-CB 3.72Å; Y717-F747 AromaticContact CE1-CD1 3.83Å; Y717-F747 HydrophobicContact CE1-CD1 3.83Å; Y717-F747 HydrophobicContact CE1-CG 4.01Å; Y717-F747 HydrophobicContact CE2-CB 4.3Å; Y717-F747 AromaticContact CE2-CD1 3.99Å; Y717-F747 HydrophobicContact CE2-CD1 3.99Å; Y717-F747 HydrophobicContact CE2-CD2 4.38Å; Y717-F747 HydrophobicContact CE2-CE1 4.41Å; Y717-F747 AromaticContact CE2-CG 3.98Å; Y717-F747 HydrophobicContact CE2-CG 3.98Å; Y717-F747 AromaticContact CG-CD1 3.54Å; Y717-F747 HydrophobicContact CG-CD1 3.54Å; Y717-F747 AromaticContact CG-CE1 3.75Å; Y717-F747 HydrophobicContact CG-CE1 3.75Å; Y717-F747 HydrophobicContact CG-CG 4.34Å; Y717-F747 AromaticContact CZ-CG 3.87Å |
| 718 | G | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129.2 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110 | S685 V733 S734 | S685-G718 CarbonylContact O-C 3.57Å; S685-G718 WeakPolarHBondContact O-CA 3.39Å; G718-V733 CarbonylContact O-C 3.46Å; G718-V733 WeakPolarHBondContact O-CA 3.4Å; G718-S734 PolarHBondContact N-O 3.46Å; G718-S734 PolarHBondContact O-N 3.3Å; G718-S734 PolarHBondContact O-OG 3.44Å |
| 719 | V | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 113.5 | 178.1 | -173 | 0 | 0 | 0 | 0 | 110.9 | L574 L684 S685 T686 S687 F731 H732 V733 F747 | L574-V719 HydrophobicContact CD1-CG1 4.2Å; L574-V719 HydrophobicContact CD2-CG1 4.06Å; L684-V719 HydrophobicContact CD1-CG2 3.8Å; S685-V719 PolarHBondContact O-N 3.45Å; T686-V719 CarbonylContact C-O 3.56Å; T686-V719 WeakPolarHBondContact CA-O 3.31Å; T686-V719 HydrophobicContact CG2-CB 4.29Å; S687-V719 PolarHBondContact N-O 2.91Å; V719-F731 HydrophobicContact CG1-CD1 4.3Å; V719-H732 CarbonylContact C-O 3.57Å; V719-H732 VanDerWaalsContact CA-O 3.3Å; V719-H732 WeakPolarHBondContact CA-O 3.38Å; V719-V733 HydrophobicContact CG1-CG2 4.49Å; V719-V733 HydrophobicContact CG2-CG1 4.49Å; V719-V733 HydrophobicContact CG2-CG2 4.49Å; V719-F747 HydrophobicContact CG2-CD1 4.44Å; V719-F747 HydrophobicContact CG2-CE1 3.67Å |
| 720 | S | 97.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 146.2 | 165.2 | -160.9 | 0 | 0 | 0 | 0 | 110.9 | S687 G707 F731 H732 | S687-S720 WeakPolarHBondContact O-CA 3.35Å; S687-S720 PolarHBondContact O-OG 3.43Å; G707-S720 WeakPolarHBondContact O-CB 3.38Å; G707-S720 PolarHBondContact O-OG 3.31Å; G707-S720 VanDerWaalsContact O-OG 3.11Å; S720-F731 CarbonylContact O-C 3.52Å; S720-F731 WeakPolarHBondContact O-CA 3.45Å; S720-H732 PolarHBondContact N-O 3.16Å; S720-H732 PolarHBondContact O-N 2.97Å |
| 721 | Y | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 0% | 0.004 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 148.7 | 172.9 | 57.4 | -87.5 | 0 | 0 | 0 | 112.3 | D567 V570 Q571 L574 E590 S687 Q688 T689 I723 H730 F731 | D567-Y721 PolarHBondContact OD1-OH 2.84Å; V570-Y721 HydrophobicContact CB-CD2 4.48Å; V570-Y721 HydrophobicContact CB-CE2 4.14Å; V570-Y721 HydrophobicContact CG1-CD1 3.88Å; V570-Y721 HydrophobicContact CG1-CD2 3.89Å; V570-Y721 HydrophobicContact CG1-CE1 3.81Å; V570-Y721 HydrophobicContact CG1-CE2 3.82Å; V570-Y721 HydrophobicContact CG1-CG 3.93Å; Q571-Y721 PolarHBondContact NE2-OH 3.33Å; L574-Y721 HydrophobicContact CD1-CD1 4.49Å; L574-Y721 HydrophobicContact CD1-CE1 4.19Å; E590-Y721 PolarHBondContact OE1-OH 3.46Å; S687-Y721 PolarHBondContact O-N 2.72Å; S687-Y721 VanDerWaalsContact O-N 3.1Å; Q688-Y721 WeakPolarHBondContact CA-O 3.46Å; Q688-Y721 HydrophobicContact CB-CD2 4.26Å; Q688-Y721 HydrophobicContact CB-CE2 3.63Å; Q688-Y721 HydrophobicContact CG-CD2 4.08Å; Q688-Y721 HydrophobicContact CG-CE2 3.69Å; T689-Y721 PolarHBondContact N-O 2.91Å; Y721-I723 HydrophobicContact CD2-CG1 4.33Å; Y721-H730 VanDerWaalsContact CA-O 3.22Å; Y721-H730 WeakPolarHBondContact CA-O 3.27Å; Y721-F731 HydrophobicContact CD1-CE1 4.43Å; Y721-F731 HydrophobicContact CG-CD1 4.49Å; Y721-F731 HydrophobicContact CG-CE1 4.18Å |
| 722 | I | 94.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 4% | 0.036 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 125.3 | 172.1 | -179.3 | 161.8 | 0 | 0 | 0 | 109.1 | T689 Q691 L724 I729 H730 | T689-I722 VanDerWaalsContact O-CG1 3.28Å; T689-I722 WeakPolarHBondContact O-CG1 3.38Å; Q691-I722 HydrophobicContact CB-CD1 4.35Å; I722-L724 HydrophobicContact CD1-CD2 4.17Å; I722-L724 HydrophobicContact CG1-CD2 3.95Å; I722-L724 HydrophobicContact CG2-CD2 3.86Å; I722-L724 HydrophobicContact CG2-CG 4.28Å; I722-L724 PolarHBondContact O-N 2.83Å; I722-I729 WeakPolarHBondContact O-CA 3.26Å; I722-I729 WeakPolarHBondContact O-CG2 3.42Å; I722-H730 HydrophobicContact CG2-CB 3.67Å; I722-H730 PolarHBondContact N-O 2.9Å; I722-H730 PolarHBondContact O-N 3.49Å |
| 723 | I | 93.4 | Very high | 95.2 | Very high | 17 Ų | 17 | 20.6 Ų | 20.6 | 9% | 0.087 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 99 | 175.1 | -56.3 | -175.5 | 0 | 0 | 0 | 107.4 | K556 P566 Y721 I729 | K556-I723 HydrophobicContact CB-CG2 3.7Å; K556-I723 HydrophobicContact CD-CG2 3.96Å; K556-I723 HydrophobicContact CG-CG2 4.39Å; P566-I723 HydrophobicContact CB-CD1 3.6Å; Y721-I723 HydrophobicContact CD2-CG1 4.33Å; I723-I729 HydrophobicContact CG1-CD1 4.47Å; I723-I729 HydrophobicContact CG1-CG1 4.46Å; I723-I729 HydrophobicContact CG1-CG2 4.41Å; I723-I729 HydrophobicContact CG2-CG1 4.36Å |
| 724 | L | 88.5 | Confident | 95.4 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | trans | -72.1 | -70.9 | -169.7 | -61.1 | 165.6 | 0 | 0 | 0 | 110.4 | L550 K556 Q691 L696 L703 S704 I722 S728 H730 | L550-L724 HydrophobicContact CD1-CD1 3.65Å; K556-L724 PolarHBondContact NZ-O 2.94Å; K556-L724 VanDerWaalsContact NZ-O 3.11Å; Q691-L724 PolarHBondContact OE1-O 3.23Å; L696-L724 HydrophobicContact CD1-CB 4.34Å; L703-L724 HydrophobicContact CD1-CB 3.78Å; L703-L724 HydrophobicContact CD1-CD1 3.8Å; L703-L724 HydrophobicContact CD1-CD2 4.11Å; L703-L724 HydrophobicContact CD1-CG 4.1Å; L703-L724 HydrophobicContact CD2-CD1 4Å; L703-L724 HydrophobicContact CG-CD1 3.9Å; L703-L724 HydrophobicContact CG-CD2 4.3Å; S704-L724 WeakPolarHBondContact O-CD2 3.49Å; I722-L724 HydrophobicContact CD1-CD2 4.17Å; I722-L724 HydrophobicContact CG1-CD2 3.95Å; I722-L724 HydrophobicContact CG2-CD2 3.86Å; I722-L724 HydrophobicContact CG2-CG 4.28Å; I722-L724 PolarHBondContact O-N 2.83Å; L724-S728 PolarHBondContact N-O 3.33Å; L724-H730 HydrophobicContact CD1-CB 4.04Å | ||
| 725 | D | 88.2 | Confident | 95.5 | Very high | 47 Ų | 47 | 14.7 Ų | 14.7 | 25% | 0.251 | 8% | 0.077 | S | C | . | . | S | Bend | trans | -135.8 | -158.3 | -172.1 | 70.6 | 6 | 0 | 0 | 0 | 112.2 | K556 L696 N727 S728 | K556-D725 WeakPolarHBondContact CD-O 3.44Å; K556-D725 VanDerWaalsContact CG-O 3.25Å; K556-D725 WeakPolarHBondContact CG-O 3.25Å; K556-D725 PolarHBondContact N-O 3.3Å; L696-D725 HydrophobicContact CD1-CB 4.14Å; D725-N727 PolarHBondContact O-N 3.44Å; D725-N727 WeakPolarHBondContact OD1-CA 3.44Å; D725-N727 PolarHBondContact OD1-N 3.29Å; D725-S728 PolarHBondContact OD1-N 2.91Å; D725-S728 PolarHBondContact OD1-OG 3.33Å |
| 726 | E | 90.4 | Very high | 95.6 | Very high | 65 Ų | 65 | 12.5 Ų | 12.5 | 30% | 0.304 | 7% | 0.065 | S | C | . | . | S | Bend | trans | -69.5 | -20.5 | 179.7 | -58.7 | -59 | 142.9 | 0 | 0 | 112.7 | G555 K556 G557 | G555-E726 CarbonylContact C-O 3.51Å; G555-E726 VanDerWaalsContact CA-O 3.23Å; G555-E726 WeakPolarHBondContact CA-O 3.36Å; G555-E726 PolarHBondContact N-O 3.17Å; G555-E726 VanDerWaalsContact N-O 3.14Å; K556-E726 VanDerWaalsContact CE-OE1 3.31Å; K556-E726 WeakPolarHBondContact CE-OE1 3.09Å; G557-E726 WeakPolarHBondContact CA-OE2 3.16Å; G557-E726 PolarHBondContact N-O 2.88Å; G557-E726 PolarHBondContact N-OE2 2.94Å |
| 727 | N | 92.4 | Very high | 95.6 | Very high | 105 Ų | 105 | 17.4 Ų | 17.4 | 56% | 0.561 | 9% | 0.09 | S | C | * | . | S | Bend | trans | -125 | -9.8 | -166 | -59.7 | -34 | 0 | 0 | 0 | 114.4 | D552 F554 G555 D725 | D552-N727 CarbonylContact C-O 3.56Å; F554-N727 CarbonylContact C-O 3.28Å; F554-N727 VanDerWaalsContact CA-O 3.26Å; F554-N727 WeakPolarHBondContact CA-O 3.29Å; F554-N727 PolarHBondContact N-O 3.17Å; G555-N727 VanDerWaalsContact N-CA 3.28Å; G555-N727 PolarHBondContact N-O 3.36Å; D725-N727 PolarHBondContact O-N 3.44Å; D725-N727 WeakPolarHBondContact OD1-CA 3.44Å; D725-N727 PolarHBondContact OD1-N 3.29Å |
| 728 | S | 92.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 6% | 0.056 | 12% | 0.119 | C | C | . | . | trans | -141.2 | 150.7 | -172.9 | 62.4 | 0 | 0 | 0 | 0 | 114.9 | F551 L724 D725 | F551-S728 CarbonylContact O-C 3.54Å; F551-S728 VanDerWaalsContact O-CA 3.24Å; F551-S728 WeakPolarHBondContact O-CA 3.47Å; L724-S728 PolarHBondContact N-O 3.33Å; D725-S728 PolarHBondContact OD1-N 2.91Å; D725-S728 PolarHBondContact OD1-OG 3.33Å | ||
| 729 | I | 95.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 134.6 | 174.8 | -55.2 | 177.5 | 0 | 0 | 0 | 107.3 | F551 I559 V570 I722 I723 F731 M755 | F551-I729 WeakPolarHBondContact CA-O 3.2Å; F551-I729 WeakPolarHBondContact CB-O 3.25Å; F551-I729 PolarHBondContact N-O 2.83Å; F551-I729 PolarHBondContact O-N 3.32Å; I559-I729 HydrophobicContact CD1-CD1 4.14Å; V570-I729 HydrophobicContact CG2-CD1 3.99Å; I722-I729 WeakPolarHBondContact O-CA 3.26Å; I722-I729 WeakPolarHBondContact O-CG2 3.42Å; I723-I729 HydrophobicContact CG1-CD1 4.47Å; I723-I729 HydrophobicContact CG1-CG1 4.46Å; I723-I729 HydrophobicContact CG1-CG2 4.41Å; I723-I729 HydrophobicContact CG2-CG1 4.36Å; I729-F731 HydrophobicContact CB-CE2 3.96Å; I729-F731 HydrophobicContact CG2-CD2 4.09Å; I729-F731 HydrophobicContact CG2-CE1 4.48Å; I729-F731 HydrophobicContact CG2-CE2 3.49Å; I729-F731 VanDerWaalsContact CG2-CE2 3.49Å; I729-F731 HydrophobicContact CG2-CZ 3.72Å; I729-M755 HydrophobicContact CD1-CE 3.76Å |
| 730 | H | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 134.6 | 174.2 | -156.5 | 127.3 | 0 | 0 | 0 | 109.5 | S548 F549 L550 S705 Y721 I722 L724 H732 | S548-H730 PolarHBondContact OG-NE2 2.8Å; F549-H730 PolarHBondContact O-CD2 3.15Å; F549-H730 VanDerWaalsContact O-CD2 3.26Å; L550-H730 HydrophobicContact CD1-CB 4.43Å; S705-H730 VanDerWaalsContact CB-CE1 3.42Å; S705-H730 WeakPolarHBondContact CB-CE1 3.29Å; S705-H730 WeakPolarHBondContact CB-ND1 3.49Å; S705-H730 PolarHBondContact OG-CE1 2.81Å; S705-H730 VanDerWaalsContact OG-CE1 3.24Å; S705-H730 PolarHBondContact OG-ND1 3.47Å; Y721-H730 VanDerWaalsContact CA-O 3.22Å; Y721-H730 WeakPolarHBondContact CA-O 3.27Å; I722-H730 HydrophobicContact CG2-CB 3.67Å; I722-H730 PolarHBondContact N-O 2.9Å; I722-H730 PolarHBondContact O-N 3.49Å; L724-H730 HydrophobicContact CD1-CB 4.04Å; H730-H732 AromaticContact CD2-CE1 3.92Å; H730-H732 AromaticContact CD2-NE2 3.56Å; H730-H732 AromaticContact NE2-CE1 3.92Å; H730-H732 AromaticContact NE2-NE2 4Å |
| 731 | F | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.7 | 177.5 | -69.9 | -90.1 | 0 | 0 | 0 | 111.7 | S548 F549 F551 V570 V719 S720 Y721 I729 I751 | S548-F731 WeakPolarHBondContact CA-O 3.47Å; S548-F731 PolarHBondContact OG-O 2.9Å; F549-F731 HydrophobicContact CD1-CB 4.24Å; F549-F731 HydrophobicContact CE1-CB 3.72Å; F549-F731 HydrophobicContact CE1-CG 4.49Å; F549-F731 HydrophobicContact CE2-CB 4.07Å; F549-F731 AromaticContact CE2-CD2 3.78Å; F549-F731 HydrophobicContact CE2-CD2 3.78Å; F549-F731 HydrophobicContact CE2-CG 4.2Å; F549-F731 HydrophobicContact CZ-CB 3.63Å; F549-F731 AromaticContact CZ-CD2 3.96Å; F549-F731 HydrophobicContact CZ-CD2 3.96Å; F549-F731 AromaticContact CZ-CG 3.92Å; F549-F731 HydrophobicContact CZ-CG 3.92Å; F549-F731 PolarHBondContact N-O 3.46Å; F549-F731 PolarHBondContact O-N 3.05Å; F551-F731 HydrophobicContact CB-CD2 4.21Å; F551-F731 HydrophobicContact CB-CE2 4.04Å; V570-F731 HydrophobicContact CG1-CE1 3.72Å; V570-F731 HydrophobicContact CG1-CZ 3.98Å; V570-F731 HydrophobicContact CG2-CZ 4.45Å; V719-F731 HydrophobicContact CG1-CD1 4.3Å; S720-F731 CarbonylContact O-C 3.52Å; S720-F731 WeakPolarHBondContact O-CA 3.45Å; Y721-F731 HydrophobicContact CD1-CE1 4.43Å; Y721-F731 HydrophobicContact CG-CD1 4.49Å; Y721-F731 HydrophobicContact CG-CE1 4.18Å; I729-F731 HydrophobicContact CB-CE2 3.96Å; I729-F731 HydrophobicContact CG2-CD2 4.09Å; I729-F731 HydrophobicContact CG2-CE1 4.48Å; I729-F731 HydrophobicContact CG2-CE2 3.49Å; I729-F731 VanDerWaalsContact CG2-CE2 3.49Å; I729-F731 HydrophobicContact CG2-CZ 3.72Å; F731-I751 HydrophobicContact CD1-CG2 4.23Å; F731-I751 HydrophobicContact CE1-CG2 3.97Å; F731-I751 HydrophobicContact CE2-CG2 4.37Å; F731-I751 HydrophobicContact CZ-CG2 4.05Å |
| 732 | H | 98 | Very high | 95.3 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.014 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 112.6 | 170.4 | -59.5 | -93.4 | 0 | 0 | 0 | 107.8 | F255 S548 S705 G707 V719 S720 H730 | F255-H732 AromaticContact CE2-ND1 3.96Å; F255-H732 AromaticContact CZ-ND1 3.82Å; S548-H732 PolarHBondContact OG-CE1 3.5Å; S548-H732 PolarHBondContact OG-ND1 3.14Å; S705-H732 PolarHBondContact O-NE2 2.86Å; G707-H732 PolarHBondContact O-CD2 3.48Å; G707-H732 VanDerWaalsContact O-CD2 3.25Å; V719-H732 CarbonylContact C-O 3.57Å; V719-H732 VanDerWaalsContact CA-O 3.3Å; V719-H732 WeakPolarHBondContact CA-O 3.38Å; S720-H732 PolarHBondContact N-O 3.16Å; S720-H732 PolarHBondContact O-N 2.97Å; H730-H732 AromaticContact CD2-CE1 3.92Å; H730-H732 AromaticContact CD2-NE2 3.56Å; H730-H732 AromaticContact NE2-CE1 3.92Å; H730-H732 AromaticContact NE2-NE2 4Å |
| 733 | V | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.9 | 179.7 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | F546 H547 F549 Y717 G718 V719 F747 I751 | F546-V733 CarbonylContact C-O 3.37Å; F546-V733 WeakPolarHBondContact CA-O 3.48Å; H547-V733 HydrophobicContact CB-CB 4.43Å; H547-V733 PolarHBondContact N-O 3.08Å; H547-V733 PolarHBondContact O-N 3.29Å; F549-V733 HydrophobicContact CE1-CG2 4.19Å; Y717-V733 HydrophobicContact CD1-CG1 4.15Å; G718-V733 CarbonylContact O-C 3.46Å; G718-V733 WeakPolarHBondContact O-CA 3.4Å; V719-V733 HydrophobicContact CG1-CG2 4.49Å; V719-V733 HydrophobicContact CG2-CG1 4.49Å; V719-V733 HydrophobicContact CG2-CG2 4.49Å; V733-F747 HydrophobicContact CG1-CD1 3.71Å; V733-F747 HydrophobicContact CG1-CE1 4.48Å; V733-I751 HydrophobicContact CG2-CD1 3.85Å |
| 734 | S | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 149.1 | 174.4 | 63.4 | 0 | 0 | 0 | 0 | 111.7 | D545 F546 F709 G710 P711 Y717 G718 | D545-S734 VanDerWaalsContact O-CA 3.23Å; D545-S734 WeakPolarHBondContact O-CA 3.34Å; F546-S734 VanDerWaalsContact CE1-CB 3.48Å; F709-S734 WeakPolarHBondContact O-CB 3.27Å; F709-S734 PolarHBondContact O-OG 2.89Å; G710-S734 VanDerWaalsContact C-OG 3.23Å; G710-S734 WeakPolarHBondContact CA-OG 3.42Å; P711-S734 WeakPolarHBondContact CD-OG 3.41Å; Y717-S734 CarbonylContact C-O 3.43Å; Y717-S734 VanDerWaalsContact CA-O 3.27Å; Y717-S734 WeakPolarHBondContact CA-O 3.49Å; G718-S734 PolarHBondContact N-O 3.46Å; G718-S734 PolarHBondContact O-N 3.3Å; G718-S734 PolarHBondContact O-OG 3.44Å |
| 735 | S | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | -176.1 | 174.6 | 60.4 | 0 | 0 | 0 | 0 | 111 | D545 S744 | D545-S735 PolarHBondContact N-O 2.92Å; D545-S735 PolarHBondContact O-N 3.44Å; D545-S735 VanDerWaalsContact O-N 3.11Å; S735-S744 PolarHBondContact N-OG 3.3Å; S735-S744 PolarHBondContact OG-N 3.39Å; S735-S744 PolarHBondContact OG-OG 3.42Å |
| 736 | K | 97.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.017 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.3 | 175.8 | -62.5 | -50.6 | -147.5 | 121.8 | 0 | 111.4 | D543 V544 P711 S738 C739 T742 | D543-K736 CarbonylContact O-C 3.43Å; D543-K736 VanDerWaalsContact O-CA 3.3Å; D543-K736 WeakPolarHBondContact O-CA 3.43Å; D543-K736 WeakPolarHBondContact OD2-CD 3.38Å; D543-K736 IonicContact OD2-NZ 3.2Å; D543-K736 PolarHBondContact OD2-NZ 3.24Å; V544-K736 HydrophobicContact CG2-CD 4.2Å; P711-K736 HydrophobicContact CG-CD 3.75Å; P711-K736 HydrophobicContact CG-CG 3.93Å; K736-S738 PolarHBondContact O-N 3.48Å; K736-C739 HydrophobicContact CB-CB 4.48Å; K736-C739 PolarHBondContact O-N 3.28Å; K736-C739 VanDerWaalsContact O-N 3.16Å; K736-T742 PolarHBondContact O-OG1 2.56Å; K736-T742 VanDerWaalsContact O-OG1 3.14Å |
| 737 | I | 97.8 | Very high | 97 | Very high | 102 Ų | 102 | 36.1 Ų | 36.1 | 52% | 0.523 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -34.2 | 176.6 | -61.5 | -178.4 | 0 | 0 | 0 | 110.4 | D542 D543 D545 C739 | D542-I737 WeakPolarHBondContact O-CD1 3.38Å; D543-I737 PolarHBondContact O-N 2.91Å; D543-I737 PolarHBondContact OD1-N 3.41Å; D545-I737 HydrophobicContact CB-CG1 3.84Å; I737-C739 PolarHBondContact O-N 3.1Å; I737-C739 VanDerWaalsContact O-N 3.16Å |
| 738 | S | 97.3 | Very high | 97.3 | Very high | 88 Ų | 88 | 31.1 Ų | 31.1 | 62% | 0.615 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.7 | 176.6 | 65.4 | 0 | 0 | 0 | 0 | 114.1 | D543 K736 | D543-S738 WeakPolarHBondContact OD1-CB 3.33Å; D543-S738 PolarHBondContact OD1-N 3.14Å; D543-S738 PolarHBondContact OD1-OG 2.93Å; K736-S738 PolarHBondContact O-N 3.48Å |
| 739 | C | 97.2 | Very high | 97.6 | Very high | 19 Ų | 19 | 36.5 Ų | 36.5 | 13% | 0.128 | 19% | 0.194 | C | C | . | . | trans | -95.4 | 107.5 | 178.7 | 178.2 | 0 | 0 | 0 | 0 | 110.5 | D714 K736 I737 E741 T742 | D714-C739 VanDerWaalsContact O-CB 3.3Å; D714-C739 WeakPolarHBondContact O-CB 3.49Å; K736-C739 HydrophobicContact CB-CB 4.48Å; K736-C739 PolarHBondContact O-N 3.28Å; K736-C739 VanDerWaalsContact O-N 3.16Å; I737-C739 PolarHBondContact O-N 3.1Å; I737-C739 VanDerWaalsContact O-N 3.16Å; C739-E741 PolarHBondContact O-N 2.97Å; C739-E741 VanDerWaalsContact O-N 3.15Å; C739-T742 WeakPolarHBondContact CB-OG1 3.28Å; C739-T742 PolarHBondContact O-N 3.4Å; C739-T742 VanDerWaalsContact O-N 3.1Å; C739-T742 PolarHBondContact O-OG1 2.81Å | ||
| 740 | S | 95.6 | Very high | 97.7 | Very high | 118 Ų | 118 | 37.8 Ų | 37.8 | 83% | 0.825 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -17.2 | 178.9 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 741 | E | 95.6 | Very high | 97.9 | Very high | 93 Ų | 93 | 37.8 Ų | 37.8 | 44% | 0.435 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -24.5 | 175.8 | -70.1 | -175.6 | -132 | 0 | 0 | 112.1 | M582 K584 C739 R746 | M582-E741 HydrophobicContact CE-CB 4.21Å; M582-E741 WeakPolarHBondContact CE-O 3.43Å; M582-E741 HydrophobicContact SD-CB 4.08Å; K584-E741 IonicContact NZ-OE2 3.27Å; K584-E741 PolarHBondContact NZ-OE2 3.25Å; C739-E741 PolarHBondContact O-N 2.97Å; C739-E741 VanDerWaalsContact O-N 3.15Å; E741-R746 PolarHBondContact O-NH2 2.94Å |
| 742 | T | 97.5 | Very high | 97.9 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 7% | 0.067 | 22% | 0.215 | C | C | . | . | trans | -103.9 | 143.5 | -176.6 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | M582 Y717 K736 C739 | M582-T742 HydrophobicContact CE-CG2 3.4Å; Y717-T742 HydrophobicContact CD2-CG2 4.47Å; Y717-T742 HydrophobicContact CE1-CG2 4.16Å; Y717-T742 HydrophobicContact CE2-CG2 4.08Å; Y717-T742 WeakPolarHBondContact OH-CA 3.28Å; K736-T742 PolarHBondContact O-OG1 2.56Å; K736-T742 VanDerWaalsContact O-OG1 3.14Å; C739-T742 WeakPolarHBondContact CB-OG1 3.28Å; C739-T742 PolarHBondContact O-N 3.4Å; C739-T742 VanDerWaalsContact O-N 3.1Å; C739-T742 PolarHBondContact O-OG1 2.81Å | ||
| 743 | D | 98.2 | Very high | 98 | Very high | 61 Ų | 61 | 47.7 Ų | 47.7 | 33% | 0.326 | 24% | 0.241 | S | C | . | . | trans | -153.9 | 117.1 | 173.1 | 177.1 | -43.5 | 0 | 0 | 0 | 109.2 | Y717 H745 R746 F747 | Y717-D743 PolarHBondContact OH-N 2.85Å; Y717-D743 PolarHBondContact OH-O 3.26Å; D743-H745 VanDerWaalsContact C-N 3.31Å; D743-H745 PolarHBondContact O-N 2.67Å; D743-H745 WeakPolarHBondContact OD1-CA 3.41Å; D743-H745 WeakPolarHBondContact OD1-CB 3.36Å; D743-H745 PolarHBondContact OD1-N 3.23Å; D743-R746 HydrophobicContact CB-CB 3.77Å; D743-R746 PolarHBondContact O-N 3.43Å; D743-R746 WeakPolarHBondContact OD1-CB 3.48Å; D743-R746 PolarHBondContact OD1-N 3.25Å; D743-F747 VanDerWaalsContact O-CB 3.27Å; D743-F747 WeakPolarHBondContact O-CB 3.24Å; D743-F747 PolarHBondContact O-N 2.84Å | ||
| 744 | S | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.3 | -32.6 | -171.6 | -40.6 | 0 | 0 | 0 | 0 | 112.2 | D545 H547 S735 G748 | D545-S744 WeakPolarHBondContact CB-OG 3.27Å; D545-S744 PolarHBondContact O-OG 2.83Å; D545-S744 WeakPolarHBondContact OD2-CB 3.13Å; D545-S744 PolarHBondContact OD2-N 3.31Å; D545-S744 PolarHBondContact OD2-OG 3.41Å; H547-S744 WeakPolarHBondContact CB-O 3.46Å; S735-S744 PolarHBondContact N-OG 3.3Å; S735-S744 PolarHBondContact OG-N 3.39Å; S735-S744 PolarHBondContact OG-OG 3.42Å; S744-G748 PolarHBondContact O-N 3.47Å |
| 745 | H | 98 | Very high | 98 | Very high | 55 Ų | 55 | 47.7 Ų | 47.7 | 26% | 0.255 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -74.6 | -45.5 | 179.7 | -74.4 | 72.6 | 0 | 0 | 0 | 111.2 | D437 F546 H547 D743 F747 G748 K749 | D437-H745 IonicContact OD2-CE1 2.79Å; D437-H745 PolarHBondContact OD2-CE1 2.85Å; D437-H745 VanDerWaalsContact OD2-CE1 3.25Å; D437-H745 IonicContact OD2-NE2 2.74Å; D437-H745 PolarHBondContact OD2-NE2 3.01Å; F546-H745 PolarHBondContact O-CE1 2.87Å; H547-H745 AromaticContact CE1-CD2 3.66Å; H547-H745 AromaticContact CG-CD2 3.9Å; H547-H745 AromaticContact CG-CG 3.92Å; H547-H745 AromaticContact ND1-CD2 3.2Å; H547-H745 PolarHBondContact ND1-CD2 3.36Å; H547-H745 AromaticContact ND1-CE1 3.78Å; H547-H745 AromaticContact ND1-CG 3.69Å; H547-H745 AromaticContact ND1-NE2 3.29Å; H547-H745 PolarHBondContact ND1-NE2 3.37Å; D743-H745 VanDerWaalsContact C-N 3.31Å; D743-H745 PolarHBondContact O-N 2.67Å; D743-H745 WeakPolarHBondContact OD1-CA 3.41Å; D743-H745 WeakPolarHBondContact OD1-CB 3.36Å; D743-H745 PolarHBondContact OD1-N 3.23Å; H745-F747 VanDerWaalsContact C-N 3.33Å; H745-G748 PolarHBondContact O-N 2.96Å; H745-K749 WeakPolarHBondContact O-CG 3.39Å; H745-K749 PolarHBondContact O-N 3.02Å |
| 746 | R | 98.2 | Very high | 98 | Very high | 92 Ų | 92 | 50.6 Ų | 50.6 | 35% | 0.347 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.1 | -46 | 174.1 | -170.8 | -176.2 | 72.6 | -155 | 0.6 | 110.4 | D581 E741 D743 K749 N750 | D581-R746 VanDerWaalsContact CG-NH2 3.35Å; D581-R746 IonicContact OD1-CZ 3.31Å; D581-R746 IonicContact OD1-NE 3.53Å; D581-R746 PolarHBondContact OD1-NE 3.01Å; D581-R746 IonicContact OD1-NH2 3.08Å; D581-R746 PolarHBondContact OD1-NH2 2.67Å; D581-R746 IonicContact OD2-CZ 2.7Å; D581-R746 IonicContact OD2-NE 3.67Å; D581-R746 IonicContact OD2-NH2 2.64Å; D581-R746 PolarHBondContact OD2-NH2 3.48Å; E741-R746 PolarHBondContact O-NH2 2.94Å; D743-R746 HydrophobicContact CB-CB 3.77Å; D743-R746 PolarHBondContact O-N 3.43Å; D743-R746 WeakPolarHBondContact OD1-CB 3.48Å; D743-R746 PolarHBondContact OD1-N 3.25Å; R746-K749 PolarHBondContact O-N 3.14Å; R746-N750 PolarHBondContact O-N 2.78Å; R746-N750 PolarHBondContact O-ND2 3.29Å |
| 747 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 177.9 | -172.7 | -137.4 | 0 | 0 | 0 | 111.8 | A577 H578 D581 L684 Y717 V719 V733 D743 H745 K749 N750 I751 | A577-F747 HydrophobicContact CB-CD2 4.3Å; A577-F747 HydrophobicContact CB-CE2 3.71Å; H578-F747 HydrophobicContact CB-CE2 4.02Å; H578-F747 HydrophobicContact CB-CZ 4.23Å; D581-F747 HydrophobicContact CB-CD2 4.08Å; L684-F747 HydrophobicContact CD1-CE1 3.94Å; L684-F747 HydrophobicContact CD1-CZ 4.01Å; Y717-F747 HydrophobicContact CD1-CB 4.32Å; Y717-F747 AromaticContact CD1-CD1 3.56Å; Y717-F747 HydrophobicContact CD1-CD1 3.56Å; Y717-F747 HydrophobicContact CD1-CE1 4.23Å; Y717-F747 HydrophobicContact CD1-CG 4.22Å; Y717-F747 AromaticContact CD2-CD1 3.78Å; Y717-F747 HydrophobicContact CD2-CD1 3.78Å; Y717-F747 AromaticContact CD2-CE1 3.87Å; Y717-F747 HydrophobicContact CD2-CE1 3.87Å; Y717-F747 HydrophobicContact CD2-CG 4.25Å; Y717-F747 HydrophobicContact CD2-CZ 4.43Å; Y717-F747 HydrophobicContact CE1-CB 3.72Å; Y717-F747 AromaticContact CE1-CD1 3.83Å; Y717-F747 HydrophobicContact CE1-CD1 3.83Å; Y717-F747 HydrophobicContact CE1-CG 4.01Å; Y717-F747 HydrophobicContact CE2-CB 4.3Å; Y717-F747 AromaticContact CE2-CD1 3.99Å; Y717-F747 HydrophobicContact CE2-CD1 3.99Å; Y717-F747 HydrophobicContact CE2-CD2 4.38Å; Y717-F747 HydrophobicContact CE2-CE1 4.41Å; Y717-F747 AromaticContact CE2-CG 3.98Å; Y717-F747 HydrophobicContact CE2-CG 3.98Å; Y717-F747 AromaticContact CG-CD1 3.54Å; Y717-F747 HydrophobicContact CG-CD1 3.54Å; Y717-F747 AromaticContact CG-CE1 3.75Å; Y717-F747 HydrophobicContact CG-CE1 3.75Å; Y717-F747 HydrophobicContact CG-CG 4.34Å; Y717-F747 AromaticContact CZ-CG 3.87Å; V719-F747 HydrophobicContact CG2-CD1 4.44Å; V719-F747 HydrophobicContact CG2-CE1 3.67Å; V733-F747 HydrophobicContact CG1-CD1 3.71Å; V733-F747 HydrophobicContact CG1-CE1 4.48Å; D743-F747 VanDerWaalsContact O-CB 3.27Å; D743-F747 WeakPolarHBondContact O-CB 3.24Å; D743-F747 PolarHBondContact O-N 2.84Å; H745-F747 VanDerWaalsContact C-N 3.33Å; F747-K749 PolarHBondContact O-N 3.01Å; F747-N750 CarbonylContact O-C 3.52Å; F747-N750 WeakPolarHBondContact O-CA 3.42Å; F747-N750 WeakPolarHBondContact O-CB 3.46Å; F747-N750 PolarHBondContact O-N 2.76Å; F747-N750 VanDerWaalsContact O-N 3.08Å; F747-I751 HydrophobicContact CD1-CD1 4.18Å; F747-I751 HydrophobicContact CD2-CG1 4.47Å; F747-I751 HydrophobicContact CE1-CD1 4.03Å; F747-I751 HydrophobicContact CE2-CG1 4.23Å; F747-I751 HydrophobicContact CZ-CD1 4.2Å; F747-I751 HydrophobicContact CZ-CG1 4.3Å; F747-I751 WeakPolarHBondContact O-CG1 3.29Å; F747-I751 PolarHBondContact O-N 3.26Å |
| 748 | G | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.1 | -46.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S744 H745 N750 I751 Q752 | S744-G748 PolarHBondContact O-N 3.47Å; H745-G748 PolarHBondContact O-N 2.96Å; G748-N750 VanDerWaalsContact C-N 3.32Å; G748-N750 PolarHBondContact O-N 3.44Å; G748-I751 WeakPolarHBondContact O-CB 3.36Å; G748-I751 PolarHBondContact O-N 2.65Å; G748-I751 VanDerWaalsContact O-N 3.13Å; G748-Q752 WeakPolarHBondContact O-CG 3.39Å; G748-Q752 PolarHBondContact O-N 2.97Å |
| 749 | K | 98.4 | Very high | 98 | Very high | 121 Ų | 121 | 44.1 Ų | 44.1 | 53% | 0.526 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.7 | -41.3 | 173.7 | -71 | 170.7 | -176.3 | 171.9 | 0 | 111.9 | H745 R746 F747 I751 Q752 R753 | H745-K749 WeakPolarHBondContact O-CG 3.39Å; H745-K749 PolarHBondContact O-N 3.02Å; R746-K749 PolarHBondContact O-N 3.14Å; F747-K749 PolarHBondContact O-N 3.01Å; K749-I751 VanDerWaalsContact C-N 3.32Å; K749-I751 PolarHBondContact O-N 2.69Å; K749-Q752 PolarHBondContact O-N 3.34Å; K749-R753 WeakPolarHBondContact O-CB 3.22Å; K749-R753 PolarHBondContact O-N 3.39Å |
| 750 | N | 98.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 45 Ų | 45 | 14% | 0.139 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -36.2 | 174.9 | -80.2 | -34.2 | 0 | 0 | 0 | 112.2 | A577 D581 R746 F747 G748 A754 | A577-N750 HydrophobicContact CB-CB 4.02Å; D581-N750 PolarHBondContact OD1-ND2 2.95Å; R746-N750 PolarHBondContact O-N 2.78Å; R746-N750 PolarHBondContact O-ND2 3.29Å; F747-N750 CarbonylContact O-C 3.52Å; F747-N750 WeakPolarHBondContact O-CA 3.42Å; F747-N750 WeakPolarHBondContact O-CB 3.46Å; F747-N750 PolarHBondContact O-N 2.76Å; F747-N750 VanDerWaalsContact O-N 3.08Å; G748-N750 VanDerWaalsContact C-N 3.32Å; G748-N750 PolarHBondContact O-N 3.44Å; N750-A754 WeakPolarHBondContact O-CB 3.5Å; N750-A754 PolarHBondContact O-N 3.04Å |
| 751 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.2 | -51.7 | 173.2 | -65.5 | 169.1 | 0 | 0 | 0 | 110.4 | F549 L574 A577 F731 V733 F747 G748 K749 R753 A754 M755 | F549-I751 HydrophobicContact CZ-CB 4.39Å; F549-I751 HydrophobicContact CZ-CG2 4.34Å; L574-I751 HydrophobicContact CD2-CD1 3.6Å; L574-I751 HydrophobicContact CD2-CG1 3.74Å; L574-I751 HydrophobicContact CD2-CG2 4.19Å; A577-I751 HydrophobicContact CB-CB 4.46Å; A577-I751 HydrophobicContact CB-CG1 3.85Å; F731-I751 HydrophobicContact CD1-CG2 4.23Å; F731-I751 HydrophobicContact CE1-CG2 3.97Å; F731-I751 HydrophobicContact CE2-CG2 4.37Å; F731-I751 HydrophobicContact CZ-CG2 4.05Å; V733-I751 HydrophobicContact CG2-CD1 3.85Å; F747-I751 HydrophobicContact CD1-CD1 4.18Å; F747-I751 HydrophobicContact CD2-CG1 4.47Å; F747-I751 HydrophobicContact CE1-CD1 4.03Å; F747-I751 HydrophobicContact CE2-CG1 4.23Å; F747-I751 HydrophobicContact CZ-CD1 4.2Å; F747-I751 HydrophobicContact CZ-CG1 4.3Å; F747-I751 WeakPolarHBondContact O-CG1 3.29Å; F747-I751 PolarHBondContact O-N 3.26Å; G748-I751 WeakPolarHBondContact O-CB 3.36Å; G748-I751 PolarHBondContact O-N 2.65Å; G748-I751 VanDerWaalsContact O-N 3.13Å; K749-I751 VanDerWaalsContact C-N 3.32Å; K749-I751 PolarHBondContact O-N 2.69Å; I751-R753 VanDerWaalsContact C-N 3.29Å; I751-R753 PolarHBondContact O-N 3.1Å; I751-A754 PolarHBondContact O-N 3.48Å; I751-M755 HydrophobicContact CG2-CG 4.32Å; I751-M755 WeakPolarHBondContact O-CB 3.38Å; I751-M755 VanDerWaalsContact O-CG 3.24Å; I751-M755 WeakPolarHBondContact O-CG 2.81Å; I751-M755 PolarHBondContact O-N 2.87Å |
| 752 | Q | 98.6 | Very high | 97.6 | Very high | 62 Ų | 62 | 37 Ų | 37 | 29% | 0.29 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -57.5 | -42.8 | 178.9 | -67.4 | 176 | -44.2 | 0 | 0 | 112 | F549 F551 G748 K749 T756 | F549-Q752 HydrophobicContact CD2-CG 4.05Å; F549-Q752 HydrophobicContact CE2-CG 3.42Å; F549-Q752 VanDerWaalsContact CE2-CG 3.42Å; F549-Q752 HydrophobicContact CZ-CG 4.01Å; F551-Q752 HydrophobicContact CD2-CB 4.44Å; F551-Q752 HydrophobicContact CD2-CG 4.2Å; G748-Q752 WeakPolarHBondContact O-CG 3.39Å; G748-Q752 PolarHBondContact O-N 2.97Å; K749-Q752 PolarHBondContact O-N 3.34Å; Q752-T756 PolarHBondContact O-N 3.21Å; Q752-T756 VanDerWaalsContact O-N 3.16Å; Q752-T756 PolarHBondContact O-OG1 2.92Å; Q752-T756 VanDerWaalsContact O-OG1 3.05Å |
| 753 | R | 98.6 | Very high | 96.5 | Very high | 150 Ų | 150 | 40.2 Ų | 40.2 | 57% | 0.566 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -65.3 | -47.3 | 176.3 | -173.2 | -179.1 | 174.4 | 179.7 | 0.3 | 111.7 | K749 I751 M755 T756 D757 | K749-R753 WeakPolarHBondContact O-CB 3.22Å; K749-R753 PolarHBondContact O-N 3.39Å; I751-R753 VanDerWaalsContact C-N 3.29Å; I751-R753 PolarHBondContact O-N 3.1Å; R753-M755 VanDerWaalsContact C-N 3.35Å; R753-M755 PolarHBondContact O-N 2.95Å; R753-T756 PolarHBondContact O-N 3.15Å; R753-D757 IonicContact NE-OD2 2.79Å; R753-D757 WeakPolarHBondContact O-CB 3.36Å; R753-D757 VanDerWaalsContact O-CG 3.22Å; R753-D757 PolarHBondContact O-N 3.38Å |
| 754 | A | 98.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.6 | -44.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | A573 L576 A577 N750 I751 T756 D757 I758 | A573-A754 HydrophobicContact CB-CB 4.21Å; A573-A754 WeakPolarHBondContact O-CB 3.1Å; L576-A754 HydrophobicContact CB-CB 4.13Å; L576-A754 HydrophobicContact CD2-CB 3.96Å; L576-A754 HydrophobicContact CG-CB 4.05Å; A577-A754 HydrophobicContact CB-CB 4.06Å; N750-A754 WeakPolarHBondContact O-CB 3.5Å; N750-A754 PolarHBondContact O-N 3.04Å; I751-A754 PolarHBondContact O-N 3.48Å; A754-T756 VanDerWaalsContact C-N 3.34Å; A754-T756 PolarHBondContact O-N 3.31Å; A754-D757 PolarHBondContact O-N 3.17Å; A754-I758 WeakPolarHBondContact O-CB 3.36Å; A754-I758 WeakPolarHBondContact O-CG1 3.45Å; A754-I758 PolarHBondContact O-N 3.45Å |
| 755 | M | 98.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.3 | -49.6 | 175.6 | -70.6 | -70.3 | -73 | 0 | 0 | 111.4 | F551 F554 I559 F569 V570 A573 I729 I751 R753 M759 | F551-M755 HydrophobicContact CD1-CE 4.41Å; F551-M755 HydrophobicContact CE1-CB 4.34Å; F551-M755 HydrophobicContact CE1-CE 4.15Å; F551-M755 HydrophobicContact CE2-CB 3.98Å; F551-M755 HydrophobicContact CZ-CB 3.74Å; F554-M755 HydrophobicContact CE2-CE 3.82Å; F554-M755 HydrophobicContact CZ-CB 4.05Å; F554-M755 HydrophobicContact CZ-CE 4.16Å; F554-M755 WeakPolarHBondContact CZ-O 3.29Å; I559-M755 HydrophobicContact CD1-CE 4.49Å; F569-M755 HydrophobicContact CD1-CE 4.01Å; F569-M755 HydrophobicContact CD1-SD 3.83Å; F569-M755 HydrophobicContact CE1-CE 3.87Å; F569-M755 HydrophobicContact CE1-SD 3.68Å; V570-M755 HydrophobicContact CG2-CE 4.08Å; V570-M755 HydrophobicContact CG2-SD 4.27Å; A573-M755 HydrophobicContact CB-CG 3.96Å; A573-M755 HydrophobicContact CB-SD 3.43Å; A573-M755 WeakPolarHBondContact CB-SD 3.49Å; I729-M755 HydrophobicContact CD1-CE 3.76Å; I751-M755 HydrophobicContact CG2-CG 4.32Å; I751-M755 WeakPolarHBondContact O-CB 3.38Å; I751-M755 VanDerWaalsContact O-CG 3.24Å; I751-M755 WeakPolarHBondContact O-CG 2.81Å; I751-M755 PolarHBondContact O-N 2.87Å; R753-M755 VanDerWaalsContact C-N 3.35Å; R753-M755 PolarHBondContact O-N 2.95Å; M755-M759 PolarHBondContact O-N 3.23Å; M755-M759 VanDerWaalsContact O-N 3.16Å |
| 756 | T | 98.3 | Very high | 89.6 | Confident | 61 Ų | 61 | 54.6 Ų | 54.6 | 37% | 0.374 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.9 | -44 | -179.3 | -56.8 | 0 | 0 | 0 | 0 | 112.6 | Q752 R753 A754 I758 M759 A760 | Q752-T756 PolarHBondContact O-N 3.21Å; Q752-T756 VanDerWaalsContact O-N 3.16Å; Q752-T756 PolarHBondContact O-OG1 2.92Å; Q752-T756 VanDerWaalsContact O-OG1 3.05Å; R753-T756 PolarHBondContact O-N 3.15Å; A754-T756 VanDerWaalsContact C-N 3.34Å; A754-T756 PolarHBondContact O-N 3.31Å; T756-I758 PolarHBondContact O-N 2.92Å; T756-M759 PolarHBondContact O-N 3.02Å; T756-A760 PolarHBondContact O-N 3.07Å |
| 757 | D | 98 | Very high | 86.8 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 25% | 0.246 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63 | -43 | -179.8 | -72.8 | -12.8 | 0 | 0 | 0 | 111.8 | R580 M619 R753 A754 M759 A760 | R580-D757 IonicContact CZ-OD2 3.42Å; R580-D757 IonicContact NH1-OD2 3.22Å; R580-D757 PolarHBondContact NH1-OD2 2.6Å; R580-D757 IonicContact NH2-OD2 2.75Å; R580-D757 PolarHBondContact NH2-OD2 2.95Å; M619-D757 HydrophobicContact CE-CB 3.95Å; R753-D757 IonicContact NE-OD2 2.79Å; R753-D757 WeakPolarHBondContact O-CB 3.36Å; R753-D757 VanDerWaalsContact O-CG 3.22Å; R753-D757 PolarHBondContact O-N 3.38Å; A754-D757 PolarHBondContact O-N 3.17Å; D757-M759 VanDerWaalsContact C-N 3.32Å; D757-M759 PolarHBondContact O-N 3.23Å; D757-A760 WeakPolarHBondContact O-CB 3.39Å; D757-A760 PolarHBondContact O-N 3.17Å |
| 758 | I | 97.9 | Very high | 83.8 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.4 | -41.4 | 176.2 | -64.5 | 178.3 | 0 | 0 | 0 | 110.3 | F569 A573 L576 F615 M619 L633 A754 T756 A760 L761 F762 | F569-I758 HydrophobicContact CD2-CG2 4.11Å; F569-I758 HydrophobicContact CE1-CB 4.46Å; F569-I758 HydrophobicContact CE1-CG2 4.33Å; F569-I758 HydrophobicContact CE2-CB 4.2Å; F569-I758 HydrophobicContact CE2-CG2 3.37Å; F569-I758 HydrophobicContact CZ-CB 3.79Å; F569-I758 HydrophobicContact CZ-CG2 3.49Å; F569-I758 VanDerWaalsContact CZ-CG2 3.49Å; A573-I758 HydrophobicContact CB-CD1 3.92Å; L576-I758 HydrophobicContact CD2-CD1 4.11Å; L576-I758 HydrophobicContact CD2-CG1 3.96Å; F615-I758 HydrophobicContact CE1-CD1 4.04Å; F615-I758 HydrophobicContact CZ-CD1 3.83Å; F615-I758 HydrophobicContact CZ-CG1 3.9Å; M619-I758 HydrophobicContact CE-CG1 4.46Å; L633-I758 HydrophobicContact CD1-CG2 3.93Å; L633-I758 HydrophobicContact CD2-CG2 3.71Å; A754-I758 WeakPolarHBondContact O-CB 3.36Å; A754-I758 WeakPolarHBondContact O-CG1 3.45Å; A754-I758 PolarHBondContact O-N 3.45Å; T756-I758 PolarHBondContact O-N 2.92Å; I758-A760 VanDerWaalsContact C-N 3.31Å; I758-A760 PolarHBondContact O-N 3.3Å; I758-L761 WeakPolarHBondContact O-CB 3.44Å; I758-L761 PolarHBondContact O-N 2.95Å; I758-F762 WeakPolarHBondContact O-CD2 3.45Å |
| 759 | M | 97.1 | Very high | 80.8 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 5% | 0.054 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.9 | -34 | 177.7 | -169.3 | 57.2 | 70.9 | 0 | 0 | 112.3 | F554 L558 I559 T562 F569 M755 T756 D757 L761 F762 | F554-M759 HydrophobicContact CD1-CB 4.48Å; F554-M759 HydrophobicContact CD1-CE 4.43Å; F554-M759 HydrophobicContact CD1-CG 4.21Å; F554-M759 HydrophobicContact CD2-CE 3.71Å; F554-M759 HydrophobicContact CE1-CB 3.69Å; F554-M759 HydrophobicContact CE1-CE 4.24Å; F554-M759 HydrophobicContact CE1-CG 3.91Å; F554-M759 HydrophobicContact CE2-CE 3.49Å; F554-M759 VanDerWaalsContact CE2-CE 3.49Å; F554-M759 HydrophobicContact CG-CE 4.19Å; F554-M759 HydrophobicContact CZ-CB 3.82Å; F554-M759 HydrophobicContact CZ-CE 3.78Å; F554-M759 HydrophobicContact CZ-CG 4.22Å; L558-M759 HydrophobicContact CB-CE 4.26Å; L558-M759 HydrophobicContact CD2-CE 3.93Å; L558-M759 HydrophobicContact CD2-CG 3.78Å; L558-M759 HydrophobicContact CD2-SD 3.69Å; L558-M759 HydrophobicContact CG-CE 3.8Å; L558-M759 HydrophobicContact CG-CG 4.45Å; L558-M759 HydrophobicContact CG-SD 3.69Å; I559-M759 HydrophobicContact CG1-CE 3.85Å; T562-M759 HydrophobicContact CG2-CE 4.35Å; T562-M759 HydrophobicContact CG2-SD 3.88Å; F569-M759 HydrophobicContact CE2-CE 4.03Å; F569-M759 HydrophobicContact CZ-CB 4.36Å; F569-M759 HydrophobicContact CZ-CE 3.87Å; M755-M759 PolarHBondContact O-N 3.23Å; M755-M759 VanDerWaalsContact O-N 3.16Å; T756-M759 PolarHBondContact O-N 3.02Å; D757-M759 VanDerWaalsContact C-N 3.32Å; D757-M759 PolarHBondContact O-N 3.23Å; M759-L761 VanDerWaalsContact C-N 3.25Å; M759-L761 PolarHBondContact O-N 2.87Å; M759-F762 PolarHBondContact O-N 2.79Å; M759-F762 VanDerWaalsContact O-N 3.15Å |
| 760 | A | 95.9 | Very high | 77.6 | Confident | 38 Ų | 38 | 76.2 Ų | 76.2 | 31% | 0.314 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.4 | -29.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T756 D757 I758 F762 S763 R764 | T756-A760 PolarHBondContact O-N 3.07Å; D757-A760 WeakPolarHBondContact O-CB 3.39Å; D757-A760 PolarHBondContact O-N 3.17Å; I758-A760 VanDerWaalsContact C-N 3.31Å; I758-A760 PolarHBondContact O-N 3.3Å; A760-F762 PolarHBondContact O-N 2.93Å; A760-S763 PolarHBondContact O-N 3.44Å; A760-S763 VanDerWaalsContact O-N 3.16Å; A760-R764 PolarHBondContact O-N 2.96Å |
| 761 | L | 94.9 | Very high | 76.6 | Confident | 11 Ų | 11 | 78.8 Ų | 78.8 | 6% | 0.058 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.2 | -36.3 | 174.6 | -64.7 | 179.3 | 0 | 0 | 0 | 112.5 | M619 N626 K629 L633 I758 M759 | M619-L761 HydrophobicContact SD-CD1 3.71Å; M619-L761 HydrophobicContact SD-CD2 4.18Å; M619-L761 HydrophobicContact SD-CG 4.24Å; N626-L761 HydrophobicContact CB-CD2 4.42Å; K629-L761 HydrophobicContact CB-CD1 4.12Å; K629-L761 HydrophobicContact CB-CD2 4.06Å; K629-L761 HydrophobicContact CD-CD2 4.21Å; L633-L761 HydrophobicContact CD2-CD1 4.37Å; I758-L761 WeakPolarHBondContact O-CB 3.44Å; I758-L761 PolarHBondContact O-N 2.95Å; M759-L761 VanDerWaalsContact C-N 3.25Å; M759-L761 PolarHBondContact O-N 2.87Å |
| 762 | F | 90.6 | Very high | 75.4 | Confident | 31 Ų | 31 | 82.9 Ų | 82.9 | 14% | 0.136 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -80.9 | -24.7 | -178.1 | -63.2 | -85.8 | 0 | 0 | 0 | 113.2 | T562 F569 L630 L633 I758 M759 A760 | T562-F762 VanDerWaalsContact CB-CE1 3.44Å; T562-F762 HydrophobicContact CG2-CB 4.18Å; T562-F762 HydrophobicContact CG2-CD1 3.85Å; T562-F762 HydrophobicContact CG2-CD2 3.72Å; T562-F762 HydrophobicContact CG2-CE1 4.08Å; T562-F762 HydrophobicContact CG2-CE2 3.98Å; T562-F762 HydrophobicContact CG2-CG 3.64Å; T562-F762 HydrophobicContact CG2-CZ 4.14Å; F569-F762 HydrophobicContact CE2-CE2 4.41Å; L630-F762 HydrophobicContact CD1-CD1 3.77Å; L630-F762 HydrophobicContact CD1-CE1 3.22Å; L630-F762 HydrophobicContact CD1-CE2 4.2Å; L630-F762 HydrophobicContact CD1-CG 4.47Å; L630-F762 HydrophobicContact CD1-CZ 3.48Å; L630-F762 VanDerWaalsContact CD1-CZ 3.48Å; L633-F762 HydrophobicContact CD2-CE2 3.47Å; L633-F762 VanDerWaalsContact CD2-CE2 3.47Å; L633-F762 HydrophobicContact CD2-CZ 3.43Å; L633-F762 VanDerWaalsContact CD2-CZ 3.43Å; I758-F762 WeakPolarHBondContact O-CD2 3.45Å; M759-F762 PolarHBondContact O-N 2.79Å; M759-F762 VanDerWaalsContact O-N 3.15Å; A760-F762 PolarHBondContact O-N 2.93Å |
| 763 | S | 73.1 | Confident | 74.1 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 56% | 0.559 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -78 | -34 | -178.1 | -60.1 | 0 | 0 | 0 | 0 | 112 | A760 | A760-S763 PolarHBondContact O-N 3.44Å; A760-S763 VanDerWaalsContact O-N 3.16Å |
| 764 | R | 57.1 | Low | 72.7 | Confident | 173 Ų | 173 | 80.2 Ų | 80.2 | 65% | 0.653 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -78.9 | -20.6 | -179.7 | -68.1 | -178.4 | 175.9 | -178.8 | -1.5 | 114 | A760 K766 N767 | A760-R764 PolarHBondContact O-N 2.96Å; R764-K766 VanDerWaalsContact C-N 3.25Å; R764-K766 PolarHBondContact O-N 3.46Å; R764-N767 PolarHBondContact O-N 3.13Å |
| 765 | S | 49.3 | Very low | 71.1 | Confident | 72 Ų | 72 | 85.2 Ų | 85.2 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -66.3 | -20.2 | 178 | 165.8 | 0 | 0 | 0 | 0 | 114.2 | N767 | S765-N767 VanDerWaalsContact C-N 3.32Å; S765-N767 PolarHBondContact O-N 3.06Å |
| 766 | K | 45.1 | Very low | 69.2 | Low | 173 Ų | 173 | 90.9 Ų | 90.9 | 75% | 0.752 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -75.1 | -15 | 180 | -76.4 | -172.2 | 177 | -178.5 | 0 | 114.7 | R764 | R764-K766 VanDerWaalsContact C-N 3.25Å; R764-K766 PolarHBondContact O-N 3.46Å |
| 767 | N | 37.9 | Very low | 67.2 | Low | 147 Ų | 147 | 93 Ų | 93 | 79% | 0.786 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -94.8 | 3.6 | -176.8 | -74.4 | -6.2 | 0 | 0 | 0 | 114.4 | R764 S765 | R764-N767 PolarHBondContact O-N 3.13Å; S765-N767 VanDerWaalsContact C-N 3.32Å; S765-N767 PolarHBondContact O-N 3.06Å |
| 768 | C | 35.4 | Very low | 64.8 | Low | 115 Ų | 115 | 96.6 Ų | 96.6 | 78% | 0.777 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -107.7 | 14.4 | -179.4 | -81.2 | 0 | 0 | 0 | 0 | 115.2 | ||
| 769 | T | 35.8 | Very low | 62 | Low | 125 Ų | 125 | 104.7 Ų | 104.7 | 77% | 0.767 | 55% | 0.548 | S | S | * | . | trans | -118.7 | 88.8 | 164 | 41.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 770 | K | 32.2 | Very low | 58.8 | Low | 280 Ų | 280 | 113.2 Ų | 113.2 | 100% | 1.217 | 59% | 0.593 | S | S | * | * | trans | -114.4 | 0 | 149.5 | -97.7 | -169.2 | 177 | -177.4 | 0 | 107.8 |
Retrieved 770 of 770 residues in 618.4 ms
(Link to these results)