| 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 | 53.6 | Low | 60.9 | Low | 211 Ų | 211 | 96.8 Ų | 96.8 | 100% | 1.039 | 60% | 0.595 | S | S | * | * | 0 | -84.4 | 0 | -59.9 | -49.3 | -104.3 | 0 | 0 | 111.5 | A3 A4 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.17Å; M1-A3 VanDerWaalsContact O-N 3.1Å; M1-A4 PolarHBondContact O-N 3.27Å | |||
| 2 | A | 52.7 | Low | 61.3 | Low | 75 Ų | 75 | 93.2 Ų | 93.2 | 62% | 0.62 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -52.2 | -39.3 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | A4 T5 T6 | A2-A4 VanDerWaalsContact C-N 3.26Å; A2-A4 PolarHBondContact O-N 3.05Å; A2-T5 PolarHBondContact O-N 3.34Å; A2-T5 PolarHBondContact O-OG1 2.95Å; A2-T6 PolarHBondContact O-N 3.04Å |
| 3 | A | 55 | Low | 61.4 | Low | 78 Ų | 78 | 102.2 Ų | 102.2 | 65% | 0.645 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.1 | -18.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115 | M1 T6 T7 | M1-A3 VanDerWaalsContact C-N 3.33Å; M1-A3 PolarHBondContact O-N 3.17Å; M1-A3 VanDerWaalsContact O-N 3.1Å; A3-T6 PolarHBondContact O-OG1 3.45Å; A3-T7 PolarHBondContact O-OG1 2.92Å |
| 4 | A | 57.5 | Low | 61.4 | Low | 57 Ų | 57 | 101.8 Ų | 101.8 | 47% | 0.471 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -88 | -23.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1 A2 T7 L8 | M1-A4 PolarHBondContact O-N 3.27Å; A2-A4 VanDerWaalsContact C-N 3.26Å; A2-A4 PolarHBondContact O-N 3.05Å; A4-T7 PolarHBondContact O-OG1 3.15Å; A4-L8 WeakPolarHBondContact O-CG 3.49Å |
| 5 | T | 65.5 | Low | 61.1 | Low | 84 Ų | 84 | 103.6 Ų | 103.6 | 52% | 0.515 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -79.1 | -30 | 177.1 | 38.1 | 0 | 0 | 0 | 0 | 112.8 | A2 L9 | A2-T5 PolarHBondContact O-N 3.34Å; A2-T5 PolarHBondContact O-OG1 2.95Å; T5-L9 WeakPolarHBondContact O-CG 3.13Å; T5-L9 PolarHBondContact O-N 2.68Å |
| 6 | T | 66 | Low | 60.9 | Low | 90 Ų | 90 | 110.9 Ų | 110.9 | 55% | 0.552 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -73.5 | -40.1 | 178 | 47.2 | 0 | 0 | 0 | 0 | 112.7 | A2 A3 L9 A10 | A2-T6 PolarHBondContact O-N 3.04Å; A3-T6 PolarHBondContact O-OG1 3.45Å; T6-L9 PolarHBondContact O-N 3.03Å; T6-A10 PolarHBondContact O-N 3.23Å |
| 7 | T | 63 | Low | 60.3 | Low | 80 Ų | 80 | 107.9 Ų | 107.9 | 49% | 0.491 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -66.9 | -39.8 | 178.1 | 49.9 | 0 | 0 | 0 | 0 | 112.6 | A3 A4 A10 L11 | A3-T7 PolarHBondContact O-OG1 2.92Å; A4-T7 PolarHBondContact O-OG1 3.15Å; T7-A10 PolarHBondContact O-N 2.77Å; T7-L11 WeakPolarHBondContact O-CG 3.36Å; T7-L11 PolarHBondContact O-N 2.99Å |
| 8 | L | 65.7 | Low | 59.7 | Low | 121 Ų | 121 | 108.9 Ų | 108.9 | 63% | 0.634 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.5 | -38.3 | 174.2 | -70.9 | 173 | 0 | 0 | 0 | 112.6 | A4 S12 | A4-L8 WeakPolarHBondContact O-CG 3.49Å; L8-S12 WeakPolarHBondContact O-CB 3.11Å; L8-S12 PolarHBondContact O-N 3.03Å |
| 9 | L | 65.7 | Low | 59.1 | Low | 110 Ų | 110 | 114.8 Ų | 114.8 | 58% | 0.576 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68 | -40.5 | 174.2 | -75.1 | 170 | 0 | 0 | 0 | 112 | T5 T6 S12 W13 | T5-L9 WeakPolarHBondContact O-CG 3.13Å; T5-L9 PolarHBondContact O-N 2.68Å; T6-L9 PolarHBondContact O-N 3.03Å; L9-S12 WeakPolarHBondContact O-CB 3.32Å; L9-S12 PolarHBondContact O-N 3.14Å; L9-W13 VanDerWaalsContact O-CD1 3.26Å; L9-W13 PolarHBondContact O-N 2.95Å |
| 10 | A | 62.4 | Low | 58.5 | Low | 57 Ų | 57 | 114.7 Ų | 114.7 | 47% | 0.471 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -61.4 | -45.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | T6 T7 S12 W13 V14 | T6-A10 PolarHBondContact O-N 3.23Å; T7-A10 PolarHBondContact O-N 2.77Å; A10-S12 VanDerWaalsContact C-N 3.34Å; A10-S12 PolarHBondContact O-N 2.9Å; A10-W13 PolarHBondContact O-N 3.36Å; A10-V14 WeakPolarHBondContact O-CG2 3.41Å; A10-V14 PolarHBondContact O-N 3.02Å |
| 11 | L | 62.9 | Low | 57.8 | Low | 102 Ų | 102 | 115.9 Ų | 115.9 | 53% | 0.534 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -61.8 | -40.2 | 175.1 | -73.3 | 167.1 | 0 | 0 | 0 | 112 | T7 W13 V14 L15 | T7-L11 WeakPolarHBondContact O-CG 3.36Å; T7-L11 PolarHBondContact O-N 2.99Å; L11-W13 VanDerWaalsContact C-N 3.3Å; L11-W13 PolarHBondContact O-N 3.37Å; L11-V14 PolarHBondContact O-N 3.24Å; L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.2Å; L11-L15 PolarHBondContact O-N 2.99Å |
| 12 | S | 65.5 | Low | 57.2 | Low | 53 Ų | 53 | 117 Ų | 117 | 37% | 0.371 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -60 | -38.7 | 174 | -173.2 | 0 | 0 | 0 | 0 | 112.6 | L8 L9 A10 W16 | L8-S12 WeakPolarHBondContact O-CB 3.11Å; L8-S12 PolarHBondContact O-N 3.03Å; L9-S12 WeakPolarHBondContact O-CB 3.32Å; L9-S12 PolarHBondContact O-N 3.14Å; A10-S12 VanDerWaalsContact C-N 3.34Å; A10-S12 PolarHBondContact O-N 2.9Å; S12-W16 PolarHBondContact O-N 3.41Å; S12-W16 VanDerWaalsContact O-N 3.17Å |
| 13 | W | 63.1 | Low | 56.9 | Low | 210 Ų | 210 | 116.8 Ų | 116.8 | 80% | 0.795 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -72.7 | -40 | 177.7 | -84.7 | 58.9 | 0 | 0 | 0 | 112.4 | L9 A10 L11 L15 W16 G17 | L9-W13 VanDerWaalsContact O-CD1 3.26Å; L9-W13 PolarHBondContact O-N 2.95Å; A10-W13 PolarHBondContact O-N 3.36Å; L11-W13 VanDerWaalsContact C-N 3.3Å; L11-W13 PolarHBondContact O-N 3.37Å; W13-L15 VanDerWaalsContact C-N 3.33Å; W13-L15 PolarHBondContact O-N 3.16Å; W13-W16 PolarHBondContact O-N 3.33Å; W13-G17 PolarHBondContact O-N 3.42Å |
| 14 | V | 61.2 | Low | 56.7 | Low | 97 Ų | 97 | 115.9 Ų | 115.9 | 59% | 0.588 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.4 | -42.8 | 174.3 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | A10 L11 W16 G17 | A10-V14 WeakPolarHBondContact O-CG2 3.41Å; A10-V14 PolarHBondContact O-N 3.02Å; L11-V14 PolarHBondContact O-N 3.24Å; V14-W16 VanDerWaalsContact C-N 3.3Å; V14-W16 PolarHBondContact O-N 3.42Å; V14-G17 PolarHBondContact O-N 3.4Å |
| 15 | L | 57.1 | Low | 56.7 | Low | 129 Ų | 129 | 117.1 Ų | 117.1 | 68% | 0.675 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.9 | -22.7 | 177.2 | -69.9 | 169.3 | 0 | 0 | 0 | 113.9 | L11 W13 | L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.2Å; L11-L15 PolarHBondContact O-N 2.99Å; W13-L15 VanDerWaalsContact C-N 3.33Å; W13-L15 PolarHBondContact O-N 3.16Å |
| 16 | W | 58.1 | Low | 56.4 | Low | 220 Ų | 220 | 114.1 Ų | 114.1 | 83% | 0.833 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -91.3 | -19.8 | 173.8 | -84.9 | 31.9 | 0 | 0 | 0 | 113.7 | S12 W13 V14 I18 | S12-W16 PolarHBondContact O-N 3.41Å; S12-W16 VanDerWaalsContact O-N 3.17Å; W13-W16 PolarHBondContact O-N 3.33Å; V14-W16 VanDerWaalsContact C-N 3.3Å; V14-W16 PolarHBondContact O-N 3.42Å; W16-I18 VanDerWaalsContact C-N 3.34Å |
| 17 | G | 49.8 | Very low | 56.4 | Low | 61 Ų | 61 | 114.1 Ų | 114.1 | 63% | 0.629 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.9 | -28.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | W13 V14 R19 | W13-G17 PolarHBondContact O-N 3.42Å; V14-G17 PolarHBondContact O-N 3.4Å; G17-R19 VanDerWaalsContact C-N 3.28Å; G17-R19 PolarHBondContact O-N 3.39Å |
| 18 | I | 50.6 | Low | 57.1 | Low | 125 Ų | 125 | 114.5 Ų | 114.5 | 64% | 0.641 | 59% | 0.591 | S | S | * | * | trans | -79 | 76.2 | 178.7 | -51.6 | 171.1 | 0 | 0 | 0 | 109.8 | W16 P20 | W16-I18 VanDerWaalsContact C-N 3.34Å; I18-P20 WeakPolarHBondContact O-CD 3.3Å | ||
| 19 | R | 47.8 | Very low | 58.1 | Low | 222 Ų | 222 | 108.9 Ų | 108.9 | 84% | 0.838 | 56% | 0.562 | S | S | * | * | trans | -67.6 | 118.3 | 160.8 | -73.1 | -174.2 | 175.5 | -172.4 | -0.5 | 108.2 | G17 T21 | G17-R19 VanDerWaalsContact C-N 3.28Å; G17-R19 PolarHBondContact O-N 3.39Å; R19-T21 PolarHBondContact O-N 2.93Å | ||
| 20 | P | 46.3 | Very low | 59.3 | Low | 111 Ų | 111 | 104.9 Ų | 104.9 | 72% | 0.721 | 54% | 0.541 | S | S | * | . | trans | -63.4 | 125.1 | 171.6 | 26.8 | -33 | 0 | 0 | 0 | 108.5 | I18 R22 | I18-P20 WeakPolarHBondContact O-CD 3.3Å; P20-R22 PolarHBondContact O-N 3.11Å | ||
| 21 | T | 44.2 | Very low | 60.8 | Low | 140 Ų | 140 | 102.3 Ų | 102.3 | 86% | 0.859 | 52% | 0.52 | S | S | * | . | trans | -61.3 | 107.3 | 167.4 | 34.8 | 0 | 0 | 0 | 0 | 107.6 | R19 A23 | R19-T21 PolarHBondContact O-N 2.93Å; T21-A23 PolarHBondContact O-N 3.32Å | ||
| 22 | R | 42.2 | Very low | 62 | Low | 236 Ų | 236 | 100.7 Ų | 100.7 | 89% | 0.891 | 51% | 0.514 | S | S | * | . | trans | -57.5 | 113.7 | 176 | -85 | -173.6 | 169.9 | -173.7 | -3.9 | 108.4 | P20 V24 | P20-R22 PolarHBondContact O-N 3.11Å; R22-V24 PolarHBondContact O-N 3.13Å; R22-V24 VanDerWaalsContact O-N 3.08Å | ||
| 23 | A | 44.8 | Very low | 63 | Low | 69 Ų | 69 | 103 Ų | 103 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | trans | -62.2 | 112.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | T21 M25 | T21-A23 PolarHBondContact O-N 3.32Å; A23-M25 PolarHBondContact O-N 3.39Å; A23-M25 VanDerWaalsContact O-N 3.13Å | ||
| 24 | V | 52.1 | Low | 63.8 | Low | 59 Ų | 59 | 98.9 Ų | 98.9 | 36% | 0.358 | 51% | 0.511 | S | S | . | . | trans | -56 | 115.4 | 174.6 | 166.5 | 0 | 0 | 0 | 0 | 108.7 | R22 D43 K80 | R22-V24 PolarHBondContact O-N 3.13Å; R22-V24 VanDerWaalsContact O-N 3.08Å; V24-D43 HydrophobicContact CG1-CB 4.33Å; V24-D43 WeakPolarHBondContact CG1-OD2 3.33Å; V24-K80 WeakPolarHBondContact O-CE 3.38Å; V24-K80 PolarHBondContact O-NZ 3.05Å | ||
| 25 | M | 56 | Low | 65.1 | Low | 84 Ų | 84 | 95.2 Ų | 95.2 | 41% | 0.414 | 49% | 0.489 | S | S | . | . | trans | -93.9 | 119.6 | -177.2 | -68.7 | 168.5 | -175.7 | 0 | 0 | 109.5 | A23 H27 | A23-M25 PolarHBondContact O-N 3.39Å; A23-M25 VanDerWaalsContact O-N 3.13Å; M25-H27 VanDerWaalsContact CB-CE1 3.43Å; M25-H27 WeakPolarHBondContact CB-CE1 3.5Å; M25-H27 PolarHBondContact O-N 3.48Å; M25-H27 PolarHBondContact O-ND1 2.77Å | ||
| 26 | V | 59.7 | Low | 66.7 | Low | 20 Ų | 20 | 89.1 Ų | 89.1 | 12% | 0.121 | 46% | 0.458 | C | S | . | . | trans | -83.3 | 108.1 | 171 | 180 | 0 | 0 | 0 | 0 | 107.4 | I29 F39 Y54 F75 | V26-I29 HydrophobicContact CG1-CD1 4.39Å; V26-I29 HydrophobicContact CG1-CG1 4.24Å; V26-F39 HydrophobicContact CG1-CB 4.15Å; V26-F39 HydrophobicContact CG1-CD2 3.71Å; V26-F39 HydrophobicContact CG1-CG 4.28Å; V26-Y54 HydrophobicContact CG2-CE1 4.48Å; V26-F75 HydrophobicContact CB-CE1 4.12Å; V26-F75 HydrophobicContact CB-CZ 4.49Å; V26-F75 HydrophobicContact CG1-CE1 3.84Å; V26-F75 HydrophobicContact CG1-CZ 4.21Å; V26-F75 HydrophobicContact CG2-CE1 4.31Å; V26-F75 HydrophobicContact CG2-CZ 4.22Å | ||
| 27 | H | 65.5 | Low | 68.3 | Low | 90 Ų | 90 | 78.6 Ų | 78.6 | 42% | 0.417 | 42% | 0.418 | S | S | . | . | trans | -93.7 | 156.7 | -173.4 | -66.1 | 75.2 | 0 | 0 | 0 | 111.7 | M25 N40 | M25-H27 VanDerWaalsContact CB-CE1 3.43Å; M25-H27 WeakPolarHBondContact CB-CE1 3.5Å; M25-H27 PolarHBondContact O-N 3.48Å; M25-H27 PolarHBondContact O-ND1 2.77Å; H27-N40 VanDerWaalsContact O-O 3.13Å | ||
| 28 | N | 78 | Confident | 70.3 | Confident | 89 Ų | 89 | 77.7 Ų | 77.7 | 48% | 0.476 | 40% | 0.398 | S | S | . | . | trans | 54.6 | 59.4 | 172 | -173.5 | 38.2 | 0 | 0 | 0 | 113.2 | T30 | N28-T30 WeakPolarHBondContact OD1-CG2 3.42Š| ||
| 29 | I | 87.7 | Confident | 72 | Confident | 3 Ų | 3 | 71.9 Ų | 71.9 | 2% | 0.015 | 37% | 0.368 | C | S | . | . | trans | -78.7 | 130.7 | 169.2 | -64.8 | 152.7 | 0 | 0 | 0 | 108 | V26 D37 F39 F75 Q77 R214 D215 | V26-I29 HydrophobicContact CG1-CD1 4.39Å; V26-I29 HydrophobicContact CG1-CG1 4.24Å; I29-D37 HydrophobicContact CG2-CB 4.41Å; I29-F39 HydrophobicContact CB-CB 4.36Å; I29-F39 HydrophobicContact CG1-CB 3.72Å; I29-F75 HydrophobicContact CD1-CD1 3.73Å; I29-F75 HydrophobicContact CD1-CE1 4.04Å; I29-F75 HydrophobicContact CG1-CD1 4.05Å; I29-F75 HydrophobicContact CG1-CE1 4.48Å; I29-Q77 HydrophobicContact CD1-CG 3.47Å; I29-Q77 VanDerWaalsContact CD1-CG 3.47Å; I29-R214 CarbonylContact O-C 3.57Å; I29-D215 HydrophobicContact CB-CB 4.34Å; I29-D215 PolarHBondContact O-N 3.4Å | ||
| 30 | T | 91.1 | Very high | 73.7 | Confident | 25 Ų | 25 | 64 Ų | 64 | 15% | 0.153 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131.9 | -174 | 68.7 | 0 | 0 | 0 | 0 | 110.4 | N28 D37 I38 R214 | N28-T30 WeakPolarHBondContact OD1-CG2 3.42Å; T30-D37 CarbonylContact O-C 3.6Å; T30-D37 WeakPolarHBondContact O-CA 3.44Å; T30-I38 PolarHBondContact N-O 3.21Å; T30-I38 PolarHBondContact O-N 2.91Å; T30-I38 PolarHBondContact OG1-O 3.29Å; T30-R214 HydrophobicContact CG2-CB 3.99Å; T30-R214 HydrophobicContact CG2-CG 3.64Å |
| 31 | R | 92.3 | Very high | 74.9 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.015 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 112.3 | -166.8 | -50.9 | -161.9 | -167.2 | -162.5 | 5.8 | 109.1 | G188 K189 I190 G213 | R31-G188 PolarHBondContact NE-O 2.77Å; R31-G188 PolarHBondContact NH2-O 3.4Å; R31-K189 PolarHBondContact NH1-O 2.66Å; R31-K189 VanDerWaalsContact NH2-C 3.33Å; R31-I190 VanDerWaalsContact NH2-N 3.19Å; R31-G213 PolarHBondContact N-O 3.09Å; R31-G213 PolarHBondContact O-N 3.44Å; R31-G213 VanDerWaalsContact O-N 3.13Å |
| 32 | V | 88.9 | Confident | 75.8 | Confident | 67 Ų | 67 | 55.6 Ų | 55.6 | 41% | 0.406 | 29% | 0.291 | S | S | . | . | trans | -112 | 141.9 | -170.3 | 176.4 | 0 | 0 | 0 | 0 | 108.4 | S35 I38 | V32-S35 WeakPolarHBondContact CB-OG 3.39Å; V32-S35 PolarHBondContact O-N 3.39Å; V32-I38 HydrophobicContact CG2-CD1 4.48Å | ||
| 33 | F | 85.6 | Confident | 76.5 | Confident | 103 Ų | 103 | 49.2 Ų | 49.2 | 45% | 0.452 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 139.1 | 179.8 | -170.8 | -108.5 | 0 | 0 | 0 | 110.5 | S35 T108 I212 | F33-S35 PolarHBondContact O-N 2.93Å; F33-S35 VanDerWaalsContact O-N 3.09Å; F33-T108 WeakPolarHBondContact CD2-O 3.44Å; F33-T108 WeakPolarHBondContact CE2-O 3.35Å; F33-I212 HydrophobicContact CB-CD1 4.04Å; F33-I212 HydrophobicContact CD2-CD1 4.07Å; F33-I212 HydrophobicContact CG-CD1 4.41Å |
| 34 | N | 81.4 | Confident | 77.3 | Confident | 123 Ų | 123 | 48.5 Ų | 48.5 | 66% | 0.658 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 23 | -176.9 | -66.8 | -3.6 | 0 | 0 | 0 | 116.4 | ||
| 35 | S | 87.2 | Confident | 77.8 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -130.1 | 171.6 | 166.3 | 82.9 | 0 | 0 | 0 | 0 | 112.9 | V32 F33 Q67 R210 | V32-S35 WeakPolarHBondContact CB-OG 3.39Å; V32-S35 PolarHBondContact O-N 3.39Å; F33-S35 PolarHBondContact O-N 2.93Å; F33-S35 VanDerWaalsContact O-N 3.09Å; S35-Q67 PolarHBondContact OG-NE2 3.32Å; S35-R210 PolarHBondContact O-NH1 3.47Å |
| 36 | G | 90.4 | Very high | 78.5 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | trans | -70.9 | 155.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q67 C68 P73 | G36-Q67 PolarHBondContact O-NE2 3Å; G36-C68 WeakPolarHBondContact CA-O 3.48Å; G36-P73 CarbonylContact C-O 3.6Å; G36-P73 VanDerWaalsContact CA-O 3.24Å; G36-P73 WeakPolarHBondContact CA-O 3.42Å | ||
| 37 | D | 93 | Very high | 79 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -62.9 | 141.5 | 179.5 | -59.9 | -19.8 | 0 | 0 | 0 | 110.7 | I29 T30 Q67 C68 P73 A74 F75 R210 | I29-D37 HydrophobicContact CG2-CB 4.41Å; T30-D37 CarbonylContact O-C 3.6Å; T30-D37 WeakPolarHBondContact O-CA 3.44Å; D37-Q67 WeakPolarHBondContact O-CA 3.46Å; D37-C68 PolarHBondContact O-N 2.87Å; D37-P73 PolarHBondContact N-O 3.49Å; D37-A74 WeakPolarHBondContact OD2-CA 3.42Å; D37-F75 HydrophobicContact CB-CB 4.17Å; D37-F75 PolarHBondContact OD2-N 2.9Å; D37-R210 WeakPolarHBondContact OD1-CD 2.89Å; D37-R210 IonicContact OD1-CZ 3.9Å; D37-R210 IonicContact OD1-NE 2.86Å; D37-R210 IonicContact OD1-NH1 3.76Å; D37-R210 PolarHBondContact OD1-NH1 3.23Å; D37-R210 WeakPolarHBondContact OD2-CD 3.28Å | ||
| 38 | I | 90.7 | Very high | 78.9 | Confident | 42 Ų | 42 | 61.6 Ų | 61.6 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.6 | 179.3 | -55.6 | 169.8 | 0 | 0 | 0 | 108.8 | T30 V32 A59 C66 Q67 | T30-I38 PolarHBondContact N-O 3.21Å; T30-I38 PolarHBondContact O-N 2.91Å; T30-I38 PolarHBondContact OG1-O 3.29Å; V32-I38 HydrophobicContact CG2-CD1 4.48Å; I38-A59 HydrophobicContact CG2-CB 4.05Å; I38-C66 CarbonylContact C-O 3.59Å; I38-C66 VanDerWaalsContact CA-O 3.23Å; I38-C66 WeakPolarHBondContact CA-O 3.3Å; I38-Q67 HydrophobicContact CG1-CB 4.03Å; I38-Q67 HydrophobicContact CG1-CG 3.79Å |
| 39 | F | 88.2 | Confident | 78.5 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.009 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 160.9 | -176.3 | 62.3 | -86.5 | 0 | 0 | 0 | 111.9 | V26 I29 Y54 A56 N65 C66 F75 | V26-F39 HydrophobicContact CG1-CB 4.15Å; V26-F39 HydrophobicContact CG1-CD2 3.71Å; V26-F39 HydrophobicContact CG1-CG 4.28Å; I29-F39 HydrophobicContact CB-CB 4.36Å; I29-F39 HydrophobicContact CG1-CB 3.72Å; F39-Y54 HydrophobicContact CE2-CD1 4.37Å; F39-Y54 HydrophobicContact CE2-CD2 4.32Å; F39-Y54 HydrophobicContact CE2-CG 4.03Å; F39-Y54 HydrophobicContact CZ-CG 4.1Å; F39-A56 HydrophobicContact CE1-CB 3.82Å; F39-A56 HydrophobicContact CZ-CB 3.68Å; F39-N65 WeakPolarHBondContact O-CA 3.48Å; F39-C66 HydrophobicContact CD1-CB 4.22Å; F39-C66 HydrophobicContact CD2-CB 4.09Å; F39-C66 HydrophobicContact CE1-CB 3.75Å; F39-C66 HydrophobicContact CE2-CB 3.62Å; F39-C66 HydrophobicContact CG-CB 4.38Å; F39-C66 HydrophobicContact CZ-CB 3.43Å; F39-C66 VanDerWaalsContact CZ-CB 3.43Å; F39-C66 PolarHBondContact N-O 2.93Å; F39-C66 PolarHBondContact O-N 2.88Å; F39-F75 HydrophobicContact CD1-CB 4.24Å; F39-F75 HydrophobicContact CD1-CD1 4.43Å; F39-F75 AromaticContact CD1-CD2 3.88Å; F39-F75 HydrophobicContact CD1-CD2 3.88Å; F39-F75 HydrophobicContact CD1-CE2 4.37Å; F39-F75 AromaticContact CD1-CG 3.91Å; F39-F75 HydrophobicContact CD1-CG 3.91Å; F39-F75 HydrophobicContact CD2-CE2 4.39Å; F39-F75 HydrophobicContact CD2-CZ 4.33Å; F39-F75 HydrophobicContact CE1-CB 4.47Å; F39-F75 AromaticContact CE1-CD2 3.49Å; F39-F75 HydrophobicContact CE1-CD2 3.49Å; F39-F75 VanDerWaalsContact CE1-CD2 3.49Å; F39-F75 AromaticContact CE1-CE2 3.87Å; F39-F75 HydrophobicContact CE1-CE2 3.87Å; F39-F75 HydrophobicContact CE1-CG 4.01Å; F39-F75 HydrophobicContact CE2-CD2 4.33Å; F39-F75 AromaticContact CE2-CE2 3.89Å; F39-F75 HydrophobicContact CE2-CE2 3.89Å; F39-F75 HydrophobicContact CE2-CZ 4.12Å; F39-F75 HydrophobicContact CG-CD1 4.46Å; F39-F75 HydrophobicContact CG-CD2 4.46Å; F39-F75 HydrophobicContact CG-CG 4.38Å; F39-F75 AromaticContact CZ-CD2 3.74Å; F39-F75 HydrophobicContact CZ-CD2 3.74Å; F39-F75 AromaticContact CZ-CE2 3.6Å; F39-F75 HydrophobicContact CZ-CE2 3.6Å; F39-F75 HydrophobicContact CZ-CZ 4.29Å |
| 40 | N | 82.4 | Confident | 78 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 146.8 | 175.8 | -171.1 | 10.2 | 0 | 0 | 0 | 109.9 | H27 C64 | H27-N40 VanDerWaalsContact O-O 3.13Å; N40-C64 WeakPolarHBondContact OD1-CB 3.34Å; N40-C64 PolarHBondContact OD1-O 3.39Å |
| 41 | N | 71 | Confident | 77.8 | Confident | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.011 | 34% | 0.336 | C | S | . | . | trans | -113.6 | 116.9 | 178.1 | -174.9 | 6.2 | 0 | 0 | 0 | 109.7 | D43 I44 H50 Y54 | N41-D43 VanDerWaalsContact C-N 3.3Å; N41-D43 PolarHBondContact O-N 3.48Å; N41-D43 PolarHBondContact OD1-N 3.42Å; N41-I44 WeakPolarHBondContact ND2-CD1 3.28Å; N41-H50 WeakPolarHBondContact CB-NE2 3.36Å; N41-H50 PolarHBondContact ND2-NE2 3.31Å; N41-Y54 PolarHBondContact ND2-OH 3.39Å | ||
| 42 | P | 63.7 | Low | 77.4 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -24.5 | 179.2 | 29.8 | -35.4 | 0 | 0 | 0 | 113.4 | ||
| 43 | D | 56.6 | Low | 77.2 | Confident | 101 Ų | 101 | 67.7 Ų | 67.7 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 8.1 | -162.2 | -71.5 | -18.5 | 0 | 0 | 0 | 114.4 | V24 N41 | V24-D43 HydrophobicContact CG1-CB 4.33Å; V24-D43 WeakPolarHBondContact CG1-OD2 3.33Å; N41-D43 VanDerWaalsContact C-N 3.3Å; N41-D43 PolarHBondContact O-N 3.48Å; N41-D43 PolarHBondContact OD1-N 3.42Å |
| 44 | I | 61.2 | Low | 77.2 | Confident | 54 Ų | 54 | 63.8 Ų | 63.8 | 28% | 0.277 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -132.3 | 112 | 178.2 | -62.6 | -177.3 | 0 | 0 | 0 | 110.5 | N41 C46 R47 H50 C64 | N41-I44 WeakPolarHBondContact ND2-CD1 3.28Å; I44-C46 PolarHBondContact O-N 3.17Å; I44-C46 VanDerWaalsContact O-N 3.09Å; I44-R47 HydrophobicContact CG2-CB 4.48Å; I44-H50 HydrophobicContact CG2-CB 4.5Å; I44-C64 PolarHBondContact O-SG 3.05Å; I44-C64 VanDerWaalsContact O-SG 3.37Å |
| 45 | N | 63.2 | Low | 77.5 | Confident | 140 Ų | 140 | 59.6 Ų | 59.6 | 75% | 0.749 | 33% | 0.334 | S | S | * | . | trans | -47 | 118.8 | 164.7 | -61.8 | 4.1 | 0 | 0 | 0 | 108.6 | R47 | N45-R47 VanDerWaalsContact C-N 3.32Å; N45-R47 WeakPolarHBondContact O-CG 3.49Å; N45-R47 PolarHBondContact O-N 3.28Å | ||
| 46 | C | 71.4 | Confident | 77.6 | Confident | 83 Ų | 83 | 58.9 Ų | 58.9 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | trans | -52.3 | 82.8 | -161.1 | -42.6 | 0 | 0 | 0 | 0 | 114.6 | I44 C64 | I44-C46 PolarHBondContact O-N 3.17Å; I44-C46 VanDerWaalsContact O-N 3.09Å; C46-C64 WeakPolarHBondContact CA-SG 3.31Å; C46-C64 HydrophobicContact CB-CB 4.16Å; C46-C64 WeakPolarHBondContact CB-SG 3.44Å; C46-C64 VanDerWaalsContact SG-CA 3.58Å; C46-C64 WeakPolarHBondContact SG-CB 3.36Å; C46-C64 PolarHBondContact SG-N 2.95Å; C46-C64 CovalentContact SG-SG 2.03Å; C46-C64 PolarHBondContact SG-SG 2.79Å | ||
| 47 | R | 68.8 | Low | 77.5 | Confident | 182 Ų | 182 | 63.9 Ų | 63.9 | 69% | 0.687 | 36% | 0.356 | S | S | * | . | trans | -87.7 | 153.4 | -174.9 | -87.5 | 169.6 | -179.9 | -164.9 | 0.2 | 110.4 | I44 N45 M49 H50 | I44-R47 HydrophobicContact CG2-CB 4.48Å; N45-R47 VanDerWaalsContact C-N 3.32Å; N45-R47 WeakPolarHBondContact O-CG 3.49Å; N45-R47 PolarHBondContact O-N 3.28Å; R47-M49 PolarHBondContact O-N 2.92Å; R47-M49 VanDerWaalsContact O-N 3.11Å; R47-H50 WeakPolarHBondContact O-CB 3.44Å; R47-H50 PolarHBondContact O-N 3.47Å | ||
| 48 | P | 63.9 | Low | 77.1 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 81% | 0.805 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -26.8 | -174.7 | 21.6 | -33.3 | 0 | 0 | 0 | 114.4 | ||
| 49 | M | 70.5 | Confident | 76.5 | Confident | 138 Ų | 138 | 66.2 Ų | 66.2 | 68% | 0.68 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 22.7 | 174.8 | -67.3 | -65.5 | -178.8 | 0 | 0 | 113.4 | R47 S52 | R47-M49 PolarHBondContact O-N 2.92Å; R47-M49 VanDerWaalsContact O-N 3.11Å; M49-S52 PolarHBondContact O-OG 3.28Å; M49-S52 PolarHBondContact SD-OG 2.97Å |
| 50 | H | 77.1 | Confident | 75.5 | Confident | 8 Ų | 8 | 76.5 Ų | 76.5 | 4% | 0.037 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -53.1 | -177.4 | 168.9 | -125.8 | 0 | 0 | 0 | 112.5 | N41 I44 R47 Y54 C64 C66 | N41-H50 WeakPolarHBondContact CB-NE2 3.36Å; N41-H50 PolarHBondContact ND2-NE2 3.31Å; I44-H50 HydrophobicContact CG2-CB 4.5Å; R47-H50 WeakPolarHBondContact O-CB 3.44Å; R47-H50 PolarHBondContact O-N 3.47Å; H50-Y54 AromaticContact NE2-CE2 3.98Å; H50-Y54 VanDerWaalsContact O-CD2 3.29Å; H50-Y54 WeakPolarHBondContact O-CD2 3.45Å; H50-Y54 WeakPolarHBondContact O-CE2 3.34Å; H50-C64 PolarHBondContact CE1-O 2.87Å; H50-C64 PolarHBondContact ND1-O 3.47Å; H50-C66 PolarHBondContact CE1-SG 2.97Å; H50-C66 PolarHBondContact ND1-SG 3.19Å; H50-C66 VanDerWaalsContact ND1-SG 3.44Å |
| 51 | C | 85.5 | Confident | 74.4 | Confident | 4 Ų | 4 | 82.1 Ų | 82.1 | 3% | 0.027 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -27.9 | -173 | -60.1 | 0 | 0 | 0 | 0 | 114 | V53 Y54 G55 A56 C66 | C51-V53 VanDerWaalsContact C-N 3.29Å; C51-V53 PolarHBondContact O-N 3.17Å; C51-Y54 WeakPolarHBondContact O-CB 3.45Å; C51-Y54 PolarHBondContact O-N 2.97Å; C51-G55 PolarHBondContact O-N 3.38Å; C51-A56 CarbonylContact C-O 3.34Å; C51-A56 HydrophobicContact CB-CB 4.11Å; C51-A56 WeakPolarHBondContact CB-O 3.38Å; C51-A56 PolarHBondContact O-N 3.34Å; C51-A56 VanDerWaalsContact O-O 3.14Å; C51-C66 WeakPolarHBondContact CA-SG 3.3Å; C51-C66 HydrophobicContact CB-CB 3.73Å; C51-C66 WeakPolarHBondContact CB-SG 3.5Å; C51-C66 WeakPolarHBondContact SG-CA 3.42Å; C51-C66 WeakPolarHBondContact SG-CB 3.23Å; C51-C66 CovalentContact SG-SG 2.04Å; C51-C66 PolarHBondContact SG-SG 3.15Å |
| 52 | S | 85.3 | Confident | 73.8 | Confident | 65 Ų | 65 | 87.6 Ų | 87.6 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -64.7 | -31 | -175.4 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | M49 Y54 G55 A56 | M49-S52 PolarHBondContact O-OG 3.28Å; M49-S52 PolarHBondContact SD-OG 2.97Å; S52-Y54 PolarHBondContact O-N 2.79Å; S52-G55 PolarHBondContact O-N 3.31Å; S52-A56 PolarHBondContact N-O 3.35Å |
| 53 | V | 84 | Confident | 74 | Confident | 100 Ų | 100 | 86.1 Ų | 86.1 | 61% | 0.606 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -56.6 | -33.7 | 172.3 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | C51 | C51-V53 VanDerWaalsContact C-N 3.29Å; C51-V53 PolarHBondContact O-N 3.17Å |
| 54 | Y | 86.5 | Confident | 75.1 | Confident | 22 Ų | 22 | 82.2 Ų | 82.2 | 9% | 0.086 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -90.2 | -2 | -179.9 | -59.2 | -83.5 | 0 | 0 | 0 | 113.1 | V26 F39 N41 H50 C51 S52 A56 F75 K80 K81 C82 | V26-Y54 HydrophobicContact CG2-CE1 4.48Å; F39-Y54 HydrophobicContact CE2-CD1 4.37Å; F39-Y54 HydrophobicContact CE2-CD2 4.32Å; F39-Y54 HydrophobicContact CE2-CG 4.03Å; F39-Y54 HydrophobicContact CZ-CG 4.1Å; N41-Y54 PolarHBondContact ND2-OH 3.39Å; H50-Y54 AromaticContact NE2-CE2 3.98Å; H50-Y54 VanDerWaalsContact O-CD2 3.29Å; H50-Y54 WeakPolarHBondContact O-CD2 3.45Å; H50-Y54 WeakPolarHBondContact O-CE2 3.34Å; C51-Y54 WeakPolarHBondContact O-CB 3.45Å; C51-Y54 PolarHBondContact O-N 2.97Å; S52-Y54 PolarHBondContact O-N 2.79Å; Y54-A56 VanDerWaalsContact C-N 3.31Å; Y54-F75 AromaticContact CD1-CE2 3.96Å; Y54-F75 HydrophobicContact CD1-CE2 3.96Å; Y54-F75 HydrophobicContact CD1-CZ 4.05Å; Y54-F75 HydrophobicContact CG-CE2 4.42Å; Y54-K80 HydrophobicContact CD1-CB 4.27Å; Y54-K80 VanDerWaalsContact CD1-O 3.25Å; Y54-K80 WeakPolarHBondContact CD1-O 3.45Å; Y54-K80 HydrophobicContact CE1-CB 4.2Å; Y54-K81 WeakPolarHBondContact O-CA 3.37Å; Y54-C82 PolarHBondContact O-N 2.93Å |
| 55 | G | 86.8 | Confident | 76.3 | Confident | 34 Ų | 34 | 82.8 Ų | 82.8 | 35% | 0.351 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 25.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C51 S52 P69 | C51-G55 PolarHBondContact O-N 3.38Å; S52-G55 PolarHBondContact O-N 3.31Å; G55-P69 WeakPolarHBondContact O-CD 3.27Å |
| 56 | A | 88.7 | Confident | 77.5 | Confident | 5 Ų | 5 | 76.1 Ų | 76.1 | 4% | 0.041 | 43% | 0.431 | C | S | . | . | trans | -115.2 | 158.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F39 C51 S52 Y54 C66 | F39-A56 HydrophobicContact CE1-CB 3.82Å; F39-A56 HydrophobicContact CZ-CB 3.68Å; C51-A56 CarbonylContact C-O 3.34Å; C51-A56 HydrophobicContact CB-CB 4.11Å; C51-A56 WeakPolarHBondContact CB-O 3.38Å; C51-A56 PolarHBondContact O-N 3.34Å; C51-A56 VanDerWaalsContact O-O 3.14Å; S52-A56 PolarHBondContact N-O 3.35Å; Y54-A56 VanDerWaalsContact C-N 3.31Å; A56-C66 HydrophobicContact CB-CB 3.86Å | ||
| 57 | N | 88.3 | Confident | 78.5 | Confident | 106 Ų | 106 | 75.2 Ų | 75.2 | 57% | 0.567 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 157.8 | 173.2 | -64.9 | -12.1 | 0 | 0 | 0 | 110.3 | A59 C66 Q67 | N57-A59 PolarHBondContact O-N 2.8Å; N57-C66 CarbonylContact O-C 3.59Å; N57-C66 VanDerWaalsContact O-CA 3.31Å; N57-C66 WeakPolarHBondContact O-CA 3.47Å; N57-Q67 PolarHBondContact N-O 2.81Å; N57-Q67 PolarHBondContact O-N 2.9Å |
| 58 | S | 85.8 | Confident | 79.6 | Confident | 79 Ų | 79 | 66.7 Ų | 66.7 | 55% | 0.552 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127.4 | 175.5 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | R60 | S58-R60 PolarHBondContact O-N 3.14Å |
| 59 | A | 77.7 | Confident | 81 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -91.9 | 92.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112 | I38 N57 N65 Q67 | I38-A59 HydrophobicContact CG2-CB 4.05Å; N57-A59 PolarHBondContact O-N 2.8Å; A59-N65 HydrophobicContact CB-CB 3.86Å; A59-N65 PolarHBondContact N-O 2.98Å; A59-Q67 HydrophobicContact CB-CB 3.82Å |
| 60 | R | 67.7 | Low | 81.9 | Confident | 218 Ų | 218 | 62.3 Ų | 62.3 | 82% | 0.823 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 68.4 | 149.3 | -171 | -51.3 | -179.9 | 177.8 | -170.6 | -2.2 | 112.7 | S58 S62 | S58-R60 PolarHBondContact O-N 3.14Å; R60-S62 PolarHBondContact O-N 2.88Å |
| 61 | N | 59 | Low | 82.5 | Confident | 175 Ų | 175 | 64.9 Ų | 64.9 | 94% | 0.936 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 29.4 | -163.6 | -64 | -5.3 | 0 | 0 | 0 | 115.5 | ||
| 62 | S | 58.2 | Low | 82.8 | Confident | 116 Ų | 116 | 71.4 Ų | 71.4 | 81% | 0.811 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.7 | 29.3 | -166.3 | 67.2 | 0 | 0 | 0 | 0 | 116.5 | R60 | R60-S62 PolarHBondContact O-N 2.88Š|
| 63 | G | 67.7 | Low | 83.1 | Confident | 44 Ų | 44 | 68.6 Ų | 68.6 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -175.7 | 178.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | N65 | G63-N65 PolarHBondContact O-N 3.21Å; G63-N65 VanDerWaalsContact O-N 3.15Å |
| 64 | C | 80.1 | Confident | 83.6 | Confident | 19 Ų | 19 | 63.9 Ų | 63.9 | 13% | 0.128 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -71.6 | 9.3 | 174.2 | -89 | 0 | 0 | 0 | 0 | 114.2 | N40 I44 C46 H50 | N40-C64 WeakPolarHBondContact OD1-CB 3.34Å; N40-C64 PolarHBondContact OD1-O 3.39Å; I44-C64 PolarHBondContact O-SG 3.05Å; I44-C64 VanDerWaalsContact O-SG 3.37Å; C46-C64 WeakPolarHBondContact CA-SG 3.31Å; C46-C64 HydrophobicContact CB-CB 4.16Å; C46-C64 WeakPolarHBondContact CB-SG 3.44Å; C46-C64 VanDerWaalsContact SG-CA 3.58Å; C46-C64 WeakPolarHBondContact SG-CB 3.36Å; C46-C64 PolarHBondContact SG-N 2.95Å; C46-C64 CovalentContact SG-SG 2.03Å; C46-C64 PolarHBondContact SG-SG 2.79Å; H50-C64 PolarHBondContact CE1-O 2.87Å; H50-C64 PolarHBondContact ND1-O 3.47Å |
| 65 | N | 85.9 | Confident | 83.9 | Confident | 66 Ų | 66 | 62.9 Ų | 62.9 | 35% | 0.353 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 139.2 | -177.1 | -62.9 | -18.3 | 0 | 0 | 0 | 110.9 | F39 A59 G63 | F39-N65 WeakPolarHBondContact O-CA 3.48Å; A59-N65 HydrophobicContact CB-CB 3.86Å; A59-N65 PolarHBondContact N-O 2.98Å; G63-N65 PolarHBondContact O-N 3.21Å; G63-N65 VanDerWaalsContact O-N 3.15Å |
| 66 | C | 88.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 148.8 | 174.9 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | I38 F39 H50 C51 A56 N57 | I38-C66 CarbonylContact C-O 3.59Å; I38-C66 VanDerWaalsContact CA-O 3.23Å; I38-C66 WeakPolarHBondContact CA-O 3.3Å; F39-C66 HydrophobicContact CD1-CB 4.22Å; F39-C66 HydrophobicContact CD2-CB 4.09Å; F39-C66 HydrophobicContact CE1-CB 3.75Å; F39-C66 HydrophobicContact CE2-CB 3.62Å; F39-C66 HydrophobicContact CG-CB 4.38Å; F39-C66 HydrophobicContact CZ-CB 3.43Å; F39-C66 VanDerWaalsContact CZ-CB 3.43Å; F39-C66 PolarHBondContact N-O 2.93Å; F39-C66 PolarHBondContact O-N 2.88Å; H50-C66 PolarHBondContact CE1-SG 2.97Å; H50-C66 PolarHBondContact ND1-SG 3.19Å; H50-C66 VanDerWaalsContact ND1-SG 3.44Å; C51-C66 WeakPolarHBondContact CA-SG 3.3Å; C51-C66 HydrophobicContact CB-CB 3.73Å; C51-C66 WeakPolarHBondContact CB-SG 3.5Å; C51-C66 WeakPolarHBondContact SG-CA 3.42Å; C51-C66 WeakPolarHBondContact SG-CB 3.23Å; C51-C66 CovalentContact SG-SG 2.04Å; C51-C66 PolarHBondContact SG-SG 3.15Å; A56-C66 HydrophobicContact CB-CB 3.86Å; N57-C66 CarbonylContact O-C 3.59Å; N57-C66 VanDerWaalsContact O-CA 3.31Å; N57-C66 WeakPolarHBondContact O-CA 3.47Å |
| 67 | Q | 91.6 | Very high | 84 | Confident | 63 Ų | 63 | 62.2 Ų | 62.2 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 130.3 | 175.5 | -177.9 | 164.5 | 31.1 | 0 | 0 | 110.1 | S35 G36 D37 I38 N57 A59 | S35-Q67 PolarHBondContact OG-NE2 3.32Å; G36-Q67 PolarHBondContact O-NE2 3Å; D37-Q67 WeakPolarHBondContact O-CA 3.46Å; I38-Q67 HydrophobicContact CG1-CB 4.03Å; I38-Q67 HydrophobicContact CG1-CG 3.79Å; N57-Q67 PolarHBondContact N-O 2.81Å; N57-Q67 PolarHBondContact O-N 2.9Å; A59-Q67 HydrophobicContact CB-CB 3.82Å |
| 68 | C | 93.3 | Very high | 83.9 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.02 | 34% | 0.336 | C | S | . | . | trans | -66.4 | 143.6 | 173.6 | -70.2 | 0 | 0 | 0 | 0 | 111.6 | G36 D37 R72 C82 | G36-C68 WeakPolarHBondContact CA-O 3.48Å; D37-C68 PolarHBondContact O-N 2.87Å; C68-R72 WeakPolarHBondContact CB-O 3.36Å; C68-C82 WeakPolarHBondContact CA-SG 3.35Å; C68-C82 HydrophobicContact CB-CB 3.74Å; C68-C82 WeakPolarHBondContact CB-SG 3.32Å; C68-C82 WeakPolarHBondContact SG-CB 3.5Å; C68-C82 CovalentContact SG-SG 2.04Å; C68-C82 PolarHBondContact SG-SG 3.2Å | ||
| 69 | P | 92.7 | Very high | 84 | Confident | 42 Ų | 42 | 60 Ų | 60 | 27% | 0.273 | 33% | 0.33 | S | S | . | . | trans | -71 | 153 | 176.5 | 30.8 | -35.3 | 0 | 0 | 0 | 111.2 | G55 G71 R72 P73 | G55-P69 WeakPolarHBondContact O-CD 3.27Å; P69-G71 PolarHBondContact O-N 3.38Å; P69-G71 VanDerWaalsContact O-N 3.13Å; P69-R72 HydrophobicContact CG-CB 4.29Å; P69-R72 CarbonylContact O-C 3.5Å; P69-R72 PolarHBondContact O-N 3.39Å; P69-P73 WeakPolarHBondContact O-CA 3.44Å | ||
| 70 | L | 88.9 | Confident | 84.4 | Confident | 128 Ų | 128 | 62.4 Ų | 62.4 | 67% | 0.67 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -33 | -177.4 | -66.4 | 176.9 | 0 | 0 | 0 | 113.8 | R72 P73 | L70-R72 VanDerWaalsContact C-N 3.29Å; L70-R72 PolarHBondContact O-N 2.87Å; L70-P73 WeakPolarHBondContact O-CD 3.45Å |
| 71 | G | 89.1 | Confident | 85.5 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 64% | 0.639 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -8.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P69 D84 | P69-G71 PolarHBondContact O-N 3.38Å; P69-G71 VanDerWaalsContact O-N 3.13Å; G71-D84 WeakPolarHBondContact O-CB 3.41Å |
| 72 | R | 92.5 | Very high | 87.1 | Confident | 142 Ų | 142 | 49.8 Ų | 49.8 | 54% | 0.536 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -146.2 | 64.7 | 172.5 | -67.4 | -171.8 | -166.8 | 140.4 | 6.6 | 109.7 | C68 P69 L70 A74 C82 A83 D84 | C68-R72 WeakPolarHBondContact CB-O 3.36Å; P69-R72 HydrophobicContact CG-CB 4.29Å; P69-R72 CarbonylContact O-C 3.5Å; P69-R72 PolarHBondContact O-N 3.39Å; L70-R72 VanDerWaalsContact C-N 3.29Å; L70-R72 PolarHBondContact O-N 2.87Å; R72-A74 PolarHBondContact O-N 3.35Å; R72-C82 HydrophobicContact CB-CB 4.37Å; R72-C82 WeakPolarHBondContact O-CB 3.38Å; R72-A83 CarbonylContact C-O 3.3Å; R72-A83 WeakPolarHBondContact CA-O 3.35Å; R72-D84 HydrophobicContact CG-CB 4.36Å |
| 73 | P | 92.7 | Very high | 88.8 | Confident | 6 Ų | 6 | 45 Ų | 45 | 4% | 0.039 | 25% | 0.25 | C | C | . | . | trans | -81.7 | -11.9 | -157.3 | 32.5 | -34.7 | 0 | 0 | 0 | 114.3 | G36 D37 P69 L70 M104 R210 | G36-P73 CarbonylContact C-O 3.6Å; G36-P73 VanDerWaalsContact CA-O 3.24Å; G36-P73 WeakPolarHBondContact CA-O 3.42Å; D37-P73 PolarHBondContact N-O 3.49Å; P69-P73 WeakPolarHBondContact O-CA 3.44Å; L70-P73 WeakPolarHBondContact O-CD 3.45Å; P73-M104 HydrophobicContact CG-CE 3.59Å; P73-R210 PolarHBondContact O-NH1 3.33Å | ||
| 74 | A | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 129.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | D37 R72 L76 C82 A83 L106 I190 R210 | D37-A74 WeakPolarHBondContact OD2-CA 3.42Å; R72-A74 PolarHBondContact O-N 3.35Å; A74-L76 PolarHBondContact O-N 3.05Å; A74-C82 CarbonylContact O-C 3.5Å; A74-C82 WeakPolarHBondContact O-CA 3.46Å; A74-A83 PolarHBondContact N-O 2.96Å; A74-A83 VanDerWaalsContact N-O 3.12Å; A74-A83 PolarHBondContact O-N 2.93Å; A74-L106 HydrophobicContact CB-CD2 3.48Å; A74-L106 VanDerWaalsContact CB-CD2 3.48Å; A74-I190 HydrophobicContact CB-CD1 4.49Å; A74-R210 HydrophobicContact CB-CG 4.3Å |
| 75 | F | 92.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 106.6 | 172.1 | -173.5 | -105.3 | 0 | 0 | 0 | 111.1 | V26 I29 D37 F39 Y54 Q77 K80 | V26-F75 HydrophobicContact CB-CE1 4.12Å; V26-F75 HydrophobicContact CB-CZ 4.49Å; V26-F75 HydrophobicContact CG1-CE1 3.84Å; V26-F75 HydrophobicContact CG1-CZ 4.21Å; V26-F75 HydrophobicContact CG2-CE1 4.31Å; V26-F75 HydrophobicContact CG2-CZ 4.22Å; I29-F75 HydrophobicContact CD1-CD1 3.73Å; I29-F75 HydrophobicContact CD1-CE1 4.04Å; I29-F75 HydrophobicContact CG1-CD1 4.05Å; I29-F75 HydrophobicContact CG1-CE1 4.48Å; D37-F75 HydrophobicContact CB-CB 4.17Å; D37-F75 PolarHBondContact OD2-N 2.9Å; F39-F75 HydrophobicContact CD1-CB 4.24Å; F39-F75 HydrophobicContact CD1-CD1 4.43Å; F39-F75 AromaticContact CD1-CD2 3.88Å; F39-F75 HydrophobicContact CD1-CD2 3.88Å; F39-F75 HydrophobicContact CD1-CE2 4.37Å; F39-F75 AromaticContact CD1-CG 3.91Å; F39-F75 HydrophobicContact CD1-CG 3.91Å; F39-F75 HydrophobicContact CD2-CE2 4.39Å; F39-F75 HydrophobicContact CD2-CZ 4.33Å; F39-F75 HydrophobicContact CE1-CB 4.47Å; F39-F75 AromaticContact CE1-CD2 3.49Å; F39-F75 HydrophobicContact CE1-CD2 3.49Å; F39-F75 VanDerWaalsContact CE1-CD2 3.49Å; F39-F75 AromaticContact CE1-CE2 3.87Å; F39-F75 HydrophobicContact CE1-CE2 3.87Å; F39-F75 HydrophobicContact CE1-CG 4.01Å; F39-F75 HydrophobicContact CE2-CD2 4.33Å; F39-F75 AromaticContact CE2-CE2 3.89Å; F39-F75 HydrophobicContact CE2-CE2 3.89Å; F39-F75 HydrophobicContact CE2-CZ 4.12Å; F39-F75 HydrophobicContact CG-CD1 4.46Å; F39-F75 HydrophobicContact CG-CD2 4.46Å; F39-F75 HydrophobicContact CG-CG 4.38Å; F39-F75 AromaticContact CZ-CD2 3.74Å; F39-F75 HydrophobicContact CZ-CD2 3.74Å; F39-F75 AromaticContact CZ-CE2 3.6Å; F39-F75 HydrophobicContact CZ-CE2 3.6Å; F39-F75 HydrophobicContact CZ-CZ 4.29Å; Y54-F75 AromaticContact CD1-CE2 3.96Å; Y54-F75 HydrophobicContact CD1-CE2 3.96Å; Y54-F75 HydrophobicContact CD1-CZ 4.05Å; Y54-F75 HydrophobicContact CG-CE2 4.42Å; F75-Q77 PolarHBondContact O-N 3.13Å; F75-K80 HydrophobicContact CZ-CB 4.31Å |
| 76 | L | 91.6 | Very high | 90.6 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 108.4 | 178.8 | -58.3 | -174.2 | 0 | 0 | 0 | 110 | A74 H78 V79 K80 K81 A83 I86 L149 I190 | A74-L76 PolarHBondContact O-N 3.05Å; L76-H78 PolarHBondContact O-N 2.79Å; L76-V79 HydrophobicContact CB-CB 4.15Å; L76-V79 HydrophobicContact CB-CG2 3.9Å; L76-V79 HydrophobicContact CD1-CG2 3.94Å; L76-V79 PolarHBondContact O-N 2.77Å; L76-K80 VanDerWaalsContact O-CA 3.31Å; L76-K80 WeakPolarHBondContact O-CA 3.38Å; L76-K80 PolarHBondContact O-N 2.7Å; L76-K81 PolarHBondContact N-O 3.04Å; L76-K81 PolarHBondContact O-N 3.34Å; L76-A83 HydrophobicContact CD1-CB 3.59Å; L76-A83 HydrophobicContact CG-CB 3.83Å; L76-I86 HydrophobicContact CD1-CG1 4.27Å; L76-I86 HydrophobicContact CD2-CD1 4.15Å; L76-I86 HydrophobicContact CD2-CG1 3.95Å; L76-L149 HydrophobicContact CB-CD2 4.42Å; L76-L149 HydrophobicContact CD2-CD2 3.98Å; L76-I190 HydrophobicContact CD2-CD1 3.52Å |
| 77 | Q | 87.7 | Confident | 90.3 | Very high | 13 Ų | 13 | 49.2 Ų | 49.2 | 6% | 0.061 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -40.2 | -173.1 | -68.2 | 178.1 | 10.9 | 0 | 0 | 114.1 | I29 F75 K80 H151 D215 | I29-Q77 HydrophobicContact CD1-CG 3.47Å; I29-Q77 VanDerWaalsContact CD1-CG 3.47Å; F75-Q77 PolarHBondContact O-N 3.13Å; Q77-K80 WeakPolarHBondContact O-CG 3.28Å; Q77-H151 VanDerWaalsContact OE1-N 3.09Å; Q77-D215 PolarHBondContact NE2-OD2 3.01Å |
| 78 | H | 85.4 | Confident | 89.8 | Confident | 68 Ų | 68 | 50.1 Ų | 50.1 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -41.6 | -179.9 | 67.9 | -88.5 | 0 | 0 | 0 | 112.3 | L76 L149 | L76-H78 PolarHBondContact O-N 2.79Å; H78-L149 WeakPolarHBondContact ND1-CD1 3.04Å; H78-L149 WeakPolarHBondContact ND1-CD2 3.38Å |
| 79 | V | 87.4 | Confident | 89.4 | Confident | 70 Ų | 70 | 51 Ų | 51 | 42% | 0.424 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -27.5 | 175.5 | -163.5 | 0 | 0 | 0 | 0 | 112.1 | L76 K81 | L76-V79 HydrophobicContact CB-CB 4.15Å; L76-V79 HydrophobicContact CB-CG2 3.9Å; L76-V79 HydrophobicContact CD1-CG2 3.94Å; L76-V79 PolarHBondContact O-N 2.77Å; V79-K81 HydrophobicContact CG1-CB 4.13Å; V79-K81 HydrophobicContact CG1-CD 4.18Å; V79-K81 HydrophobicContact CG1-CG 4.16Å |
| 80 | K | 87 | Confident | 89.2 | Confident | 63 Ų | 63 | 54.9 Ų | 54.9 | 27% | 0.274 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 48.1 | -169.1 | -55 | 175.3 | -175.6 | 179 | 0 | 111.8 | V24 Y54 F75 L76 Q77 | V24-K80 WeakPolarHBondContact O-CE 3.38Å; V24-K80 PolarHBondContact O-NZ 3.05Å; Y54-K80 HydrophobicContact CD1-CB 4.27Å; Y54-K80 VanDerWaalsContact CD1-O 3.25Å; Y54-K80 WeakPolarHBondContact CD1-O 3.45Å; Y54-K80 HydrophobicContact CE1-CB 4.2Å; F75-K80 HydrophobicContact CZ-CB 4.31Å; L76-K80 VanDerWaalsContact O-CA 3.31Å; L76-K80 WeakPolarHBondContact O-CA 3.38Å; L76-K80 PolarHBondContact O-N 2.7Å; Q77-K80 WeakPolarHBondContact O-CG 3.28Å |
| 81 | K | 90.5 | Very high | 89.2 | Confident | 119 Ų | 119 | 49.8 Ų | 49.8 | 52% | 0.517 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 151.9 | 177.5 | -67.6 | -173.8 | -179.2 | 176.7 | 0 | 112.2 | Y54 L76 V79 | Y54-K81 WeakPolarHBondContact O-CA 3.37Å; L76-K81 PolarHBondContact N-O 3.04Å; L76-K81 PolarHBondContact O-N 3.34Å; V79-K81 HydrophobicContact CG1-CB 4.13Å; V79-K81 HydrophobicContact CG1-CD 4.18Å; V79-K81 HydrophobicContact CG1-CG 4.16Å |
| 82 | C | 93.1 | Very high | 89.2 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 129.8 | 168.3 | -64.3 | 0 | 0 | 0 | 0 | 111.4 | Y54 C68 R72 A74 | Y54-C82 PolarHBondContact O-N 2.93Å; C68-C82 WeakPolarHBondContact CA-SG 3.35Å; C68-C82 HydrophobicContact CB-CB 3.74Å; C68-C82 WeakPolarHBondContact CB-SG 3.32Å; C68-C82 WeakPolarHBondContact SG-CB 3.5Å; C68-C82 CovalentContact SG-SG 2.04Å; C68-C82 PolarHBondContact SG-SG 3.2Å; R72-C82 HydrophobicContact CB-CB 4.37Å; R72-C82 WeakPolarHBondContact O-CB 3.38Å; A74-C82 CarbonylContact O-C 3.5Å; A74-C82 WeakPolarHBondContact O-CA 3.46Å |
| 83 | A | 93.3 | Very high | 89.2 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 12% | 0.116 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 156.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R72 A74 L76 | R72-A83 CarbonylContact C-O 3.3Å; R72-A83 WeakPolarHBondContact CA-O 3.35Å; A74-A83 PolarHBondContact N-O 2.96Å; A74-A83 VanDerWaalsContact N-O 3.12Å; A74-A83 PolarHBondContact O-N 2.93Å; L76-A83 HydrophobicContact CD1-CB 3.59Å; L76-A83 HydrophobicContact CG-CB 3.83Å |
| 84 | D | 91.6 | Very high | 89 | Confident | 56 Ų | 56 | 44.1 Ų | 44.1 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -92.8 | -14.1 | 167.6 | 78 | -52.9 | 0 | 0 | 0 | 112.1 | G71 R72 K105 | G71-D84 WeakPolarHBondContact O-CB 3.41Å; R72-D84 HydrophobicContact CG-CB 4.36Å; D84-K105 WeakPolarHBondContact O-CB 3.38Å; D84-K105 IonicContact OD2-NZ 3.85Å; D84-K105 PolarHBondContact OD2-NZ 3.11Å |
| 85 | S | 90.5 | Very high | 88.6 | Confident | 38 Ų | 38 | 44.2 Ų | 44.2 | 27% | 0.266 | 23% | 0.228 | S | C | . | . | trans | -158.3 | 158.2 | -164.9 | 54 | 0 | 0 | 0 | 0 | 113.6 | M91 | S85-M91 VanDerWaalsContact CB-CE 3.43Š| ||
| 86 | I | 88.5 | Confident | 87.9 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 6% | 0.062 | 25% | 0.247 | C | C | . | . | trans | -113 | 141 | 172.7 | -75.9 | 142.6 | 0 | 0 | 0 | 107.6 | L76 D88 M91 L106 W154 I190 V208 | L76-I86 HydrophobicContact CD1-CG1 4.27Å; L76-I86 HydrophobicContact CD2-CD1 4.15Å; L76-I86 HydrophobicContact CD2-CG1 3.95Å; I86-D88 HydrophobicContact CG2-CB 3.89Å; I86-M91 HydrophobicContact CB-SD 3.98Å; I86-M91 PolarHBondContact N-SD 3.38Å; I86-L106 HydrophobicContact CD1-CD1 4.5Å; I86-L106 HydrophobicContact CD1-CD2 3.99Å; I86-W154 HydrophobicContact CD1-CH2 3.96Å; I86-W154 HydrophobicContact CD1-CZ2 3.76Å; I86-W154 HydrophobicContact CG1-CZ2 4.27Å; I86-W154 HydrophobicContact CG2-CZ2 4.1Å; I86-I190 HydrophobicContact CD1-CD1 4.44Å; I86-I190 HydrophobicContact CD1-CG2 4.42Å; I86-V208 HydrophobicContact CD1-CG1 3.74Å | ||
| 87 | S | 83.2 | Confident | 86.7 | Confident | 112 Ų | 112 | 52.7 Ų | 52.7 | 78% | 0.783 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -84.2 | -14.9 | -175.6 | 40.3 | 0 | 0 | 0 | 0 | 114.6 | C89 | S87-C89 VanDerWaalsContact C-N 3.34Å; S87-C89 PolarHBondContact O-N 3.16Å |
| 88 | D | 80.3 | Confident | 85.6 | Confident | 83 Ų | 83 | 54.7 Ų | 54.7 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -80.5 | -19.5 | -155.5 | -50.3 | -17.3 | 0 | 0 | 0 | 112.4 | I86 W154 | I86-D88 HydrophobicContact CG2-CB 3.89Å; D88-W154 PolarHBondContact OD2-NE1 2.81Å |
| 89 | C | 85.7 | Confident | 84.9 | Confident | 22 Ų | 22 | 56.5 Ų | 56.5 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -156.2 | 173.7 | 172.1 | 59.1 | 0 | 0 | 0 | 0 | 112 | S87 M91 E192 D204 C206 | S87-C89 VanDerWaalsContact C-N 3.34Å; S87-C89 PolarHBondContact O-N 3.16Å; C89-M91 PolarHBondContact O-N 2.98Å; C89-M91 VanDerWaalsContact O-N 3.15Å; C89-E192 PolarHBondContact SG-OE1 2.83Å; C89-D204 HydrophobicContact CB-CB 4.18Å; C89-D204 WeakPolarHBondContact CB-O 3.34Å; C89-C206 HydrophobicContact CB-CB 4.29Å; C89-C206 WeakPolarHBondContact CB-SG 3.48Å; C89-C206 WeakPolarHBondContact SG-CB 3.42Å; C89-C206 CovalentContact SG-SG 2.03Å; C89-C206 PolarHBondContact SG-SG 2.74Å |
| 90 | R | 88.2 | Confident | 84.2 | Confident | 123 Ų | 123 | 58 Ų | 58 | 46% | 0.464 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 100.6 | 177.9 | -176.9 | -179.9 | 178.7 | 161.3 | -0.5 | 109.5 | A129 S202 D204 L205 C206 | R90-A129 VanDerWaalsContact CZ-O 3.27Å; R90-A129 PolarHBondContact NE-O 3.47Å; R90-A129 PolarHBondContact NH2-O 2.96Å; R90-S202 PolarHBondContact NH1-OG 3.4Å; R90-S202 VanDerWaalsContact NH1-OG 3.08Å; R90-D204 VanDerWaalsContact CB-O 3.32Å; R90-D204 WeakPolarHBondContact CB-O 3.3Å; R90-D204 PolarHBondContact N-O 2.92Å; R90-L205 CarbonylContact O-C 3.57Å; R90-L205 WeakPolarHBondContact O-CA 3.41Å; R90-L205 WeakPolarHBondContact O-CD1 3.26Å; R90-C206 PolarHBondContact O-N 3.1Å |
| 91 | M | 89.3 | Confident | 83.4 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 10% | 0.099 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 140 | -179.3 | -59.6 | -173 | -47.9 | 0 | 0 | 113.4 | S85 I86 C89 K105 L106 C206 V208 | S85-M91 VanDerWaalsContact CB-CE 3.43Å; I86-M91 HydrophobicContact CB-SD 3.98Å; I86-M91 PolarHBondContact N-SD 3.38Å; C89-M91 PolarHBondContact O-N 2.98Å; C89-M91 VanDerWaalsContact O-N 3.15Å; M91-K105 HydrophobicContact CE-CB 3.67Å; M91-K105 HydrophobicContact CE-CD 3.65Å; M91-K105 HydrophobicContact CE-CG 3.92Å; M91-L106 HydrophobicContact CE-CD1 3.81Å; M91-L106 HydrophobicContact SD-CD1 3.53Å; M91-L106 VanDerWaalsContact SD-CD1 3.53Å; M91-C206 CarbonylContact C-O 3.12Å; M91-C206 WeakPolarHBondContact CA-O 3.41Å; M91-V208 HydrophobicContact CG-CG2 4.16Å; M91-V208 HydrophobicContact SD-CB 4.39Å; M91-V208 HydrophobicContact SD-CG2 4.27Å |
| 92 | L | 90.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 139.1 | 170 | -177 | 56.5 | 0 | 0 | 0 | 110.5 | P124 W126 A129 L195 L205 C206 A207 | L92-P124 HydrophobicContact CD1-CB 4.35Å; L92-P124 HydrophobicContact CD2-CB 3.54Å; L92-P124 HydrophobicContact CD2-CG 4.47Å; L92-P124 HydrophobicContact CG-CB 3.93Å; L92-W126 HydrophobicContact CD1-CD2 4.47Å; L92-W126 HydrophobicContact CD1-CE3 4.04Å; L92-W126 HydrophobicContact CD1-CZ3 4.44Å; L92-W126 HydrophobicContact CD2-CD2 4.41Å; L92-W126 HydrophobicContact CD2-CE3 3.88Å; L92-W126 HydrophobicContact CD2-CH2 3.69Å; L92-W126 HydrophobicContact CD2-CZ2 4.22Å; L92-W126 HydrophobicContact CD2-CZ3 3.5Å; L92-W126 VanDerWaalsContact CD2-CZ3 3.5Å; L92-A129 HydrophobicContact CD1-CB 3.6Å; L92-L195 HydrophobicContact CD2-CD1 4.35Å; L92-L205 HydrophobicContact CB-CD1 4.46Å; L92-C206 WeakPolarHBondContact CB-O 3.49Å; L92-C206 PolarHBondContact N-O 2.84Å; L92-A207 HydrophobicContact CD2-CB 4.09Å |
| 93 | Y | 90.6 | Very high | 82.2 | Confident | 81 Ų | 81 | 61.1 Ų | 61.1 | 32% | 0.318 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -86.1 | 145.6 | 174.4 | -66.7 | -91.5 | 0 | 0 | 0 | 110.4 | R103 K105 D125 A128 | Y93-R103 HydrophobicContact CD1-CB 4.3Å; Y93-K105 HydrophobicContact CD1-CG 3.98Å; Y93-K105 HydrophobicContact CE1-CD 4.37Å; Y93-K105 HydrophobicContact CE1-CG 3.67Å; Y93-D125 PolarHBondContact O-N 3.33Å; Y93-A128 HydrophobicContact CD2-CB 4.26Å |
| 94 | F | 90.3 | Very high | 81.9 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 5% | 0.048 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -113.3 | 137 | 172.1 | -62 | -97.8 | 0 | 0 | 0 | 110.2 | R103 M104 P107 P123 P124 I174 A207 F209 | F94-R103 CarbonylContact O-C 3.52Å; F94-R103 WeakPolarHBondContact O-CA 3.43Å; F94-M104 PolarHBondContact N-O 3.35Å; F94-M104 PolarHBondContact O-N 3.28Å; F94-P107 HydrophobicContact CB-CG 4.04Å; F94-P107 HydrophobicContact CD1-CG 4.28Å; F94-P107 HydrophobicContact CD2-CG 3.54Å; F94-P107 HydrophobicContact CE2-CG 3.95Å; F94-P107 HydrophobicContact CG-CG 3.71Å; F94-P107 HydrophobicContact CZ-CG 4.46Å; F94-P123 WeakPolarHBondContact CA-O 3.23Å; F94-P124 HydrophobicContact CD1-CB 4.31Å; F94-P124 HydrophobicContact CD1-CG 4.32Å; F94-P124 HydrophobicContact CE1-CB 4.35Å; F94-P124 HydrophobicContact CE1-CG 4.18Å; F94-I174 HydrophobicContact CE1-CD1 4.26Å; F94-I174 HydrophobicContact CZ-CD1 4.49Å; F94-A207 HydrophobicContact CZ-CB 4.06Å; F94-F209 HydrophobicContact CZ-CD1 4.24Å |
| 95 | G | 85 | Confident | 81.7 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | S | Bend | trans | 155.2 | 173.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | Y97 P123 | G95-Y97 PolarHBondContact O-N 3.03Å; G95-P123 PolarHBondContact N-O 3.25Å |
| 96 | T | 75.8 | Confident | 81.8 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 41% | 0.405 | 34% | 0.341 | S | S | . | . | trans | -64.5 | 123.8 | 174.1 | 32.2 | 0 | 0 | 0 | 0 | 111 | G98 Q99 | T96-G98 PolarHBondContact O-N 2.94Å; T96-Q99 PolarHBondContact O-N 3.27Å; T96-Q99 VanDerWaalsContact O-N 3.14Å; T96-Q99 PolarHBondContact OG1-OE1 3.13Å | ||
| 97 | Y | 67.7 | Low | 82 | Confident | 124 Ų | 124 | 61.4 Ų | 61.4 | 49% | 0.486 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 135.6 | -179.7 | 173.9 | -110.6 | 0 | 0 | 0 | 111.6 | G95 Q99 K127 | G95-Y97 PolarHBondContact O-N 3.03Å; Y97-Q99 VanDerWaalsContact C-N 3.28Å; Y97-Q99 PolarHBondContact O-N 3.44Å; Y97-K127 HydrophobicContact CD2-CD 4.46Å; Y97-K127 HydrophobicContact CE2-CB 3.88Å; Y97-K127 HydrophobicContact CE2-CD 3.6Å; Y97-K127 HydrophobicContact CE2-CG 3.96Å; Y97-K127 PolarHBondContact OH-NZ 3.02Å |
| 98 | G | 64.3 | Low | 82.5 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 57% | 0.567 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.7 | -19.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T96 | T96-G98 PolarHBondContact O-N 2.94Š|
| 99 | Q | 71.1 | Confident | 83.1 | Confident | 106 Ų | 106 | 52.6 Ų | 52.6 | 50% | 0.495 | 28% | 0.282 | S | S | . | . | trans | -87.7 | 127.9 | 174.5 | -65 | -177.2 | -7.8 | 0 | 0 | 110.4 | T96 Y97 R103 | T96-Q99 PolarHBondContact O-N 3.27Å; T96-Q99 VanDerWaalsContact O-N 3.14Å; T96-Q99 PolarHBondContact OG1-OE1 3.13Å; Y97-Q99 VanDerWaalsContact C-N 3.28Å; Y97-Q99 PolarHBondContact O-N 3.44Å; Q99-R103 WeakPolarHBondContact O-CG 3.46Å; Q99-R103 PolarHBondContact O-NE 3.16Å | ||
| 100 | T | 72.6 | Confident | 83.4 | Confident | 102 Ų | 102 | 57.7 Ų | 57.7 | 63% | 0.626 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -85.9 | -41.9 | 172.3 | 49 | 0 | 0 | 0 | 0 | 111.1 | G102 R103 | T100-G102 PolarHBondContact O-N 3.16Å; T100-R103 PolarHBondContact O-N 3.43Å |
| 101 | T | 70.4 | Confident | 83.6 | Confident | 121 Ų | 121 | 51.9 Ų | 51.9 | 74% | 0.742 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | 88.4 | 176.3 | 50.9 | 0 | 0 | 0 | 0 | 111 | ||
| 102 | G | 74.4 | Confident | 83.8 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 56% | 0.557 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 134.8 | -11.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | T100 M104 | T100-G102 PolarHBondContact O-N 3.16Å; G102-M104 PolarHBondContact O-N 3.23Å |
| 103 | R | 82.3 | Confident | 83.8 | Confident | 81 Ų | 81 | 57.1 Ų | 57.1 | 31% | 0.306 | 31% | 0.309 | S | S | . | . | trans | -62.2 | 121.3 | 173.5 | -80.1 | 176.9 | 175.9 | 150.9 | 0.3 | 110.8 | Y93 F94 Q99 T100 D125 | Y93-R103 HydrophobicContact CD1-CB 4.3Å; F94-R103 CarbonylContact O-C 3.52Å; F94-R103 WeakPolarHBondContact O-CA 3.43Å; Q99-R103 WeakPolarHBondContact O-CG 3.46Å; Q99-R103 PolarHBondContact O-NE 3.16Å; T100-R103 PolarHBondContact O-N 3.43Å; R103-D125 IonicContact CZ-OD2 3.18Å; R103-D125 IonicContact NE-OD2 2.9Å; R103-D125 PolarHBondContact NE-OD2 2.94Å; R103-D125 IonicContact NH2-OD2 2.67Å; R103-D125 PolarHBondContact NH2-OD2 3.33Å | ||
| 104 | M | 87.6 | Confident | 83.9 | Confident | 63 Ų | 63 | 57.3 Ų | 57.3 | 31% | 0.31 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -116.9 | 135.4 | -179.6 | -162.3 | 170.2 | -163.7 | 0 | 0 | 111 | P73 F94 G102 P107 | P73-M104 HydrophobicContact CG-CE 3.59Å; F94-M104 PolarHBondContact N-O 3.35Å; F94-M104 PolarHBondContact O-N 3.28Å; G102-M104 PolarHBondContact O-N 3.23Å; M104-P107 HydrophobicContact SD-CB 4.34Å |
| 105 | K | 88.6 | Confident | 83.9 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 26% | 0.261 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -80.8 | -43.1 | 177.7 | -73.6 | 176.5 | -176.8 | 172.1 | 0 | 113.2 | D84 M91 Y93 | D84-K105 WeakPolarHBondContact O-CB 3.38Å; D84-K105 IonicContact OD2-NZ 3.85Å; D84-K105 PolarHBondContact OD2-NZ 3.11Å; M91-K105 HydrophobicContact CE-CB 3.67Å; M91-K105 HydrophobicContact CE-CD 3.65Å; M91-K105 HydrophobicContact CE-CG 3.92Å; Y93-K105 HydrophobicContact CD1-CG 3.98Å; Y93-K105 HydrophobicContact CE1-CD 4.37Å; Y93-K105 HydrophobicContact CE1-CG 3.67Å |
| 106 | L | 91.7 | Very high | 84.2 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -122.8 | 75 | 178.1 | -86.4 | 79.1 | 0 | 0 | 0 | 110.9 | A74 I86 M91 I190 V208 R210 | A74-L106 HydrophobicContact CB-CD2 3.48Å; A74-L106 VanDerWaalsContact CB-CD2 3.48Å; I86-L106 HydrophobicContact CD1-CD1 4.5Å; I86-L106 HydrophobicContact CD1-CD2 3.99Å; M91-L106 HydrophobicContact CE-CD1 3.81Å; M91-L106 HydrophobicContact SD-CD1 3.53Å; M91-L106 VanDerWaalsContact SD-CD1 3.53Å; L106-I190 HydrophobicContact CD2-CD1 4.26Å; L106-V208 HydrophobicContact CD2-CG1 4.47Å; L106-V208 HydrophobicContact CG-CG1 4.22Å; L106-R210 PolarHBondContact O-NE 3.13Å; L106-R210 PolarHBondContact O-NH2 3.48Å |
| 107 | P | 92.6 | Very high | 85 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | trans | -62.2 | 154.2 | 174.6 | 29.9 | -37.1 | 0 | 0 | 0 | 111.9 | F94 M104 V109 L122 F209 R210 | F94-P107 HydrophobicContact CB-CG 4.04Å; F94-P107 HydrophobicContact CD1-CG 4.28Å; F94-P107 HydrophobicContact CD2-CG 3.54Å; F94-P107 HydrophobicContact CE2-CG 3.95Å; F94-P107 HydrophobicContact CG-CG 3.71Å; F94-P107 HydrophobicContact CZ-CG 4.46Å; M104-P107 HydrophobicContact SD-CB 4.34Å; P107-V109 HydrophobicContact CB-CG1 4.29Å; P107-V109 HydrophobicContact CG-CG1 4.24Å; P107-L122 HydrophobicContact CB-CD1 4.18Å; P107-F209 HydrophobicContact CG-CB 4.13Å; P107-R210 PolarHBondContact O-N 3.15Å | ||
| 108 | T | 93.1 | Very high | 86.1 | Confident | 7 Ų | 7 | 56.8 Ų | 56.8 | 4% | 0.043 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 120.7 | 167.2 | -48.3 | 0 | 0 | 0 | 0 | 108.7 | F33 R210 I212 | F33-T108 WeakPolarHBondContact CD2-O 3.44Å; F33-T108 WeakPolarHBondContact CE2-O 3.35Å; T108-R210 CarbonylContact C-O 3.6Å; T108-R210 WeakPolarHBondContact CA-O 3.43Å; T108-R210 PolarHBondContact OG1-NH1 2.84Å; T108-R210 PolarHBondContact OG1-NH2 2.89Å; T108-I212 HydrophobicContact CG2-CD1 4.45Å; T108-I212 HydrophobicContact CG2-CG1 3.52Å |
| 109 | V | 93.6 | Very high | 87.2 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 151.3 | -175.2 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | P107 V118 F209 R210 V211 I212 | P107-V109 HydrophobicContact CB-CG1 4.29Å; P107-V109 HydrophobicContact CG-CG1 4.24Å; V109-V118 HydrophobicContact CB-CG1 4.09Å; V109-V118 HydrophobicContact CG1-CG1 4.43Å; V109-V118 HydrophobicContact CG2-CG1 3.99Å; V109-F209 HydrophobicContact CG1-CB 4.08Å; V109-F209 HydrophobicContact CG1-CG 4.48Å; V109-F209 HydrophobicContact CG2-CB 3.96Å; V109-F209 HydrophobicContact CG2-CD2 3.31Å; V109-F209 HydrophobicContact CG2-CE2 3.94Å; V109-F209 HydrophobicContact CG2-CG 3.77Å; V109-R210 PolarHBondContact N-O 2.85Å; V109-V211 WeakPolarHBondContact O-CA 3.44Å; V109-I212 WeakPolarHBondContact O-CG1 3.33Å; V109-I212 PolarHBondContact O-N 3.15Å |
| 110 | F | 92.5 | Very high | 87.9 | Confident | 129 Ų | 129 | 54 Ų | 54 | 57% | 0.566 | 31% | 0.309 | S | S | * | . | trans | -93.2 | 134.5 | 164.8 | -173.8 | -111 | 0 | 0 | 0 | 109.3 | P112 I212 | F110-P112 WeakPolarHBondContact O-CD 3.18Å; F110-I212 HydrophobicContact CB-CD1 4.17Å | ||
| 111 | L | 92.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | trans | -79.3 | 117.9 | 167.8 | -69.3 | 178.6 | 0 | 0 | 0 | 108.3 | F163 W176 Q183 L186 F209 V211 | L111-F163 HydrophobicContact CD2-CE1 3.73Å; L111-F163 HydrophobicContact CD2-CZ 3.82Å; L111-W176 HydrophobicContact CD1-CH2 4.02Å; L111-W176 HydrophobicContact CD1-CZ2 4.29Å; L111-W176 HydrophobicContact CD1-CZ3 4.18Å; L111-W176 HydrophobicContact CD2-CD2 4.26Å; L111-W176 HydrophobicContact CD2-CE3 4.04Å; L111-W176 HydrophobicContact CD2-CZ3 4.33Å; L111-Q183 HydrophobicContact CB-CG 3.96Å; L111-Q183 PolarHBondContact O-NE2 3.09Å; L111-L186 HydrophobicContact CD1-CB 3.66Å; L111-L186 HydrophobicContact CD1-CD1 4.16Å; L111-F209 HydrophobicContact CD2-CE2 4.38Å; L111-V211 HydrophobicContact CD1-CG1 3.96Å; L111-V211 HydrophobicContact CD1-CG2 4.04Å; L111-V211 HydrophobicContact CD2-CG2 4.49Å; L111-V211 HydrophobicContact CG-CG1 3.86Å; L111-V211 HydrophobicContact CG-CG2 4.06Å | ||
| 112 | P | 92.1 | Very high | 89.2 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | trans | -81.7 | -164.6 | -171.3 | 38 | -40.3 | 0 | 0 | 0 | 111.8 | F110 Q116 W176 Q183 | F110-P112 WeakPolarHBondContact O-CD 3.18Å; P112-Q116 HydrophobicContact CB-CB 3.76Å; P112-Q116 HydrophobicContact CG-CB 3.72Å; P112-W176 HydrophobicContact CG-CB 3.96Å; P112-W176 HydrophobicContact CG-CG 4.4Å; P112-W176 PolarHBondContact O-NE1 3.38Å; P112-Q183 PolarHBondContact O-NE2 3.31Å | ||
| 113 | L | 90.6 | Very high | 89.8 | Confident | 117 Ų | 117 | 48.2 Ų | 48.2 | 61% | 0.613 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -70.1 | 155.5 | 167.3 | -64.5 | 176.3 | 0 | 0 | 0 | 110.6 | G115 Q116 | L113-G115 PolarHBondContact O-N 2.86Å; L113-Q116 HydrophobicContact CB-CG 4.49Å; L113-Q116 WeakPolarHBondContact O-CB 3.45Å; L113-Q116 PolarHBondContact O-N 3.16Å; L113-Q116 VanDerWaalsContact O-N 3.15Å |
| 114 | T | 92.1 | Very high | 90.2 | Very high | 85 Ų | 85 | 44.9 Ų | 44.9 | 52% | 0.521 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 130.3 | 175.6 | -45.9 | 0 | 0 | 0 | 0 | 111.3 | L177 G178 | T114-L177 WeakPolarHBondContact CG2-O 3.33Å; T114-G178 PolarHBondContact OG1-O 3.38Å |
| 115 | G | 90.6 | Very high | 90.2 | Very high | 36 Ų | 36 | 42 Ų | 42 | 37% | 0.371 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | -0.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | L113 Q175 W176 | L113-G115 PolarHBondContact O-N 2.86Å; G115-Q175 PolarHBondContact O-NE2 3.46Å; G115-W176 WeakPolarHBondContact CA-O 3.35Å; G115-W176 PolarHBondContact N-O 3.12Å |
| 116 | Q | 92.8 | Very high | 90.2 | Very high | 96 Ų | 96 | 39.8 Ų | 39.8 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -101.3 | 157 | -177.7 | -62.9 | -178.8 | -13.4 | 0 | 0 | 113.1 | P112 L113 W176 | P112-Q116 HydrophobicContact CB-CB 3.76Å; P112-Q116 HydrophobicContact CG-CB 3.72Å; L113-Q116 HydrophobicContact CB-CG 4.49Å; L113-Q116 WeakPolarHBondContact O-CB 3.45Å; L113-Q116 PolarHBondContact O-N 3.16Å; L113-Q116 VanDerWaalsContact O-N 3.15Å; Q116-W176 PolarHBondContact O-N 3.01Å |
| 117 | I | 91.6 | Very high | 89.7 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 23% | 0.231 | 25% | 0.25 | C | S | . | . | B | Isolated β-bridge | trans | -71.7 | 134.2 | 177.4 | -69.5 | 168 | 0 | 0 | 0 | 110.7 | S119 P120 L166 H173 | I117-S119 PolarHBondContact O-N 2.9Å; I117-P120 HydrophobicContact CG2-CB 3.93Å; I117-L166 HydrophobicContact CD1-CD2 4.4Å; I117-L166 HydrophobicContact CG1-CD2 4.24Å; I117-H173 HydrophobicContact CD1-CB 3.99Å; I117-H173 HydrophobicContact CG1-CB 4.04Å; I117-H173 HydrophobicContact CG2-CB 3.85Å |
| 118 | V | 91.4 | Very high | 89.3 | Confident | 14 Ų | 14 | 46.1 Ų | 46.1 | 9% | 0.085 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -74.5 | 118.9 | 172.6 | -176.8 | 0 | 0 | 0 | 0 | 109 | V109 F163 I174 W176 | V109-V118 HydrophobicContact CB-CG1 4.09Å; V109-V118 HydrophobicContact CG1-CG1 4.43Å; V109-V118 HydrophobicContact CG2-CG1 3.99Å; V118-F163 HydrophobicContact CG2-CD1 4.09Å; V118-F163 HydrophobicContact CG2-CE1 3.93Å; V118-I174 HydrophobicContact CG2-CG2 4.27Å; V118-I174 PolarHBondContact N-O 2.86Å; V118-W176 HydrophobicContact CG2-CB 3.84Å |
| 119 | S | 86.2 | Confident | 88.7 | Confident | 18 Ų | 18 | 46 Ų | 46 | 13% | 0.126 | 26% | 0.264 | C | S | . | . | trans | 48.7 | 61.9 | 174.4 | -165 | 0 | 0 | 0 | 0 | 115.1 | I117 S121 L122 | I117-S119 PolarHBondContact O-N 2.9Å; S119-S121 PolarHBondContact O-N 2.99Å; S119-L122 CarbonylContact O-C 3.54Å; S119-L122 PolarHBondContact O-N 3.36Å | ||
| 120 | P | 85.7 | Confident | 88.1 | Confident | 85 Ų | 85 | 48.3 Ų | 48.3 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.7 | -175 | 24.8 | -35.2 | 0 | 0 | 0 | 114.8 | I117 L122 | I117-P120 HydrophobicContact CG2-CB 3.93Å; P120-L122 VanDerWaalsContact C-N 3.32Å |
| 121 | S | 84.3 | Confident | 87.6 | Confident | 89 Ų | 89 | 42.8 Ų | 42.8 | 62% | 0.622 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -11.6 | 174.4 | 53 | 0 | 0 | 0 | 0 | 114.8 | S119 | S119-S121 PolarHBondContact O-N 2.99Š|
| 122 | L | 86.8 | Confident | 87.2 | Confident | 43 Ų | 43 | 50 Ų | 50 | 23% | 0.225 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -131.9 | 72.4 | 178.8 | -70.3 | 171.6 | 0 | 0 | 0 | 109.1 | P107 S119 P120 | P107-L122 HydrophobicContact CB-CD1 4.18Å; S119-L122 CarbonylContact O-C 3.54Å; S119-L122 PolarHBondContact O-N 3.36Å; P120-L122 VanDerWaalsContact C-N 3.32Å |
| 123 | P | 88 | Confident | 86.8 | Confident | 23 Ų | 23 | 52.2 Ų | 52.2 | 15% | 0.149 | 31% | 0.307 | C | S | . | . | trans | -64.7 | 157.9 | 179.3 | 28.4 | -34.8 | 0 | 0 | 0 | 111.6 | F94 G95 | F94-P123 WeakPolarHBondContact CA-O 3.23Å; G95-P123 PolarHBondContact N-O 3.25Å | ||
| 124 | P | 89.9 | Confident | 86.4 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 8% | 0.078 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -75.3 | 134.3 | 174.9 | -6.9 | 23.9 | 0 | 0 | 0 | 111.4 | L92 F94 W126 I174 | L92-P124 HydrophobicContact CD1-CB 4.35Å; L92-P124 HydrophobicContact CD2-CB 3.54Å; L92-P124 HydrophobicContact CD2-CG 4.47Å; L92-P124 HydrophobicContact CG-CB 3.93Å; F94-P124 HydrophobicContact CD1-CB 4.31Å; F94-P124 HydrophobicContact CD1-CG 4.32Å; F94-P124 HydrophobicContact CE1-CB 4.35Å; F94-P124 HydrophobicContact CE1-CG 4.18Å; P124-W126 HydrophobicContact CB-CD2 4.36Å; P124-W126 HydrophobicContact CB-CZ2 3.93Å; P124-W126 HydrophobicContact CG-CZ2 3.87Å; P124-W126 VanDerWaalsContact O-CD1 3.24Å; P124-W126 PolarHBondContact O-N 3.18Å; P124-I174 HydrophobicContact CG-CD1 4.34Å; P124-I174 HydrophobicContact CG-CG1 4.27Å |
| 125 | D | 88.2 | Confident | 85.8 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | trans | -90.2 | 78.8 | 176.9 | -167.1 | -23.8 | 0 | 0 | 0 | 110.3 | Y93 R103 K127 A128 A129 | Y93-D125 PolarHBondContact O-N 3.33Å; R103-D125 IonicContact CZ-OD2 3.18Å; R103-D125 IonicContact NE-OD2 2.9Å; R103-D125 PolarHBondContact NE-OD2 2.94Å; R103-D125 IonicContact NH2-OD2 2.67Å; R103-D125 PolarHBondContact NH2-OD2 3.33Å; D125-K127 PolarHBondContact O-N 3.05Å; D125-K127 PolarHBondContact OD1-N 2.87Å; D125-A128 HydrophobicContact CB-CB 3.92Å; D125-A128 VanDerWaalsContact CG-CB 3.4Å; D125-A128 PolarHBondContact O-N 3.23Å; D125-A128 VanDerWaalsContact O-N 3.14Å; D125-A128 WeakPolarHBondContact OD1-CB 3.34Å; D125-A128 PolarHBondContact OD1-N 2.76Å; D125-A129 PolarHBondContact O-N 2.97Å | ||
| 126 | W | 87.1 | Confident | 85.2 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 5% | 0.045 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -35.8 | 179.7 | -58.3 | 106.3 | 0 | 0 | 0 | 113.4 | L92 P124 A129 G130 V131 L133 V139 L165 T172 L195 L205 | L92-W126 HydrophobicContact CD1-CD2 4.47Å; L92-W126 HydrophobicContact CD1-CE3 4.04Å; L92-W126 HydrophobicContact CD1-CZ3 4.44Å; L92-W126 HydrophobicContact CD2-CD2 4.41Å; L92-W126 HydrophobicContact CD2-CE3 3.88Å; L92-W126 HydrophobicContact CD2-CH2 3.69Å; L92-W126 HydrophobicContact CD2-CZ2 4.22Å; L92-W126 HydrophobicContact CD2-CZ3 3.5Å; L92-W126 VanDerWaalsContact CD2-CZ3 3.5Å; P124-W126 HydrophobicContact CB-CD2 4.36Å; P124-W126 HydrophobicContact CB-CZ2 3.93Å; P124-W126 HydrophobicContact CG-CZ2 3.87Å; P124-W126 VanDerWaalsContact O-CD1 3.24Å; P124-W126 PolarHBondContact O-N 3.18Å; W126-A129 WeakPolarHBondContact O-CB 3.37Å; W126-A129 PolarHBondContact O-N 3.19Å; W126-G130 PolarHBondContact O-N 3.14Å; W126-V131 WeakPolarHBondContact O-CB 3.32Å; W126-V131 PolarHBondContact O-N 2.93Å; W126-L133 HydrophobicContact CB-CD2 4.26Å; W126-V139 HydrophobicContact CB-CG2 4.17Å; W126-V139 HydrophobicContact CD2-CB 4.47Å; W126-V139 HydrophobicContact CD2-CG1 4.1Å; W126-V139 HydrophobicContact CD2-CG2 3.59Å; W126-V139 HydrophobicContact CE3-CG1 3.79Å; W126-V139 HydrophobicContact CE3-CG2 4.15Å; W126-V139 HydrophobicContact CG-CG2 3.57Å; W126-V139 HydrophobicContact CH2-CG1 4.41Å; W126-V139 HydrophobicContact CZ2-CG2 4.5Å; W126-V139 HydrophobicContact CZ3-CG1 3.96Å; W126-L165 HydrophobicContact CH2-CD1 4.31Å; W126-L165 HydrophobicContact CH2-CD2 3.92Å; W126-L165 HydrophobicContact CZ2-CD2 4.11Å; W126-T172 HydrophobicContact CZ2-CG2 4.03Å; W126-T172 PolarHBondContact NE1-O 3.4Å; W126-L195 HydrophobicContact CH2-CD1 3.77Å; W126-L195 HydrophobicContact CZ3-CD1 3.66Å; W126-L205 HydrophobicContact CZ3-CD2 4.36Å |
| 127 | K | 82.6 | Confident | 84.6 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 44% | 0.443 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -33.4 | -179.3 | -48.2 | -162.1 | -150.3 | 176.9 | 0 | 111.7 | Y97 D125 A129 G130 | Y97-K127 HydrophobicContact CD2-CD 4.46Å; Y97-K127 HydrophobicContact CE2-CB 3.88Å; Y97-K127 HydrophobicContact CE2-CD 3.6Å; Y97-K127 HydrophobicContact CE2-CG 3.96Å; Y97-K127 PolarHBondContact OH-NZ 3.02Å; D125-K127 PolarHBondContact O-N 3.05Å; D125-K127 PolarHBondContact OD1-N 2.87Å; K127-A129 VanDerWaalsContact C-N 3.25Å; K127-A129 PolarHBondContact O-N 3.05Å; K127-G130 WeakPolarHBondContact O-CA 3.42Å; K127-G130 PolarHBondContact O-N 3.1Å |
| 128 | A | 82.6 | Confident | 84.3 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 29% | 0.289 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -26.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y93 D125 G130 | Y93-A128 HydrophobicContact CD2-CB 4.26Å; D125-A128 HydrophobicContact CB-CB 3.92Å; D125-A128 VanDerWaalsContact CG-CB 3.4Å; D125-A128 PolarHBondContact O-N 3.23Å; D125-A128 VanDerWaalsContact O-N 3.14Å; D125-A128 WeakPolarHBondContact OD1-CB 3.34Å; D125-A128 PolarHBondContact OD1-N 2.76Å; A128-G130 PolarHBondContact O-N 3.43Å |
| 129 | A | 81.4 | Confident | 84.1 | Confident | 5 Ų | 5 | 54.3 Ų | 54.3 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -11.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R90 L92 D125 W126 K127 V131 L205 | R90-A129 VanDerWaalsContact CZ-O 3.27Å; R90-A129 PolarHBondContact NE-O 3.47Å; R90-A129 PolarHBondContact NH2-O 2.96Å; L92-A129 HydrophobicContact CD1-CB 3.6Å; D125-A129 PolarHBondContact O-N 2.97Å; W126-A129 WeakPolarHBondContact O-CB 3.37Å; W126-A129 PolarHBondContact O-N 3.19Å; K127-A129 VanDerWaalsContact C-N 3.25Å; K127-A129 PolarHBondContact O-N 3.05Å; A129-V131 HydrophobicContact CB-CG2 4.35Å; A129-L205 HydrophobicContact CB-CD1 3.76Å |
| 130 | G | 80.3 | Confident | 84.1 | Confident | 51 Ų | 51 | 55.2 Ų | 55.2 | 53% | 0.526 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 7.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | W126 K127 A128 | W126-G130 PolarHBondContact O-N 3.14Å; K127-G130 WeakPolarHBondContact O-CA 3.42Å; K127-G130 PolarHBondContact O-N 3.1Å; A128-G130 PolarHBondContact O-N 3.43Å |
| 131 | V | 83.5 | Confident | 84.3 | Confident | 13 Ų | 13 | 52 Ų | 52 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 126.2 | 177.2 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | W126 A129 V139 P140 L205 | W126-V131 WeakPolarHBondContact O-CB 3.32Å; W126-V131 PolarHBondContact O-N 2.93Å; A129-V131 HydrophobicContact CB-CG2 4.35Å; V131-V139 HydrophobicContact CG1-CG1 4.21Å; V131-P140 HydrophobicContact CG1-CG 4.41Å; V131-L205 HydrophobicContact CG2-CD2 3.95Å |
| 132 | K | 83.3 | Confident | 84.5 | Confident | 152 Ų | 152 | 50.6 Ų | 50.6 | 66% | 0.661 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -73.8 | 136.7 | 169.2 | -63.9 | 171.9 | -172.2 | 163.4 | 0 | 108.5 | P140 | K132-P140 WeakPolarHBondContact O-CD 3.46Å; K132-P140 WeakPolarHBondContact O-CG 3.26Å |
| 133 | L | 83.1 | Confident | 84.6 | Confident | 60 Ų | 60 | 50.9 Ų | 50.9 | 31% | 0.314 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 147.6 | 169.1 | -59.6 | 178.9 | 0 | 0 | 0 | 108.8 | W126 N138 V139 | W126-L133 HydrophobicContact CB-CD2 4.26Å; L133-N138 WeakPolarHBondContact CA-O 3.45Å; L133-V139 HydrophobicContact CD2-CB 4.47Å; L133-V139 HydrophobicContact CD2-CG2 3.42Å; L133-V139 VanDerWaalsContact CD2-CG2 3.42Å |
| 134 | D | 82.8 | Confident | 84.7 | Confident | 85 Ų | 85 | 53.4 Ų | 53.4 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -68 | 164.3 | 165.3 | -169.2 | 15.3 | 0 | 0 | 0 | 110.5 | D136 G137 N138 | D134-D136 PolarHBondContact O-N 3.38Å; D134-G137 WeakPolarHBondContact O-CA 3.39Å; D134-G137 PolarHBondContact O-N 3.45Å; D134-N138 HydrophobicContact CB-CB 3.99Å; D134-N138 WeakPolarHBondContact CB-O 3.49Å; D134-N138 PolarHBondContact N-O 3.47Å |
| 135 | D | 79.6 | Confident | 84.7 | Confident | 169 Ų | 169 | 55.1 Ų | 55.1 | 90% | 0.904 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -30.6 | -175.5 | -76.4 | -30.8 | 0 | 0 | 0 | 112.5 | G137 | D135-G137 PolarHBondContact O-N 2.83Š|
| 136 | D | 78.8 | Confident | 84.9 | Confident | 104 Ų | 104 | 55.1 Ų | 55.1 | 56% | 0.556 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -9.3 | 172.5 | -81.5 | -17.3 | 0 | 0 | 0 | 114.2 | D134 N138 N167 H170 | D134-D136 PolarHBondContact O-N 3.38Å; D136-N138 VanDerWaalsContact C-N 3.29Å; D136-N138 VanDerWaalsContact CB-ND2 3.26Å; D136-N138 WeakPolarHBondContact CB-ND2 3.38Å; D136-N138 PolarHBondContact OD2-ND2 2.79Å; D136-N167 PolarHBondContact O-ND2 3.48Å; D136-H170 PolarHBondContact O-ND1 2.93Å |
| 137 | G | 79.4 | Confident | 85.1 | Confident | 9 Ų | 9 | 54.9 Ų | 54.9 | 9% | 0.093 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 79.7 | 8.9 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D134 D135 | D134-G137 WeakPolarHBondContact O-CA 3.39Å; D134-G137 PolarHBondContact O-N 3.45Å; D135-G137 PolarHBondContact O-N 2.83Å |
| 138 | N | 84.4 | Confident | 85.6 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | trans | -66.1 | 146.4 | 172 | -65.4 | -44.3 | 0 | 0 | 0 | 110.5 | L133 D134 D136 N167 | L133-N138 WeakPolarHBondContact CA-O 3.45Å; D134-N138 HydrophobicContact CB-CB 3.99Å; D134-N138 WeakPolarHBondContact CB-O 3.49Å; D134-N138 PolarHBondContact N-O 3.47Å; D136-N138 VanDerWaalsContact C-N 3.29Å; D136-N138 VanDerWaalsContact CB-ND2 3.26Å; D136-N138 WeakPolarHBondContact CB-ND2 3.38Å; D136-N138 PolarHBondContact OD2-ND2 2.79Å; N138-N167 PolarHBondContact OD1-ND2 3.32Å | ||
| 139 | V | 87.3 | Confident | 86 | Confident | 15 Ų | 15 | 49 Ų | 49 | 9% | 0.091 | 29% | 0.292 | C | S | . | . | trans | -92.3 | 121.1 | 169.2 | 167.8 | 0 | 0 | 0 | 0 | 108.3 | W126 V131 L133 C141 T172 | W126-V139 HydrophobicContact CB-CG2 4.17Å; W126-V139 HydrophobicContact CD2-CB 4.47Å; W126-V139 HydrophobicContact CD2-CG1 4.1Å; W126-V139 HydrophobicContact CD2-CG2 3.59Å; W126-V139 HydrophobicContact CE3-CG1 3.79Å; W126-V139 HydrophobicContact CE3-CG2 4.15Å; W126-V139 HydrophobicContact CG-CG2 3.57Å; W126-V139 HydrophobicContact CH2-CG1 4.41Å; W126-V139 HydrophobicContact CZ2-CG2 4.5Å; W126-V139 HydrophobicContact CZ3-CG1 3.96Å; V131-V139 HydrophobicContact CG1-CG1 4.21Å; L133-V139 HydrophobicContact CD2-CB 4.47Å; L133-V139 HydrophobicContact CD2-CG2 3.42Å; L133-V139 VanDerWaalsContact CD2-CG2 3.42Å; V139-C141 HydrophobicContact CG1-CB 3.77Å; V139-C141 WeakPolarHBondContact CG1-SG 3.46Å; V139-C141 PolarHBondContact O-N 3.48Å; V139-T172 HydrophobicContact CB-CG2 4.06Å; V139-T172 HydrophobicContact CG2-CG2 4.01Å; V139-T172 WeakPolarHBondContact CG2-OG1 3.33Å; V139-T172 PolarHBondContact N-OG1 3.3Å | ||
| 140 | P | 87 | Confident | 86.3 | Confident | 36 Ų | 36 | 49.3 Ų | 49.3 | 23% | 0.234 | 29% | 0.293 | C | S | . | . | trans | -78.6 | 58.1 | 179.3 | 33.7 | -36.5 | 0 | 0 | 0 | 111.4 | V131 K132 C197 Q198 | V131-P140 HydrophobicContact CG1-CG 4.41Å; K132-P140 WeakPolarHBondContact O-CD 3.46Å; K132-P140 WeakPolarHBondContact O-CG 3.26Å; P140-C197 CarbonylContact O-C 3.55Å; P140-C197 WeakPolarHBondContact O-CA 3.43Å; P140-Q198 HydrophobicContact CB-CB 4.38Å; P140-Q198 PolarHBondContact O-N 2.98Å | ||
| 141 | C | 89.3 | Confident | 86.5 | Confident | 18 Ų | 18 | 51 Ų | 51 | 12% | 0.122 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.4 | 177.1 | -49.1 | 0 | 0 | 0 | 0 | 111.4 | V139 L165 Q196 C197 | V139-C141 HydrophobicContact CG1-CB 3.77Å; V139-C141 WeakPolarHBondContact CG1-SG 3.46Å; V139-C141 PolarHBondContact O-N 3.48Å; C141-L165 HydrophobicContact CB-CD1 4.47Å; C141-L165 WeakPolarHBondContact O-CD1 3.43Å; C141-Q196 CarbonylContact C-O 3.58Å; C141-Q196 VanDerWaalsContact CA-O 3.24Å; C141-Q196 WeakPolarHBondContact CA-O 3.24Å; C141-C197 HydrophobicContact CB-CB 4Å; C141-C197 WeakPolarHBondContact CB-SG 3.49Å; C141-C197 WeakPolarHBondContact SG-CB 3.29Å; C141-C197 CovalentContact SG-SG 2.03Å; C141-C197 PolarHBondContact SG-SG 3.01Å |
| 142 | A | 88.6 | Confident | 86.6 | Confident | 59 Ų | 59 | 54.7 Ų | 54.7 | 49% | 0.488 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 156.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111 | L195 Q196 | A142-L195 CarbonylContact O-C 3.6Å; A142-L195 WeakPolarHBondContact O-CA 3.41Å; A142-Q196 PolarHBondContact N-O 3.47Å; A142-Q196 PolarHBondContact O-N 3.35Å |
| 143 | L | 90.4 | Very high | 86.8 | Confident | 49 Ų | 49 | 48.2 Ų | 48.2 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 131.2 | 165.2 | -93.5 | 78.2 | 0 | 0 | 0 | 109.9 | I146 F163 L165 I193 L195 | L143-I146 HydrophobicContact CD2-CD1 4.45Å; L143-I146 HydrophobicContact CD2-CG1 4.26Å; L143-F163 HydrophobicContact CD2-CB 3.94Å; L143-L165 HydrophobicContact CD1-CD2 4.23Å; L143-L165 HydrophobicContact CD1-CG 3.89Å; L143-I193 HydrophobicContact CD1-CG2 4.16Å; L143-I193 HydrophobicContact CD2-CG2 3.51Å; L143-I193 HydrophobicContact CG-CG2 3.51Å; L143-L195 HydrophobicContact CD1-CD2 3.66Å; L143-L195 HydrophobicContact CG-CD2 3.88Å |
| 144 | S | 88.3 | Confident | 87.1 | Confident | 76 Ų | 76 | 48.5 Ų | 48.5 | 53% | 0.531 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | -46.5 | 175.2 | -177.8 | 0 | 0 | 0 | 0 | 111.2 | S194 | S144-S194 PolarHBondContact N-O 2.9Å |
| 145 | S | 90.1 | Very high | 87.5 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 165.2 | -179.1 | 59 | 0 | 0 | 0 | 0 | 111.8 | S194 | S145-S194 PolarHBondContact O-N 3.48Å; S145-S194 VanDerWaalsContact OG-CB 3.32Å; S145-S194 WeakPolarHBondContact OG-CB 3.44Å; S145-S194 PolarHBondContact OG-OG 3.35Å |
| 146 | I | 92.7 | Very high | 88 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 136.1 | 169.6 | -48.7 | 164.2 | 0 | 0 | 0 | 107.6 | L143 L157 A160 L162 F163 V191 E192 I193 | L143-I146 HydrophobicContact CD2-CD1 4.45Å; L143-I146 HydrophobicContact CD2-CG1 4.26Å; I146-L157 HydrophobicContact CB-CD1 4.13Å; I146-L157 HydrophobicContact CG2-CD1 3.77Å; I146-L157 HydrophobicContact CG2-CD2 4.27Å; I146-L157 WeakPolarHBondContact O-CD1 3.13Å; I146-L157 PolarHBondContact O-N 3.34Å; I146-A160 WeakPolarHBondContact CD1-O 3.33Å; I146-L162 HydrophobicContact CD1-CB 4.07Å; I146-F163 HydrophobicContact CD1-CD2 3.68Å; I146-F163 HydrophobicContact CD1-CE2 4.39Å; I146-F163 HydrophobicContact CG1-CD2 4.26Å; I146-F163 HydrophobicContact CG2-CD2 4.22Å; I146-F163 HydrophobicContact CG2-CE2 4.09Å; I146-V191 HydrophobicContact CG2-CG1 3.85Å; I146-E192 CarbonylContact C-O 3.54Å; I146-E192 VanDerWaalsContact CA-O 3.32Å; I146-E192 WeakPolarHBondContact CA-O 3.38Å; I146-E192 WeakPolarHBondContact CG2-O 3.06Å; I146-I193 HydrophobicContact CG2-CG1 4.32Å |
| 147 | G | 92.3 | Very high | 88.5 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 6% | 0.062 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 161.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I155 L157 V191 E192 | G147-I155 CarbonylContact C-O 3.52Å; G147-I155 VanDerWaalsContact CA-O 3.29Å; G147-I155 WeakPolarHBondContact CA-O 3.22Å; G147-L157 VanDerWaalsContact C-CD1 3.49Å; G147-V191 WeakPolarHBondContact O-CA 3.44Å; G147-E192 PolarHBondContact N-O 3.39Å; G147-E192 PolarHBondContact O-N 3.04Å |
| 148 | Y | 92.7 | Very high | 88.7 | Confident | 14 Ų | 14 | 46.4 Ų | 46.4 | 6% | 0.055 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 145.4 | 163.2 | 66.3 | -97 | 0 | 0 | 0 | 112.1 | T150 I155 L157 L186 K189 I190 E220 | Y148-T150 HydrophobicContact CD2-CG2 3.58Å; Y148-T150 HydrophobicContact CE2-CG2 3.39Å; Y148-I155 HydrophobicContact CD2-CB 4.41Å; Y148-I155 HydrophobicContact CE1-CB 4.24Å; Y148-I155 HydrophobicContact CE1-CG2 4.11Å; Y148-I155 HydrophobicContact CE2-CB 4.06Å; Y148-I155 HydrophobicContact CE2-CD1 4.12Å; Y148-I155 HydrophobicContact CE2-CG1 4.44Å; Y148-I155 PolarHBondContact N-O 2.88Å; Y148-I155 PolarHBondContact O-N 3.15Å; Y148-L157 HydrophobicContact CD1-CD1 3.63Å; Y148-L157 HydrophobicContact CD1-CG 4Å; Y148-L157 HydrophobicContact CE1-CD1 4.41Å; Y148-L157 HydrophobicContact CE1-CG 4.39Å; Y148-L186 HydrophobicContact CD1-CD2 4.05Å; Y148-L186 HydrophobicContact CG-CD2 4.29Å; Y148-K189 HydrophobicContact CD2-CD 3.53Å; Y148-K189 HydrophobicContact CE2-CD 3.93Å; Y148-K189 HydrophobicContact CG-CD 4.02Å; Y148-I190 CarbonylContact C-O 3.14Å; Y148-I190 WeakPolarHBondContact CA-O 3.47Å; Y148-I190 WeakPolarHBondContact CB-O 3.45Å; Y148-E220 PolarHBondContact OH-OE1 3.39Å; Y148-E220 PolarHBondContact OH-OE2 3.47Å |
| 149 | L | 90.5 | Very high | 88.6 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 136.6 | -179.6 | -166.4 | 71 | 0 | 0 | 0 | 111.8 | L76 H78 W154 I190 | L76-L149 HydrophobicContact CB-CD2 4.42Å; L76-L149 HydrophobicContact CD2-CD2 3.98Å; H78-L149 WeakPolarHBondContact ND1-CD1 3.04Å; H78-L149 WeakPolarHBondContact ND1-CD2 3.38Å; L149-W154 HydrophobicContact CB-CD2 4.38Å; L149-W154 HydrophobicContact CB-CE3 3.9Å; L149-W154 HydrophobicContact CB-CH2 3.95Å; L149-W154 HydrophobicContact CB-CZ2 4.4Å; L149-W154 HydrophobicContact CB-CZ3 3.68Å; L149-W154 HydrophobicContact CD1-CD2 3.68Å; L149-W154 HydrophobicContact CD1-CE3 4.08Å; L149-W154 HydrophobicContact CD1-CG 4.06Å; L149-W154 HydrophobicContact CD1-CH2 4.35Å; L149-W154 HydrophobicContact CD1-CZ2 3.95Å; L149-W154 HydrophobicContact CD1-CZ3 4.41Å; L149-I190 HydrophobicContact CB-CB 3.87Å; L149-I190 HydrophobicContact CB-CG1 4.39Å; L149-I190 HydrophobicContact CD2-CD1 3.78Å; L149-I190 HydrophobicContact CD2-CG1 4.45Å; L149-I190 PolarHBondContact N-O 3.19Å |
| 150 | T | 88.3 | Confident | 88.2 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | -178.3 | 174.9 | 67 | 0 | 0 | 0 | 0 | 112 | Y148 S152 G153 I155 | Y148-T150 HydrophobicContact CD2-CG2 3.58Å; Y148-T150 HydrophobicContact CE2-CG2 3.39Å; T150-S152 PolarHBondContact O-N 2.77Å; T150-S152 PolarHBondContact OG1-N 3.42Å; T150-S152 PolarHBondContact OG1-OG 2.94Å; T150-G153 PolarHBondContact N-O 2.84Å; T150-G153 PolarHBondContact O-N 3.47Å; T150-G153 PolarHBondContact OG1-O 2.81Å; T150-I155 HydrophobicContact CG2-CD1 3.57Å; T150-I155 HydrophobicContact CG2-CG1 3.92Å |
| 151 | H | 84.3 | Confident | 88.2 | Confident | 85 Ų | 85 | 54.3 Ų | 54.3 | 39% | 0.394 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22 | 172.2 | 66.9 | -112.8 | 0 | 0 | 0 | 114.1 | Q77 E217 | Q77-H151 VanDerWaalsContact OE1-N 3.09Å; H151-E217 IonicContact CE1-OE1 2.89Å; H151-E217 PolarHBondContact CE1-OE1 2.9Å; H151-E217 IonicContact ND1-OE1 3.69Å; H151-E217 PolarHBondContact ND1-OE1 2.92Å |
| 152 | S | 84.7 | Confident | 88.4 | Confident | 92 Ų | 92 | 54 Ų | 54 | 64% | 0.643 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -6.7 | 178.6 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | T150 | T150-S152 PolarHBondContact O-N 2.77Å; T150-S152 PolarHBondContact OG1-N 3.42Å; T150-S152 PolarHBondContact OG1-OG 2.94Å |
| 153 | G | 87.5 | Confident | 88.6 | Confident | 15 Ų | 15 | 51.5 Ų | 51.5 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.8 | -156.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T150 | T150-G153 PolarHBondContact N-O 2.84Å; T150-G153 PolarHBondContact O-N 3.47Å; T150-G153 PolarHBondContact OG1-O 2.81Å |
| 154 | W | 89.8 | Confident | 88.7 | Confident | 66 Ų | 66 | 51.5 Ų | 51.5 | 25% | 0.25 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 131.2 | 176.3 | -64.4 | 106.9 | 0 | 0 | 0 | 111.6 | I86 D88 L149 I190 E192 V208 | I86-W154 HydrophobicContact CD1-CH2 3.96Å; I86-W154 HydrophobicContact CD1-CZ2 3.76Å; I86-W154 HydrophobicContact CG1-CZ2 4.27Å; I86-W154 HydrophobicContact CG2-CZ2 4.1Å; D88-W154 PolarHBondContact OD2-NE1 2.81Å; L149-W154 HydrophobicContact CB-CD2 4.38Å; L149-W154 HydrophobicContact CB-CE3 3.9Å; L149-W154 HydrophobicContact CB-CH2 3.95Å; L149-W154 HydrophobicContact CB-CZ2 4.4Å; L149-W154 HydrophobicContact CB-CZ3 3.68Å; L149-W154 HydrophobicContact CD1-CD2 3.68Å; L149-W154 HydrophobicContact CD1-CE3 4.08Å; L149-W154 HydrophobicContact CD1-CG 4.06Å; L149-W154 HydrophobicContact CD1-CH2 4.35Å; L149-W154 HydrophobicContact CD1-CZ2 3.95Å; L149-W154 HydrophobicContact CD1-CZ3 4.41Å; W154-I190 HydrophobicContact CH2-CB 4.41Å; W154-I190 HydrophobicContact CH2-CG2 3.77Å; W154-I190 HydrophobicContact CZ3-CG2 4.2Å; W154-E192 HydrophobicContact CE3-CB 4.06Å; W154-E192 HydrophobicContact CH2-CB 3.78Å; W154-E192 HydrophobicContact CZ3-CB 3.48Å; W154-E192 VanDerWaalsContact CZ3-CB 3.48Å; W154-V208 HydrophobicContact CH2-CG1 4.44Å |
| 155 | I | 91.3 | Very high | 88.9 | Confident | 41 Ų | 41 | 49.6 Ų | 49.6 | 21% | 0.21 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 120.7 | 170.2 | -58.6 | -171.9 | 0 | 0 | 0 | 107.9 | G147 Y148 T150 | G147-I155 CarbonylContact C-O 3.52Å; G147-I155 VanDerWaalsContact CA-O 3.29Å; G147-I155 WeakPolarHBondContact CA-O 3.22Å; Y148-I155 HydrophobicContact CD2-CB 4.41Å; Y148-I155 HydrophobicContact CE1-CB 4.24Å; Y148-I155 HydrophobicContact CE1-CG2 4.11Å; Y148-I155 HydrophobicContact CE2-CB 4.06Å; Y148-I155 HydrophobicContact CE2-CD1 4.12Å; Y148-I155 HydrophobicContact CE2-CG1 4.44Å; Y148-I155 PolarHBondContact N-O 2.88Å; Y148-I155 PolarHBondContact O-N 3.15Å; T150-I155 HydrophobicContact CG2-CD1 3.57Å; T150-I155 HydrophobicContact CG2-CG1 3.92Å |
| 156 | P | 90.8 | Very high | 88.9 | Confident | 99 Ų | 99 | 50.1 Ų | 50.1 | 64% | 0.643 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 143.8 | 174.9 | 30.3 | -34.2 | 0 | 0 | 0 | 110.6 | ||
| 157 | L | 88.8 | Confident | 88.7 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 17% | 0.168 | 29% | 0.291 | C | S | . | . | trans | -82.8 | 139.2 | 174.4 | -69.3 | 76.1 | 0 | 0 | 0 | 110.3 | I146 G147 Y148 N159 L162 L186 | I146-L157 HydrophobicContact CB-CD1 4.13Å; I146-L157 HydrophobicContact CG2-CD1 3.77Å; I146-L157 HydrophobicContact CG2-CD2 4.27Å; I146-L157 WeakPolarHBondContact O-CD1 3.13Å; I146-L157 PolarHBondContact O-N 3.34Å; G147-L157 VanDerWaalsContact C-CD1 3.49Å; Y148-L157 HydrophobicContact CD1-CD1 3.63Å; Y148-L157 HydrophobicContact CD1-CG 4Å; Y148-L157 HydrophobicContact CE1-CD1 4.41Å; Y148-L157 HydrophobicContact CE1-CG 4.39Å; L157-N159 PolarHBondContact O-N 3.2Å; L157-L162 HydrophobicContact CD2-CD1 3.46Å; L157-L162 VanDerWaalsContact CD2-CD1 3.46Å; L157-L186 HydrophobicContact CD2-CD1 4.13Å; L157-L186 HydrophobicContact CD2-CD2 4.17Å | ||
| 158 | E | 83.1 | Confident | 88.3 | Confident | 151 Ų | 151 | 54.2 Ų | 54.2 | 71% | 0.706 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -61.2 | -30.4 | 173.6 | -60.7 | -169.4 | 143 | 0 | 0 | 112.3 | ||
| 159 | N | 82 | Confident | 87.7 | Confident | 94 Ų | 94 | 60.1 Ų | 60.1 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | trans | -100.9 | 93.1 | -179.8 | -69 | -37.2 | 0 | 0 | 0 | 111 | L157 N161 L162 | L157-N159 PolarHBondContact O-N 3.2Å; N159-N161 PolarHBondContact O-N 3.1Å; N159-L162 HydrophobicContact CB-CD1 4.04Å; N159-L162 HydrophobicContact CB-CD2 4.18Å; N159-L162 HydrophobicContact CB-CG 3.86Å; N159-L162 WeakPolarHBondContact O-CG 3.48Å | ||
| 160 | A | 80.3 | Confident | 87.2 | Confident | 44 Ų | 44 | 66.4 Ų | 66.4 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -65.9 | -16.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114 | I146 L162 | I146-A160 WeakPolarHBondContact CD1-O 3.33Å; A160-L162 VanDerWaalsContact C-N 3.34Å; A160-L162 PolarHBondContact O-N 2.91Å |
| 161 | N | 87.1 | Confident | 87 | Confident | 136 Ų | 136 | 72 Ų | 72 | 73% | 0.727 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -91.1 | 15.8 | -172.3 | -60.6 | 9.1 | 0 | 0 | 0 | 113.9 | N159 F163 | N159-N161 PolarHBondContact O-N 3.1Å; N161-F163 VanDerWaalsContact C-N 3.32Å |
| 162 | L | 91.9 | Very high | 87.2 | Confident | 12 Ų | 12 | 68.4 Ų | 68.4 | 6% | 0.063 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -78.1 | -16.5 | -178.1 | -63.4 | 173.3 | 0 | 0 | 0 | 113.7 | I146 L157 N159 A160 W176 L177 G178 D182 | I146-L162 HydrophobicContact CD1-CB 4.07Å; L157-L162 HydrophobicContact CD2-CD1 3.46Å; L157-L162 VanDerWaalsContact CD2-CD1 3.46Å; N159-L162 HydrophobicContact CB-CD1 4.04Å; N159-L162 HydrophobicContact CB-CD2 4.18Å; N159-L162 HydrophobicContact CB-CG 3.86Å; N159-L162 WeakPolarHBondContact O-CG 3.48Å; A160-L162 VanDerWaalsContact C-N 3.34Å; A160-L162 PolarHBondContact O-N 2.91Å; L162-W176 HydrophobicContact CB-CE3 4.48Å; L162-W176 HydrophobicContact CB-CZ3 3.91Å; L162-L177 PolarHBondContact O-N 2.95Å; L162-G178 VanDerWaalsContact CD2-CA 3.47Å; L162-G178 PolarHBondContact O-N 2.91Å; L162-D182 HydrophobicContact CD1-CB 4.31Å; L162-D182 HydrophobicContact CD2-CB 4.04Å; L162-D182 WeakPolarHBondContact CD2-OD2 3.01Å |
| 163 | F | 94.2 | Very high | 87.5 | Confident | 5 Ų | 5 | 65.4 Ų | 65.4 | 2% | 0.022 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 157.3 | 169.2 | -59.2 | -84 | 0 | 0 | 0 | 109.8 | L111 V118 L143 I146 N161 I174 Q175 W176 L186 V191 I193 F209 | L111-F163 HydrophobicContact CD2-CE1 3.73Å; L111-F163 HydrophobicContact CD2-CZ 3.82Å; V118-F163 HydrophobicContact CG2-CD1 4.09Å; V118-F163 HydrophobicContact CG2-CE1 3.93Å; L143-F163 HydrophobicContact CD2-CB 3.94Å; I146-F163 HydrophobicContact CD1-CD2 3.68Å; I146-F163 HydrophobicContact CD1-CE2 4.39Å; I146-F163 HydrophobicContact CG1-CD2 4.26Å; I146-F163 HydrophobicContact CG2-CD2 4.22Å; I146-F163 HydrophobicContact CG2-CE2 4.09Å; N161-F163 VanDerWaalsContact C-N 3.32Å; F163-I174 HydrophobicContact CB-CG2 4.19Å; F163-I174 HydrophobicContact CD1-CG2 3.87Å; F163-I174 HydrophobicContact CG-CG2 4.33Å; F163-Q175 CarbonylContact C-O 3.53Å; F163-Q175 VanDerWaalsContact CA-O 3.24Å; F163-Q175 WeakPolarHBondContact CA-O 3.3Å; F163-W176 AromaticContact CD1-CE3 3.84Å; F163-W176 HydrophobicContact CD1-CE3 3.84Å; F163-W176 HydrophobicContact CE1-CD2 4.37Å; F163-W176 AromaticContact CE1-CE3 3.38Å; F163-W176 HydrophobicContact CE1-CE3 3.38Å; F163-W176 AromaticContact CE1-CZ3 3.95Å; F163-W176 HydrophobicContact CE1-CZ3 3.95Å; F163-W176 HydrophobicContact CE2-CE3 4.19Å; F163-W176 AromaticContact CE2-CZ3 4Å; F163-W176 HydrophobicContact CE2-CZ3 4Å; F163-W176 HydrophobicContact CG-CE3 4.42Å; F163-W176 AromaticContact CZ-CE3 3.56Å; F163-W176 HydrophobicContact CZ-CE3 3.56Å; F163-W176 AromaticContact CZ-CZ3 3.6Å; F163-W176 HydrophobicContact CZ-CZ3 3.6Å; F163-L186 HydrophobicContact CE2-CD1 4.48Å; F163-L186 HydrophobicContact CZ-CD1 4.49Å; F163-V191 HydrophobicContact CE2-CG1 3.84Å; F163-V191 HydrophobicContact CZ-CG1 4.16Å; F163-I193 HydrophobicContact CB-CD1 3.88Å; F163-I193 HydrophobicContact CD1-CD1 3.98Å; F163-I193 HydrophobicContact CD2-CD1 3.5Å; F163-I193 VanDerWaalsContact CD2-CD1 3.5Å; F163-I193 HydrophobicContact CD2-CG1 3.95Å; F163-I193 HydrophobicContact CE1-CD1 4.4Å; F163-I193 HydrophobicContact CE2-CD1 4Å; F163-I193 HydrophobicContact CE2-CG1 4.3Å; F163-I193 HydrophobicContact CG-CD1 3.52Å; F163-I193 HydrophobicContact CG-CG1 4.44Å; F163-I193 HydrophobicContact CZ-CD1 4.43Å; F163-F209 HydrophobicContact CE1-CE2 4.41Å; F163-F209 AromaticContact CE1-CZ 3.77Å; F163-F209 HydrophobicContact CE1-CZ 3.77Å; F163-F209 HydrophobicContact CE2-CZ 4.32Å; F163-F209 HydrophobicContact CZ-CE2 4.11Å; F163-F209 AromaticContact CZ-CZ 3.65Å; F163-F209 HydrophobicContact CZ-CZ 3.65Å |
| 164 | T | 92.8 | Very high | 87.7 | Confident | 50 Ų | 50 | 65 Ų | 65 | 31% | 0.307 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 164.8 | 166.9 | -169.8 | 0 | 0 | 0 | 0 | 110 | Q175 L177 | T164-Q175 HydrophobicContact CG2-CB 3.86Å; T164-Q175 HydrophobicContact CG2-CG 4.4Å; T164-Q175 PolarHBondContact N-O 3.04Å; T164-Q175 PolarHBondContact O-N 3.38Å; T164-L177 HydrophobicContact CG2-CD1 3.68Å; T164-L177 HydrophobicContact CG2-CD2 4.43Å; T164-L177 HydrophobicContact CG2-CG 4.07Å |
| 165 | L | 91.5 | Very high | 87.9 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 18% | 0.183 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 137.3 | 166.4 | -60.1 | -176.9 | 0 | 0 | 0 | 109.3 | W126 C141 L143 T172 H173 I174 | W126-L165 HydrophobicContact CH2-CD1 4.31Å; W126-L165 HydrophobicContact CH2-CD2 3.92Å; W126-L165 HydrophobicContact CZ2-CD2 4.11Å; C141-L165 HydrophobicContact CB-CD1 4.47Å; C141-L165 WeakPolarHBondContact O-CD1 3.43Å; L143-L165 HydrophobicContact CD1-CD2 4.23Å; L143-L165 HydrophobicContact CD1-CG 3.89Å; L165-T172 HydrophobicContact CB-CG2 3.83Å; L165-T172 HydrophobicContact CD1-CG2 4.35Å; L165-T172 HydrophobicContact CD2-CG2 4.31Å; L165-T172 HydrophobicContact CG-CG2 4.38Å; L165-H173 WeakPolarHBondContact CA-O 3.43Å; L165-I174 HydrophobicContact CD2-CG1 4.07Å |
| 166 | L | 91 | Very high | 88.1 | Confident | 59 Ų | 59 | 61.7 Ų | 61.7 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 110.9 | -179.7 | 175.2 | 68.2 | 0 | 0 | 0 | 108.6 | I117 H173 Q175 | I117-L166 HydrophobicContact CD1-CD2 4.4Å; I117-L166 HydrophobicContact CG1-CD2 4.24Å; L166-H173 PolarHBondContact N-O 3.49Å; L166-H173 PolarHBondContact O-N 2.89Å; L166-Q175 HydrophobicContact CB-CB 4.1Å; L166-Q175 HydrophobicContact CD2-CB 4.42Å; L166-Q175 HydrophobicContact CD2-CG 4.43Å |
| 167 | N | 88.7 | Confident | 88.2 | Confident | 52 Ų | 52 | 60.5 Ų | 60.5 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 128.4 | 167.6 | -172.5 | 3.7 | 0 | 0 | 0 | 109.4 | D136 N138 H170 Y171 | D136-N167 PolarHBondContact O-ND2 3.48Å; N138-N167 PolarHBondContact OD1-ND2 3.32Å; N167-H170 WeakPolarHBondContact OD1-CA 3.38Å; N167-H170 PolarHBondContact OD1-N 2.81Å; N167-Y171 PolarHBondContact OD1-N 3.49Å; N167-Y171 PolarHBondContact OD1-O 2.9Å |
| 168 | S | 83.3 | Confident | 88.3 | Confident | 44 Ų | 44 | 59 Ų | 59 | 31% | 0.308 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 128.5 | 173.3 | -171.6 | 0 | 0 | 0 | 0 | 108.6 | H170 Y171 | S168-H170 VanDerWaalsContact C-N 3.26Å; S168-H170 PolarHBondContact O-N 3.31Å; S168-Y171 PolarHBondContact N-O 3.12Å; S168-Y171 PolarHBondContact O-N 3.19Å; S168-Y171 VanDerWaalsContact O-O 3.1Å |
| 169 | N | 80.1 | Confident | 88.7 | Confident | 138 Ų | 138 | 55.4 Ų | 55.4 | 74% | 0.738 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 37.5 | -179.9 | -48.8 | -42.7 | 0 | 0 | 0 | 114 | Y171 | N169-Y171 WeakPolarHBondContact O-CD2 3.39Å; N169-Y171 PolarHBondContact O-N 3.12Å |
| 170 | H | 80 | Confident | 89.1 | Confident | 134 Ų | 134 | 58 Ų | 58 | 62% | 0.62 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 18 | -173.1 | -48 | -77.8 | 0 | 0 | 0 | 115.5 | D136 N167 S168 | D136-H170 PolarHBondContact O-ND1 2.93Å; N167-H170 WeakPolarHBondContact OD1-CA 3.38Å; N167-H170 PolarHBondContact OD1-N 2.81Å; S168-H170 VanDerWaalsContact C-N 3.26Å; S168-H170 PolarHBondContact O-N 3.31Å |
| 171 | Y | 83.4 | Confident | 89.5 | Confident | 128 Ų | 128 | 62.3 Ų | 62.3 | 50% | 0.502 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122 | 169.3 | -71.9 | -87.4 | 0 | 0 | 0 | 110.2 | N167 S168 N169 H173 | N167-Y171 PolarHBondContact OD1-N 3.49Å; N167-Y171 PolarHBondContact OD1-O 2.9Å; S168-Y171 PolarHBondContact N-O 3.12Å; S168-Y171 PolarHBondContact O-N 3.19Å; S168-Y171 VanDerWaalsContact O-O 3.1Å; N169-Y171 WeakPolarHBondContact O-CD2 3.39Å; N169-Y171 PolarHBondContact O-N 3.12Å; Y171-H173 PolarHBondContact O-CD2 2.96Å; Y171-H173 VanDerWaalsContact O-CD2 3.3Å; Y171-H173 PolarHBondContact O-N 3.47Å |
| 172 | T | 88.5 | Confident | 89.6 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 6% | 0.055 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 114.9 | 170.6 | -62.9 | 0 | 0 | 0 | 0 | 110.1 | W126 V139 L165 | W126-T172 HydrophobicContact CZ2-CG2 4.03Å; W126-T172 PolarHBondContact NE1-O 3.4Å; V139-T172 HydrophobicContact CB-CG2 4.06Å; V139-T172 HydrophobicContact CG2-CG2 4.01Å; V139-T172 WeakPolarHBondContact CG2-OG1 3.33Å; V139-T172 PolarHBondContact N-OG1 3.3Å; L165-T172 HydrophobicContact CB-CG2 3.83Å; L165-T172 HydrophobicContact CD1-CG2 4.35Å; L165-T172 HydrophobicContact CD2-CG2 4.31Å; L165-T172 HydrophobicContact CG-CG2 4.38Å |
| 173 | H | 90.9 | Very high | 89.5 | Confident | 29 Ų | 29 | 58 Ų | 58 | 13% | 0.134 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 159.8 | 176.6 | -70.4 | -88 | 0 | 0 | 0 | 111.5 | I117 L165 L166 Y171 | I117-H173 HydrophobicContact CD1-CB 3.99Å; I117-H173 HydrophobicContact CG1-CB 4.04Å; I117-H173 HydrophobicContact CG2-CB 3.85Å; L165-H173 WeakPolarHBondContact CA-O 3.43Å; L166-H173 PolarHBondContact N-O 3.49Å; L166-H173 PolarHBondContact O-N 2.89Å; Y171-H173 PolarHBondContact O-CD2 2.96Å; Y171-H173 VanDerWaalsContact O-CD2 3.3Å; Y171-H173 PolarHBondContact O-N 3.47Å |
| 174 | I | 92.8 | Very high | 89.2 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.8 | 169.2 | -57.3 | 174.8 | 0 | 0 | 0 | 108.1 | F94 V118 P124 F163 L165 I193 A207 | F94-I174 HydrophobicContact CE1-CD1 4.26Å; F94-I174 HydrophobicContact CZ-CD1 4.49Å; V118-I174 HydrophobicContact CG2-CG2 4.27Å; V118-I174 PolarHBondContact N-O 2.86Å; P124-I174 HydrophobicContact CG-CD1 4.34Å; P124-I174 HydrophobicContact CG-CG1 4.27Å; F163-I174 HydrophobicContact CB-CG2 4.19Å; F163-I174 HydrophobicContact CD1-CG2 3.87Å; F163-I174 HydrophobicContact CG-CG2 4.33Å; L165-I174 HydrophobicContact CD2-CG1 4.07Å; I174-I193 HydrophobicContact CG2-CD1 4.07Å; I174-A207 HydrophobicContact CD1-CB 3.76Å |
| 175 | Q | 94.1 | Very high | 89 | Confident | 36 Ų | 36 | 64.3 Ų | 64.3 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 139.5 | 177.3 | -175.1 | -174.4 | 32.3 | 0 | 0 | 110.1 | G115 F163 T164 L166 L177 | G115-Q175 PolarHBondContact O-NE2 3.46Å; F163-Q175 CarbonylContact C-O 3.53Å; F163-Q175 VanDerWaalsContact CA-O 3.24Å; F163-Q175 WeakPolarHBondContact CA-O 3.3Å; T164-Q175 HydrophobicContact CG2-CB 3.86Å; T164-Q175 HydrophobicContact CG2-CG 4.4Å; T164-Q175 PolarHBondContact N-O 3.04Å; T164-Q175 PolarHBondContact O-N 3.38Å; L166-Q175 HydrophobicContact CB-CB 4.1Å; L166-Q175 HydrophobicContact CD2-CB 4.42Å; L166-Q175 HydrophobicContact CD2-CG 4.43Å; Q175-L177 HydrophobicContact CG-CD2 4.26Å |
| 176 | W | 94.9 | Very high | 89 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 126.5 | 176.1 | 169.2 | -112 | 0 | 0 | 0 | 110.8 | L111 P112 G115 Q116 V118 L162 F163 G178 D182 Q183 L186 | L111-W176 HydrophobicContact CD1-CH2 4.02Å; L111-W176 HydrophobicContact CD1-CZ2 4.29Å; L111-W176 HydrophobicContact CD1-CZ3 4.18Å; L111-W176 HydrophobicContact CD2-CD2 4.26Å; L111-W176 HydrophobicContact CD2-CE3 4.04Å; L111-W176 HydrophobicContact CD2-CZ3 4.33Å; P112-W176 HydrophobicContact CG-CB 3.96Å; P112-W176 HydrophobicContact CG-CG 4.4Å; P112-W176 PolarHBondContact O-NE1 3.38Å; G115-W176 WeakPolarHBondContact CA-O 3.35Å; G115-W176 PolarHBondContact N-O 3.12Å; Q116-W176 PolarHBondContact O-N 3.01Å; V118-W176 HydrophobicContact CG2-CB 3.84Å; L162-W176 HydrophobicContact CB-CE3 4.48Å; L162-W176 HydrophobicContact CB-CZ3 3.91Å; F163-W176 AromaticContact CD1-CE3 3.84Å; F163-W176 HydrophobicContact CD1-CE3 3.84Å; F163-W176 HydrophobicContact CE1-CD2 4.37Å; F163-W176 AromaticContact CE1-CE3 3.38Å; F163-W176 HydrophobicContact CE1-CE3 3.38Å; F163-W176 AromaticContact CE1-CZ3 3.95Å; F163-W176 HydrophobicContact CE1-CZ3 3.95Å; F163-W176 HydrophobicContact CE2-CE3 4.19Å; F163-W176 AromaticContact CE2-CZ3 4Å; F163-W176 HydrophobicContact CE2-CZ3 4Å; F163-W176 HydrophobicContact CG-CE3 4.42Å; F163-W176 AromaticContact CZ-CE3 3.56Å; F163-W176 HydrophobicContact CZ-CE3 3.56Å; F163-W176 AromaticContact CZ-CZ3 3.6Å; F163-W176 HydrophobicContact CZ-CZ3 3.6Å; W176-G178 VanDerWaalsContact CZ2-CA 3.45Å; W176-G178 PolarHBondContact NE1-O 3.47Å; W176-D182 HydrophobicContact CH2-CB 3.77Å; W176-D182 HydrophobicContact CZ2-CB 4.03Å; W176-Q183 HydrophobicContact CZ2-CB 3.89Å; W176-L186 HydrophobicContact CH2-CD1 4.04Å; W176-L186 HydrophobicContact CZ3-CD1 4Å |
| 177 | L | 93.9 | Very high | 89 | Confident | 73 Ų | 73 | 62.4 Ų | 62.4 | 38% | 0.382 | 31% | 0.31 | S | S | . | . | trans | -117.5 | -1.6 | 179.8 | -60.4 | -177.6 | 0 | 0 | 0 | 113.1 | T114 L162 T164 Q175 | T114-L177 WeakPolarHBondContact CG2-O 3.33Å; L162-L177 PolarHBondContact O-N 2.95Å; T164-L177 HydrophobicContact CG2-CD1 3.68Å; T164-L177 HydrophobicContact CG2-CD2 4.43Å; T164-L177 HydrophobicContact CG2-CG 4.07Å; Q175-L177 HydrophobicContact CG-CD2 4.26Å | ||
| 178 | G | 90.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | -69.5 | 160.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T114 L162 W176 D182 | T114-G178 PolarHBondContact OG1-O 3.38Å; L162-G178 VanDerWaalsContact CD2-CA 3.47Å; L162-G178 PolarHBondContact O-N 2.91Å; W176-G178 VanDerWaalsContact CZ2-CA 3.45Å; W176-G178 PolarHBondContact NE1-O 3.47Å; G178-D182 WeakPolarHBondContact CA-OD2 3.38Å | ||
| 179 | N | 90.8 | Very high | 89.5 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 41% | 0.412 | 29% | 0.285 | S | S | . | . | trans | -89.8 | 176.5 | 177.3 | 79.5 | 68.5 | 0 | 0 | 0 | 111.4 | Q181 D182 Q183 | N179-Q181 VanDerWaalsContact C-N 3.31Å; N179-Q181 PolarHBondContact O-N 2.03Å; N179-Q181 WeakPolarHBondContact OD1-CA 3.43Å; N179-Q181 WeakPolarHBondContact OD1-CB 3.33Å; N179-Q181 PolarHBondContact OD1-N 3.37Å; N179-D182 VanDerWaalsContact CG-OD2 3.22Å; N179-D182 PolarHBondContact N-OD2 3.36Å; N179-D182 PolarHBondContact ND2-OD1 3.21Å; N179-D182 VanDerWaalsContact ND2-OD1 3.15Å; N179-D182 PolarHBondContact ND2-OD2 3.47Å; N179-D182 PolarHBondContact O-N 2.93Å; N179-D182 PolarHBondContact OD1-N 2.84Å; N179-Q183 WeakPolarHBondContact O-CB 3.29Å; N179-Q183 PolarHBondContact O-N 3.15Å | ||
| 180 | K | 89.7 | Confident | 90.2 | Very high | 147 Ų | 147 | 52 Ų | 52 | 64% | 0.639 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -62.7 | -30.6 | -177.5 | -173.9 | 174.5 | 178.9 | 179.2 | 0 | 114.2 | Q183 Q184 | K180-Q183 WeakPolarHBondContact O-CB 3.48Å; K180-Q184 WeakPolarHBondContact O-CB 3.47Å; K180-Q184 VanDerWaalsContact O-CG 3.26Å; K180-Q184 WeakPolarHBondContact O-CG 3.04Å; K180-Q184 PolarHBondContact O-N 3.38Å |
| 181 | Q | 88.5 | Confident | 90.9 | Very high | 136 Ų | 136 | 45.6 Ų | 45.6 | 64% | 0.636 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -73.1 | -38.8 | 174.8 | -173.6 | 177.8 | -25 | 0 | 0 | 111.2 | N179 Q184 T185 | N179-Q181 VanDerWaalsContact C-N 3.31Å; N179-Q181 PolarHBondContact O-N 2.03Å; N179-Q181 WeakPolarHBondContact OD1-CA 3.43Å; N179-Q181 WeakPolarHBondContact OD1-CB 3.33Å; N179-Q181 PolarHBondContact OD1-N 3.37Å; Q181-Q184 PolarHBondContact O-N 3.48Å; Q181-T185 WeakPolarHBondContact O-CB 3.4Å; Q181-T185 PolarHBondContact O-N 3.39Å; Q181-T185 PolarHBondContact O-OG1 3.47Å |
| 182 | D | 90 | Very high | 91.3 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.2 | -43.8 | 173.2 | -47.1 | -34.7 | 0 | 0 | 0 | 110.2 | L162 W176 G178 N179 Q184 T185 L186 | L162-D182 HydrophobicContact CD1-CB 4.31Å; L162-D182 HydrophobicContact CD2-CB 4.04Å; L162-D182 WeakPolarHBondContact CD2-OD2 3.01Å; W176-D182 HydrophobicContact CH2-CB 3.77Å; W176-D182 HydrophobicContact CZ2-CB 4.03Å; G178-D182 WeakPolarHBondContact CA-OD2 3.38Å; N179-D182 VanDerWaalsContact CG-OD2 3.22Å; N179-D182 PolarHBondContact N-OD2 3.36Å; N179-D182 PolarHBondContact ND2-OD1 3.21Å; N179-D182 VanDerWaalsContact ND2-OD1 3.15Å; N179-D182 PolarHBondContact ND2-OD2 3.47Å; N179-D182 PolarHBondContact O-N 2.93Å; N179-D182 PolarHBondContact OD1-N 2.84Å; D182-Q184 VanDerWaalsContact C-N 3.34Å; D182-Q184 PolarHBondContact O-N 3.1Å; D182-T185 PolarHBondContact O-N 2.89Å; D182-T185 VanDerWaalsContact O-N 3.14Å; D182-L186 PolarHBondContact O-N 3.49Å |
| 183 | Q | 90.1 | Very high | 91.6 | Very high | 31 Ų | 31 | 40.1 Ų | 40.1 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.8 | -45.8 | 174.8 | -169.9 | -167.8 | 24.4 | 0 | 0 | 111.2 | L111 P112 W176 N179 K180 T187 | L111-Q183 HydrophobicContact CB-CG 3.96Å; L111-Q183 PolarHBondContact O-NE2 3.09Å; P112-Q183 PolarHBondContact O-NE2 3.31Å; W176-Q183 HydrophobicContact CZ2-CB 3.89Å; N179-Q183 WeakPolarHBondContact O-CB 3.29Å; N179-Q183 PolarHBondContact O-N 3.15Å; K180-Q183 WeakPolarHBondContact O-CB 3.48Å; Q183-T187 PolarHBondContact O-N 3.21Å; Q183-T187 PolarHBondContact O-OG1 2.68Å |
| 184 | Q | 88.4 | Confident | 91.6 | Very high | 123 Ų | 123 | 40 Ų | 40 | 58% | 0.575 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -67 | -36.1 | 175.6 | -77.7 | 176.4 | -25.4 | 0 | 0 | 112.7 | K180 Q181 D182 T187 | K180-Q184 WeakPolarHBondContact O-CB 3.47Å; K180-Q184 VanDerWaalsContact O-CG 3.26Å; K180-Q184 WeakPolarHBondContact O-CG 3.04Å; K180-Q184 PolarHBondContact O-N 3.38Å; Q181-Q184 PolarHBondContact O-N 3.48Å; D182-Q184 VanDerWaalsContact C-N 3.34Å; D182-Q184 PolarHBondContact O-N 3.1Å; Q184-T187 WeakPolarHBondContact O-CB 3.08Å; Q184-T187 PolarHBondContact O-N 3.11Å |
| 185 | T | 87.9 | Confident | 91.5 | Very high | 65 Ų | 65 | 39.9 Ų | 39.9 | 40% | 0.399 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69 | -35.6 | 179 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | Q181 D182 K189 | Q181-T185 WeakPolarHBondContact O-CB 3.4Å; Q181-T185 PolarHBondContact O-N 3.39Å; Q181-T185 PolarHBondContact O-OG1 3.47Å; D182-T185 PolarHBondContact O-N 2.89Å; D182-T185 VanDerWaalsContact O-N 3.14Å; T185-K189 WeakPolarHBondContact O-CD 3.42Å; T185-K189 WeakPolarHBondContact O-CE 3.31Å |
| 186 | L | 91.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -88.6 | -9.7 | 177.2 | -65.5 | -176.8 | 0 | 0 | 0 | 114.3 | L111 Y148 L157 F163 W176 D182 G188 K189 V191 V211 | L111-L186 HydrophobicContact CD1-CB 3.66Å; L111-L186 HydrophobicContact CD1-CD1 4.16Å; Y148-L186 HydrophobicContact CD1-CD2 4.05Å; Y148-L186 HydrophobicContact CG-CD2 4.29Å; L157-L186 HydrophobicContact CD2-CD1 4.13Å; L157-L186 HydrophobicContact CD2-CD2 4.17Å; F163-L186 HydrophobicContact CE2-CD1 4.48Å; F163-L186 HydrophobicContact CZ-CD1 4.49Å; W176-L186 HydrophobicContact CH2-CD1 4.04Å; W176-L186 HydrophobicContact CZ3-CD1 4Å; D182-L186 PolarHBondContact O-N 3.49Å; L186-G188 PolarHBondContact O-N 2.97Å; L186-K189 PolarHBondContact O-N 3.38Å; L186-V191 HydrophobicContact CB-CG2 4.26Å; L186-V191 HydrophobicContact CD1-CG2 4.03Å; L186-V191 HydrophobicContact CD2-CG2 3.94Å; L186-V191 HydrophobicContact CG-CG2 4.3Å; L186-V211 VanDerWaalsContact O-CB 3.24Å; L186-V211 WeakPolarHBondContact O-CB 3.14Å; L186-V211 WeakPolarHBondContact O-CG1 3.11Å |
| 187 | T | 91.5 | Very high | 90.9 | Very high | 52 Ų | 52 | 44.8 Ų | 44.8 | 32% | 0.319 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 124.5 | 176.4 | -69.7 | 0 | 0 | 0 | 0 | 110.2 | Q183 Q184 K189 | Q183-T187 PolarHBondContact O-N 3.21Å; Q183-T187 PolarHBondContact O-OG1 2.68Å; Q184-T187 WeakPolarHBondContact O-CB 3.08Å; Q184-T187 PolarHBondContact O-N 3.11Å; T187-K189 VanDerWaalsContact C-N 3.34Å; T187-K189 PolarHBondContact O-N 3.18Å |
| 188 | G | 91 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 12.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | R31 L186 V211 I212 D215 | R31-G188 PolarHBondContact NE-O 2.77Å; R31-G188 PolarHBondContact NH2-O 3.4Å; L186-G188 PolarHBondContact O-N 2.97Å; G188-V211 WeakPolarHBondContact CA-O 3.45Å; G188-V211 PolarHBondContact N-O 3.45Å; G188-I212 PolarHBondContact N-O 2.04Å; G188-D215 VanDerWaalsContact O-CB 3.31Å; G188-D215 WeakPolarHBondContact O-CB 3.39Å |
| 189 | K | 92.2 | Very high | 89 | Confident | 14 Ų | 14 | 54.4 Ų | 54.4 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -103.8 | 160.7 | 176.5 | -57.4 | -163.5 | -176.1 | -66.9 | 0 | 112.6 | R31 Y148 T185 L186 T187 V211 D215 | R31-K189 PolarHBondContact NH1-O 2.66Å; R31-K189 VanDerWaalsContact NH2-C 3.33Å; Y148-K189 HydrophobicContact CD2-CD 3.53Å; Y148-K189 HydrophobicContact CE2-CD 3.93Å; Y148-K189 HydrophobicContact CG-CD 4.02Å; T185-K189 WeakPolarHBondContact O-CD 3.42Å; T185-K189 WeakPolarHBondContact O-CE 3.31Å; L186-K189 PolarHBondContact O-N 3.38Å; T187-K189 VanDerWaalsContact C-N 3.34Å; T187-K189 PolarHBondContact O-N 3.18Å; K189-V211 PolarHBondContact O-N 3.22Å; K189-D215 IonicContact NZ-OD1 3.97Å; K189-D215 PolarHBondContact NZ-OD1 3.22Å; K189-D215 IonicContact NZ-OD2 2.8Å |
| 190 | I | 93.7 | Very high | 87.6 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 131.2 | 162.5 | -58.9 | -174.3 | 0 | 0 | 0 | 104.8 | R31 A74 L76 I86 L106 Y148 L149 W154 V208 F209 R210 | R31-I190 VanDerWaalsContact NH2-N 3.19Å; A74-I190 HydrophobicContact CB-CD1 4.49Å; L76-I190 HydrophobicContact CD2-CD1 3.52Å; I86-I190 HydrophobicContact CD1-CD1 4.44Å; I86-I190 HydrophobicContact CD1-CG2 4.42Å; L106-I190 HydrophobicContact CD2-CD1 4.26Å; Y148-I190 CarbonylContact C-O 3.14Å; Y148-I190 WeakPolarHBondContact CA-O 3.47Å; Y148-I190 WeakPolarHBondContact CB-O 3.45Å; L149-I190 HydrophobicContact CB-CB 3.87Å; L149-I190 HydrophobicContact CB-CG1 4.39Å; L149-I190 HydrophobicContact CD2-CD1 3.78Å; L149-I190 HydrophobicContact CD2-CG1 4.45Å; L149-I190 PolarHBondContact N-O 3.19Å; W154-I190 HydrophobicContact CH2-CB 4.41Å; W154-I190 HydrophobicContact CH2-CG2 3.77Å; W154-I190 HydrophobicContact CZ3-CG2 4.2Å; I190-V208 HydrophobicContact CG2-CG1 3.52Å; I190-F209 WeakPolarHBondContact CA-O 3.41Å; I190-R210 HydrophobicContact CG1-CG 4.42Å |
| 191 | V | 94.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 134.5 | 172.5 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | I146 G147 F163 L186 I193 V208 F209 V211 | I146-V191 HydrophobicContact CG2-CG1 3.85Å; G147-V191 WeakPolarHBondContact O-CA 3.44Å; F163-V191 HydrophobicContact CE2-CG1 3.84Å; F163-V191 HydrophobicContact CZ-CG1 4.16Å; L186-V191 HydrophobicContact CB-CG2 4.26Å; L186-V191 HydrophobicContact CD1-CG2 4.03Å; L186-V191 HydrophobicContact CD2-CG2 3.94Å; L186-V191 HydrophobicContact CG-CG2 4.3Å; V191-I193 HydrophobicContact CG1-CG1 4.38Å; V191-V208 WeakPolarHBondContact O-CA 3.2Å; V191-F209 HydrophobicContact CB-CD2 4.05Å; V191-F209 HydrophobicContact CB-CE2 3.6Å; V191-F209 HydrophobicContact CB-CZ 4.07Å; V191-F209 HydrophobicContact CG1-CE2 3.96Å; V191-F209 HydrophobicContact CG1-CZ 3.94Å; V191-F209 HydrophobicContact CG2-CE2 4.16Å; V191-F209 PolarHBondContact N-O 3.4Å; V191-F209 PolarHBondContact O-N 2.87Å; V191-V211 HydrophobicContact CG2-CG2 3.78Å |
| 192 | E | 93.1 | Very high | 84.7 | Confident | 21 Ų | 21 | 49.1 Ų | 49.1 | 10% | 0.098 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 135.1 | 171.9 | 170.2 | 175.8 | -122.6 | 0 | 0 | 108.4 | C89 I146 G147 W154 C206 V208 | C89-E192 PolarHBondContact SG-OE1 2.83Å; I146-E192 CarbonylContact C-O 3.54Å; I146-E192 VanDerWaalsContact CA-O 3.32Å; I146-E192 WeakPolarHBondContact CA-O 3.38Å; I146-E192 WeakPolarHBondContact CG2-O 3.06Å; G147-E192 PolarHBondContact N-O 3.39Å; G147-E192 PolarHBondContact O-N 3.04Å; W154-E192 HydrophobicContact CE3-CB 4.06Å; W154-E192 HydrophobicContact CH2-CB 3.78Å; W154-E192 HydrophobicContact CZ3-CB 3.48Å; W154-E192 VanDerWaalsContact CZ3-CB 3.48Å; E192-C206 HydrophobicContact CG-CB 4.26Å; E192-V208 HydrophobicContact CB-CG2 4.29Å; E192-V208 HydrophobicContact CG-CG2 4.22Å |
| 193 | I | 93.3 | Very high | 83.5 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 110.1 | 172 | -57.9 | 175.1 | 0 | 0 | 0 | 106.7 | L143 I146 F163 I174 V191 L195 C206 A207 F209 | L143-I193 HydrophobicContact CD1-CG2 4.16Å; L143-I193 HydrophobicContact CD2-CG2 3.51Å; L143-I193 HydrophobicContact CG-CG2 3.51Å; I146-I193 HydrophobicContact CG2-CG1 4.32Å; F163-I193 HydrophobicContact CB-CD1 3.88Å; F163-I193 HydrophobicContact CD1-CD1 3.98Å; F163-I193 HydrophobicContact CD2-CD1 3.5Å; F163-I193 VanDerWaalsContact CD2-CD1 3.5Å; F163-I193 HydrophobicContact CD2-CG1 3.95Å; F163-I193 HydrophobicContact CE1-CD1 4.4Å; F163-I193 HydrophobicContact CE2-CD1 4Å; F163-I193 HydrophobicContact CE2-CG1 4.3Å; F163-I193 HydrophobicContact CG-CD1 3.52Å; F163-I193 HydrophobicContact CG-CG1 4.44Å; F163-I193 HydrophobicContact CZ-CD1 4.43Å; I174-I193 HydrophobicContact CG2-CD1 4.07Å; V191-I193 HydrophobicContact CG1-CG1 4.38Å; I193-L195 HydrophobicContact CG2-CD2 3.84Å; I193-L195 HydrophobicContact CG2-CG 4.45Å; I193-C206 CarbonylContact O-C 3.54Å; I193-C206 VanDerWaalsContact O-CA 3.26Å; I193-C206 WeakPolarHBondContact O-CA 3.5Å; I193-A207 HydrophobicContact CB-CB 4.35Å; I193-A207 PolarHBondContact N-O 2.82Å; I193-A207 PolarHBondContact O-N 2.86Å; I193-F209 HydrophobicContact CD1-CE1 3.75Å; I193-F209 HydrophobicContact CD1-CZ 3.94Å; I193-F209 HydrophobicContact CG1-CE1 4.35Å |
| 194 | S | 91.6 | Very high | 82.9 | Confident | 27 Ų | 27 | 55.1 Ų | 55.1 | 19% | 0.189 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 132 | 176.4 | -48.3 | 0 | 0 | 0 | 0 | 109.9 | S144 S145 | S144-S194 PolarHBondContact N-O 2.9Å; S145-S194 PolarHBondContact O-N 3.48Å; S145-S194 VanDerWaalsContact OG-CB 3.32Å; S145-S194 WeakPolarHBondContact OG-CB 3.44Å; S145-S194 PolarHBondContact OG-OG 3.35Å |
| 195 | L | 90.4 | Very high | 82.9 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.4 | -172.3 | -60.1 | 177.4 | 0 | 0 | 0 | 110 | L92 W126 A142 L143 I193 L205 A207 | L92-L195 HydrophobicContact CD2-CD1 4.35Å; W126-L195 HydrophobicContact CH2-CD1 3.77Å; W126-L195 HydrophobicContact CZ3-CD1 3.66Å; A142-L195 CarbonylContact O-C 3.6Å; A142-L195 WeakPolarHBondContact O-CA 3.41Å; L143-L195 HydrophobicContact CD1-CD2 3.66Å; L143-L195 HydrophobicContact CG-CD2 3.88Å; I193-L195 HydrophobicContact CG2-CD2 3.84Å; I193-L195 HydrophobicContact CG2-CG 4.45Å; L195-L205 HydrophobicContact CB-CB 4.38Å; L195-L205 HydrophobicContact CB-CD2 4.27Å; L195-L205 HydrophobicContact CB-CG 4.46Å; L195-L205 HydrophobicContact CD1-CD2 4.17Å; L195-L205 PolarHBondContact N-O 3.48Å; L195-A207 HydrophobicContact CD1-CB 4.41Å |
| 196 | Q | 88.9 | Confident | 83.1 | Confident | 125 Ų | 125 | 46.5 Ų | 46.5 | 58% | 0.584 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 116.8 | 175.6 | -171.7 | 172.6 | 18.8 | 0 | 0 | 109.3 | C141 A142 | C141-Q196 CarbonylContact C-O 3.58Å; C141-Q196 VanDerWaalsContact CA-O 3.24Å; C141-Q196 WeakPolarHBondContact CA-O 3.24Å; A142-Q196 PolarHBondContact N-O 3.47Å; A142-Q196 PolarHBondContact O-N 3.35Å |
| 197 | C | 87.9 | Confident | 83.2 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 11% | 0.108 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 143.2 | -175.4 | -59.7 | 0 | 0 | 0 | 0 | 112 | P140 C141 A200 L205 | P140-C197 CarbonylContact O-C 3.55Å; P140-C197 WeakPolarHBondContact O-CA 3.43Å; C141-C197 HydrophobicContact CB-CB 4Å; C141-C197 WeakPolarHBondContact CB-SG 3.49Å; C141-C197 WeakPolarHBondContact SG-CB 3.29Å; C141-C197 CovalentContact SG-SG 2.03Å; C141-C197 PolarHBondContact SG-SG 3.01Å; C197-A200 HydrophobicContact CB-CB 3.81Å; C197-L205 VanDerWaalsContact SG-CD2 3.58Å |
| 198 | Q | 78.2 | Confident | 83.3 | Confident | 169 Ų | 169 | 44 Ų | 44 | 79% | 0.79 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -28.3 | -171 | -167.2 | 160.8 | -11.5 | 0 | 0 | 114.1 | P140 | P140-Q198 HydrophobicContact CB-CB 4.38Å; P140-Q198 PolarHBondContact O-N 2.98Å |
| 199 | D | 66.4 | Low | 83.5 | Confident | 106 Ų | 106 | 44 Ų | 44 | 57% | 0.567 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.3 | 26.8 | -178.2 | -67.6 | -74.1 | 0 | 0 | 0 | 113.6 | ||
| 200 | A | 60.7 | Low | 83.6 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | trans | -96.6 | 121.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | C197 S202 | C197-A200 HydrophobicContact CB-CB 3.81Å; A200-S202 WeakPolarHBondContact CB-O 3.21Å; A200-S202 PolarHBondContact O-N 3.21Å | ||
| 201 | D | 60 | Low | 83.6 | Confident | 178 Ų | 178 | 43.5 Ų | 43.5 | 95% | 0.952 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -59.7 | -7 | 174.7 | -60.4 | -56.3 | 0 | 0 | 0 | 114.3 | ||
| 202 | S | 58.5 | Low | 83.6 | Confident | 35 Ų | 35 | 46 Ų | 46 | 25% | 0.245 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -138.2 | 120.7 | 176.1 | 59.2 | 0 | 0 | 0 | 0 | 108.7 | R90 A200 D204 | R90-S202 PolarHBondContact NH1-OG 3.4Å; R90-S202 VanDerWaalsContact NH1-OG 3.08Å; A200-S202 WeakPolarHBondContact CB-O 3.21Å; A200-S202 PolarHBondContact O-N 3.21Å; S202-D204 VanDerWaalsContact C-N 3.28Å; S202-D204 PolarHBondContact O-N 2.93Å |
| 203 | P | 64.4 | Low | 83.5 | Confident | 78 Ų | 78 | 45.9 Ų | 45.9 | 51% | 0.506 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -71.9 | -19.2 | -172.1 | 28.3 | -34.8 | 0 | 0 | 0 | 114.2 | L205 | P203-L205 PolarHBondContact O-N 2.95Š|
| 204 | D | 76.9 | Confident | 83.3 | Confident | 105 Ų | 105 | 51.9 Ų | 51.9 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | trans | -95.2 | 65.2 | -166.3 | -48.1 | -54.1 | 0 | 0 | 0 | 112.4 | C89 R90 S202 | C89-D204 HydrophobicContact CB-CB 4.18Å; C89-D204 WeakPolarHBondContact CB-O 3.34Å; R90-D204 VanDerWaalsContact CB-O 3.32Å; R90-D204 WeakPolarHBondContact CB-O 3.3Å; R90-D204 PolarHBondContact N-O 2.92Å; S202-D204 VanDerWaalsContact C-N 3.28Å; S202-D204 PolarHBondContact O-N 2.93Å | ||
| 205 | L | 89.1 | Confident | 82.9 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 138 | 169.3 | -177 | 73.8 | 0 | 0 | 0 | 109.8 | R90 L92 W126 A129 V131 L195 C197 P203 | R90-L205 CarbonylContact O-C 3.57Å; R90-L205 WeakPolarHBondContact O-CA 3.41Å; R90-L205 WeakPolarHBondContact O-CD1 3.26Å; L92-L205 HydrophobicContact CB-CD1 4.46Å; W126-L205 HydrophobicContact CZ3-CD2 4.36Å; A129-L205 HydrophobicContact CB-CD1 3.76Å; V131-L205 HydrophobicContact CG2-CD2 3.95Å; L195-L205 HydrophobicContact CB-CB 4.38Å; L195-L205 HydrophobicContact CB-CD2 4.27Å; L195-L205 HydrophobicContact CB-CG 4.46Å; L195-L205 HydrophobicContact CD1-CD2 4.17Å; L195-L205 PolarHBondContact N-O 3.48Å; C197-L205 VanDerWaalsContact SG-CD2 3.58Å; P203-L205 PolarHBondContact O-N 2.95Å |
| 206 | C | 92.3 | Very high | 81.8 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.02 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 141.3 | 174.6 | -53.5 | 0 | 0 | 0 | 0 | 113.4 | C89 R90 M91 L92 E192 I193 V208 | C89-C206 HydrophobicContact CB-CB 4.29Å; C89-C206 WeakPolarHBondContact CB-SG 3.48Å; C89-C206 WeakPolarHBondContact SG-CB 3.42Å; C89-C206 CovalentContact SG-SG 2.03Å; C89-C206 PolarHBondContact SG-SG 2.74Å; R90-C206 PolarHBondContact O-N 3.1Å; M91-C206 CarbonylContact C-O 3.12Å; M91-C206 WeakPolarHBondContact CA-O 3.41Å; L92-C206 WeakPolarHBondContact CB-O 3.49Å; L92-C206 PolarHBondContact N-O 2.84Å; E192-C206 HydrophobicContact CG-CB 4.26Å; I193-C206 CarbonylContact O-C 3.54Å; I193-C206 VanDerWaalsContact O-CA 3.26Å; I193-C206 WeakPolarHBondContact O-CA 3.5Å; C206-V208 HydrophobicContact CB-CG2 4.04Å |
| 207 | A | 92.9 | Very high | 80.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 120.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L92 F94 I174 I193 L195 | L92-A207 HydrophobicContact CD2-CB 4.09Å; F94-A207 HydrophobicContact CZ-CB 4.06Å; I174-A207 HydrophobicContact CD1-CB 3.76Å; I193-A207 HydrophobicContact CB-CB 4.35Å; I193-A207 PolarHBondContact N-O 2.82Å; I193-A207 PolarHBondContact O-N 2.86Å; L195-A207 HydrophobicContact CD1-CB 4.41Å |
| 208 | V | 94.2 | Very high | 78.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 131.5 | -175.3 | -171.5 | 0 | 0 | 0 | 0 | 111 | I86 M91 L106 W154 I190 V191 E192 C206 | I86-V208 HydrophobicContact CD1-CG1 3.74Å; M91-V208 HydrophobicContact CG-CG2 4.16Å; M91-V208 HydrophobicContact SD-CB 4.39Å; M91-V208 HydrophobicContact SD-CG2 4.27Å; L106-V208 HydrophobicContact CD2-CG1 4.47Å; L106-V208 HydrophobicContact CG-CG1 4.22Å; W154-V208 HydrophobicContact CH2-CG1 4.44Å; I190-V208 HydrophobicContact CG2-CG1 3.52Å; V191-V208 WeakPolarHBondContact O-CA 3.2Å; E192-V208 HydrophobicContact CB-CG2 4.29Å; E192-V208 HydrophobicContact CG-CG2 4.22Å; C206-V208 HydrophobicContact CB-CG2 4.04Å |
| 209 | F | 94.2 | Very high | 76.5 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 157.6 | -178.9 | 48.6 | -100.8 | 0 | 0 | 0 | 113.6 | F94 P107 V109 L111 F163 I190 V191 I193 V211 | F94-F209 HydrophobicContact CZ-CD1 4.24Å; P107-F209 HydrophobicContact CG-CB 4.13Å; V109-F209 HydrophobicContact CG1-CB 4.08Å; V109-F209 HydrophobicContact CG1-CG 4.48Å; V109-F209 HydrophobicContact CG2-CB 3.96Å; V109-F209 HydrophobicContact CG2-CD2 3.31Å; V109-F209 HydrophobicContact CG2-CE2 3.94Å; V109-F209 HydrophobicContact CG2-CG 3.77Å; L111-F209 HydrophobicContact CD2-CE2 4.38Å; F163-F209 HydrophobicContact CE1-CE2 4.41Å; F163-F209 AromaticContact CE1-CZ 3.77Å; F163-F209 HydrophobicContact CE1-CZ 3.77Å; F163-F209 HydrophobicContact CE2-CZ 4.32Å; F163-F209 HydrophobicContact CZ-CE2 4.11Å; F163-F209 AromaticContact CZ-CZ 3.65Å; F163-F209 HydrophobicContact CZ-CZ 3.65Å; I190-F209 WeakPolarHBondContact CA-O 3.41Å; V191-F209 HydrophobicContact CB-CD2 4.05Å; V191-F209 HydrophobicContact CB-CE2 3.6Å; V191-F209 HydrophobicContact CB-CZ 4.07Å; V191-F209 HydrophobicContact CG1-CE2 3.96Å; V191-F209 HydrophobicContact CG1-CZ 3.94Å; V191-F209 HydrophobicContact CG2-CE2 4.16Å; V191-F209 PolarHBondContact N-O 3.4Å; V191-F209 PolarHBondContact O-N 2.87Å; I193-F209 HydrophobicContact CD1-CE1 3.75Å; I193-F209 HydrophobicContact CD1-CZ 3.94Å; I193-F209 HydrophobicContact CG1-CE1 4.35Å; F209-V211 HydrophobicContact CD2-CG2 4.19Å; F209-V211 HydrophobicContact CE2-CG2 4.17Å |
| 210 | R | 94.5 | Very high | 75 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.3 | 174.5 | -67 | -178.5 | -77.7 | 145.6 | 2.6 | 109.4 | S35 D37 P73 A74 L106 P107 T108 V109 I190 | S35-R210 PolarHBondContact O-NH1 3.47Å; D37-R210 WeakPolarHBondContact OD1-CD 2.89Å; D37-R210 IonicContact OD1-CZ 3.9Å; D37-R210 IonicContact OD1-NE 2.86Å; D37-R210 IonicContact OD1-NH1 3.76Å; D37-R210 PolarHBondContact OD1-NH1 3.23Å; D37-R210 WeakPolarHBondContact OD2-CD 3.28Å; P73-R210 PolarHBondContact O-NH1 3.33Å; A74-R210 HydrophobicContact CB-CG 4.3Å; L106-R210 PolarHBondContact O-NE 3.13Å; L106-R210 PolarHBondContact O-NH2 3.48Å; P107-R210 PolarHBondContact O-N 3.15Å; T108-R210 CarbonylContact C-O 3.6Å; T108-R210 WeakPolarHBondContact CA-O 3.43Å; T108-R210 PolarHBondContact OG1-NH1 2.84Å; T108-R210 PolarHBondContact OG1-NH2 2.89Å; V109-R210 PolarHBondContact N-O 2.85Å; I190-R210 HydrophobicContact CG1-CG 4.42Å |
| 211 | V | 94.5 | Very high | 73.8 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.012 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 131.2 | 173.7 | -175.6 | 0 | 0 | 0 | 0 | 109.5 | V109 L111 L186 G188 K189 V191 F209 | V109-V211 WeakPolarHBondContact O-CA 3.44Å; L111-V211 HydrophobicContact CD1-CG1 3.96Å; L111-V211 HydrophobicContact CD1-CG2 4.04Å; L111-V211 HydrophobicContact CD2-CG2 4.49Å; L111-V211 HydrophobicContact CG-CG1 3.86Å; L111-V211 HydrophobicContact CG-CG2 4.06Å; L186-V211 VanDerWaalsContact O-CB 3.24Å; L186-V211 WeakPolarHBondContact O-CB 3.14Å; L186-V211 WeakPolarHBondContact O-CG1 3.11Å; G188-V211 WeakPolarHBondContact CA-O 3.45Å; G188-V211 PolarHBondContact N-O 3.45Å; K189-V211 PolarHBondContact O-N 3.22Å; V191-V211 HydrophobicContact CG2-CG2 3.78Å; F209-V211 HydrophobicContact CD2-CG2 4.19Å; F209-V211 HydrophobicContact CE2-CG2 4.17Å |
| 212 | I | 93.3 | Very high | 72.7 | Confident | 51 Ų | 51 | 49.3 Ų | 49.3 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -54.4 | 143.5 | 174.2 | -67.1 | 173.8 | 0 | 0 | 0 | 110.4 | F33 T108 V109 F110 G188 | F33-I212 HydrophobicContact CB-CD1 4.04Å; F33-I212 HydrophobicContact CD2-CD1 4.07Å; F33-I212 HydrophobicContact CG-CD1 4.41Å; T108-I212 HydrophobicContact CG2-CD1 4.45Å; T108-I212 HydrophobicContact CG2-CG1 3.52Å; V109-I212 WeakPolarHBondContact O-CG1 3.33Å; V109-I212 PolarHBondContact O-N 3.15Å; F110-I212 HydrophobicContact CB-CD1 4.17Å; G188-I212 PolarHBondContact N-O 2.04Å |
| 213 | G | 91.6 | Very high | 71.8 | Confident | 20 Ų | 20 | 49.6 Ų | 49.6 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 134.1 | -170.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | R31 | R31-G213 PolarHBondContact N-O 3.09Å; R31-G213 PolarHBondContact O-N 3.44Å; R31-G213 VanDerWaalsContact O-N 3.13Å |
| 214 | R | 88.3 | Confident | 70.7 | Confident | 128 Ų | 128 | 48.7 Ų | 48.7 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 135.2 | 168.8 | -48.9 | -167.4 | -170.8 | 124.9 | 3.9 | 107.8 | I29 T30 V216 | I29-R214 CarbonylContact O-C 3.57Å; T30-R214 HydrophobicContact CG2-CB 3.99Å; T30-R214 HydrophobicContact CG2-CG 3.64Å; R214-V216 HydrophobicContact CB-CG2 4.29Å; R214-V216 PolarHBondContact O-N 3.08Å |
| 215 | D | 83.2 | Confident | 69.1 | Low | 9 Ų | 9 | 47.2 Ų | 47.2 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | trans | -70.6 | 83.9 | 163.5 | -153.9 | -15.4 | 0 | 0 | 0 | 107.4 | I29 Q77 G188 K189 E217 | I29-D215 HydrophobicContact CB-CB 4.34Å; I29-D215 PolarHBondContact O-N 3.4Å; Q77-D215 PolarHBondContact NE2-OD2 3.01Å; G188-D215 VanDerWaalsContact O-CB 3.31Å; G188-D215 WeakPolarHBondContact O-CB 3.39Å; K189-D215 IonicContact NZ-OD1 3.97Å; K189-D215 PolarHBondContact NZ-OD1 3.22Å; K189-D215 IonicContact NZ-OD2 2.8Å; D215-E217 VanDerWaalsContact C-N 3.29Å; D215-E217 PolarHBondContact O-N 3.02Å; D215-E217 VanDerWaalsContact O-N 3.1Å | ||
| 216 | V | 67 | Low | 67 | Low | 93 Ų | 93 | 51.9 Ų | 51.9 | 56% | 0.564 | 30% | 0.301 | S | S | * | . | trans | -71.2 | 99.7 | 162.5 | -175.4 | 0 | 0 | 0 | 0 | 104.3 | R214 V218 | R214-V216 HydrophobicContact CB-CG2 4.29Å; R214-V216 PolarHBondContact O-N 3.08Å; V216-V218 HydrophobicContact CG1-CG2 4.27Å; V216-V218 PolarHBondContact O-N 3.32Å | ||
| 217 | E | 57.8 | Low | 64.8 | Low | 83 Ų | 83 | 55.7 Ų | 55.7 | 39% | 0.388 | 32% | 0.321 | S | S | . | . | trans | -57 | 87.4 | 146.6 | -74.2 | -170.5 | 156.7 | 0 | 0 | 106.1 | H151 D215 | H151-E217 IonicContact CE1-OE1 2.89Å; H151-E217 PolarHBondContact CE1-OE1 2.9Å; H151-E217 IonicContact ND1-OE1 3.69Å; H151-E217 PolarHBondContact ND1-OE1 2.92Å; D215-E217 VanDerWaalsContact C-N 3.29Å; D215-E217 PolarHBondContact O-N 3.02Å; D215-E217 VanDerWaalsContact O-N 3.1Å | ||
| 218 | V | 47.8 | Very low | 62.7 | Low | 91 Ų | 91 | 63.2 Ų | 63.2 | 55% | 0.552 | 35% | 0.349 | S | S | * | . | trans | -46.6 | 151 | 150.9 | -174.2 | 0 | 0 | 0 | 0 | 105 | V216 E220 | V216-V218 HydrophobicContact CG1-CG2 4.27Å; V216-V218 PolarHBondContact O-N 3.32Å; V218-E220 PolarHBondContact O-N 3.39Å | ||
| 219 | P | 38.4 | Very low | 60.5 | Low | 122 Ų | 122 | 68.1 Ų | 68.1 | 79% | 0.792 | 37% | 0.372 | S | S | * | . | trans | -64.7 | 60.7 | 151.6 | 30.9 | -34.8 | 0 | 0 | 0 | 109 | S221 | P219-S221 PolarHBondContact O-N 3.21Š| ||
| 220 | E | 35.6 | Very low | 58.3 | Low | 82 Ų | 82 | 70.6 Ų | 70.6 | 38% | 0.383 | 39% | 0.386 | S | S | . | . | trans | -47.5 | 124.9 | 158.1 | -178.9 | -174.9 | 158.4 | 0 | 0 | 103.9 | Y148 V218 A222 | Y148-E220 PolarHBondContact OH-OE1 3.39Å; Y148-E220 PolarHBondContact OH-OE2 3.47Å; V218-E220 PolarHBondContact O-N 3.39Å; E220-A222 PolarHBondContact O-N 3.17Å | ||
| 221 | S | 35.6 | Very low | 56.2 | Low | 58 Ų | 58 | 72.7 Ų | 72.7 | 41% | 0.406 | 40% | 0.4 | S | S | . | . | trans | -65.8 | 108.5 | -166.5 | -55.7 | 0 | 0 | 0 | 0 | 107.3 | P219 A223 S224 | P219-S221 PolarHBondContact O-N 3.21Å; S221-A223 WeakPolarHBondContact CB-O 3.21Å; S221-A223 CarbonylContact O-C 3.52Å; S221-A223 PolarHBondContact O-N 3.4Å; S221-S224 VanDerWaalsContact CB-N 3.28Å; S221-S224 PolarHBondContact O-N 3.03Å; S221-S224 PolarHBondContact O-OG 2.98Å; S221-S224 VanDerWaalsContact O-OG 3.13Å | ||
| 222 | A | 36.9 | Very low | 54.4 | Low | 67 Ų | 67 | 78.4 Ų | 78.4 | 55% | 0.554 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 48.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 109 | E220 Q226 | E220-A222 PolarHBondContact O-N 3.17Å; A222-Q226 HydrophobicContact CB-CB 4.39Å |
| 223 | A | 38.6 | Very low | 52.6 | Low | 42 Ų | 42 | 82.4 Ų | 82.4 | 35% | 0.347 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 165.8 | 11.1 | -137.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S221 N227 | S221-A223 WeakPolarHBondContact CB-O 3.21Å; S221-A223 CarbonylContact O-C 3.52Å; S221-A223 PolarHBondContact O-N 3.4Å; A223-N227 VanDerWaalsContact C-CG 3.42Å; A223-N227 WeakPolarHBondContact CA-ND2 3.5Å; A223-N227 WeakPolarHBondContact O-CB 3.32Å; A223-N227 VanDerWaalsContact O-CG 3.25Å; A223-N227 PolarHBondContact O-ND2 3.17Å |
| 224 | S | 41.6 | Very low | 51.1 | Low | 58 Ų | 58 | 85.2 Ų | 85.2 | 41% | 0.406 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -66.7 | 158.3 | 54.6 | 0 | 0 | 0 | 0 | 108.4 | S221 N227 R228 | S221-S224 VanDerWaalsContact CB-N 3.28Å; S221-S224 PolarHBondContact O-N 3.03Å; S221-S224 PolarHBondContact O-OG 2.98Å; S221-S224 VanDerWaalsContact O-OG 3.13Å; S224-N227 CarbonylContact O-C 3.43Å; S224-N227 VanDerWaalsContact O-C 3.3Å; S224-N227 PolarHBondContact O-N 3.45Å; S224-R228 PolarHBondContact O-N 3.29Å |
| 225 | N | 44.8 | Very low | 50 | Low | 75 Ų | 75 | 83.8 Ų | 83.8 | 40% | 0.401 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -44.7 | 169.8 | -75.1 | -21.7 | 0 | 0 | 0 | 111 | N227 R228 E229 | N225-N227 VanDerWaalsContact C-N 3.28Å; N225-N227 PolarHBondContact O-N 3.3Å; N225-R228 WeakPolarHBondContact O-CA 3.44Å; N225-R228 WeakPolarHBondContact O-CB 3.27Å; N225-R228 PolarHBondContact O-N 2.96Å; N225-E229 PolarHBondContact O-N 3.34Å; N225-E229 VanDerWaalsContact O-N 3.08Å |
| 226 | Q | 44.8 | Very low | 49.2 | Very low | 103 Ų | 103 | 89.9 Ų | 89.9 | 48% | 0.481 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.2 | -20.4 | 166.1 | -115.9 | -171.7 | 62 | 0 | 0 | 112.8 | A222 R228 N230 | A222-Q226 HydrophobicContact CB-CB 4.39Å; Q226-R228 VanDerWaalsContact C-N 3.31Å; Q226-N230 VanDerWaalsContact O-CA 3.28Å; Q226-N230 WeakPolarHBondContact O-CA 3.25Å; Q226-N230 WeakPolarHBondContact O-CB 3.44Å; Q226-N230 PolarHBondContact O-N 3.36Å; Q226-N230 PolarHBondContact O-ND2 3.3Å; Q226-N230 PolarHBondContact OE1-ND2 3.48Å |
| 227 | N | 45.1 | Very low | 49.5 | Very low | 83 Ų | 83 | 90.6 Ų | 90.6 | 44% | 0.444 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -82.5 | -4 | 162.6 | -88.8 | -14 | 0 | 0 | 0 | 112.8 | A223 S224 N225 S231 | A223-N227 VanDerWaalsContact C-CG 3.42Å; A223-N227 WeakPolarHBondContact CA-ND2 3.5Å; A223-N227 WeakPolarHBondContact O-CB 3.32Å; A223-N227 VanDerWaalsContact O-CG 3.25Å; A223-N227 PolarHBondContact O-ND2 3.17Å; S224-N227 CarbonylContact O-C 3.43Å; S224-N227 VanDerWaalsContact O-C 3.3Å; S224-N227 PolarHBondContact O-N 3.45Å; N225-N227 VanDerWaalsContact C-N 3.28Å; N225-N227 PolarHBondContact O-N 3.3Å; N227-S231 VanDerWaalsContact O-CA 3.3Å; N227-S231 WeakPolarHBondContact O-CA 3.34Å; N227-S231 WeakPolarHBondContact O-CB 3.37Å; N227-S231 PolarHBondContact O-N 2.78Å |
| 228 | R | 48.1 | Very low | 50.4 | Low | 157 Ų | 157 | 88.7 Ų | 88.7 | 59% | 0.592 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -84.2 | -55.5 | 171.5 | -151.5 | 168 | 178.9 | 157.2 | -0.5 | 108.5 | S224 N225 Q226 S231 E232 | S224-R228 PolarHBondContact O-N 3.29Å; N225-R228 WeakPolarHBondContact O-CA 3.44Å; N225-R228 WeakPolarHBondContact O-CB 3.27Å; N225-R228 PolarHBondContact O-N 2.96Å; Q226-R228 VanDerWaalsContact C-N 3.31Å; R228-S231 PolarHBondContact O-N 3.3Å; R228-E232 WeakPolarHBondContact O-CB 3.36Å; R228-E232 WeakPolarHBondContact O-CG 3.44Å; R228-E232 PolarHBondContact O-N 2.95Å |
| 229 | E | 48.4 | Very low | 52 | Low | 104 Ų | 104 | 89.6 Ų | 89.6 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 169.7 | -76.5 | -157.3 | 98.9 | 0 | 0 | 112.9 | N225 E232 R233 | N225-E229 PolarHBondContact O-N 3.34Å; N225-E229 VanDerWaalsContact O-N 3.08Å; E229-E232 PolarHBondContact O-N 3.11Å; E229-R233 WeakPolarHBondContact O-CB 3.31Å; E229-R233 VanDerWaalsContact O-CG 3.3Å; E229-R233 WeakPolarHBondContact O-CG 3.43Å; E229-R233 PolarHBondContact O-N 3.33Å; E229-R233 IonicContact OE1-CZ 2.67Å; E229-R233 IonicContact OE1-NH2 3.64Å; E229-R233 PolarHBondContact OE1-NH2 3.32Å |
| 230 | N | 49 | Very low | 54.1 | Low | 53 Ų | 53 | 87.6 Ų | 87.6 | 28% | 0.283 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -76.4 | -23.5 | 176.3 | -59 | -38.3 | 0 | 0 | 0 | 112.7 | Q226 T234 | Q226-N230 VanDerWaalsContact O-CA 3.28Å; Q226-N230 WeakPolarHBondContact O-CA 3.25Å; Q226-N230 WeakPolarHBondContact O-CB 3.44Å; Q226-N230 PolarHBondContact O-N 3.36Å; Q226-N230 PolarHBondContact O-ND2 3.3Å; Q226-N230 PolarHBondContact OE1-ND2 3.48Å; N230-T234 WeakPolarHBondContact O-CA 3.23Å; N230-T234 WeakPolarHBondContact O-CB 3.25Å; N230-T234 WeakPolarHBondContact O-CG2 3.47Å; N230-T234 PolarHBondContact O-N 3.1Å; N230-T234 PolarHBondContact O-OG1 3.43Å |
| 231 | S | 49.9 | Very low | 56.5 | Low | 45 Ų | 45 | 87.7 Ų | 87.7 | 32% | 0.315 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.9 | -42.8 | 168.1 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | N227 R228 R233 T234 N235 | N227-S231 VanDerWaalsContact O-CA 3.3Å; N227-S231 WeakPolarHBondContact O-CA 3.34Å; N227-S231 WeakPolarHBondContact O-CB 3.37Å; N227-S231 PolarHBondContact O-N 2.78Å; R228-S231 PolarHBondContact O-N 3.3Å; S231-R233 PolarHBondContact O-N 2.76Å; S231-T234 PolarHBondContact O-N 2.98Å; S231-N235 WeakPolarHBondContact O-CA 3.45Å; S231-N235 WeakPolarHBondContact O-CB 3.19Å; S231-N235 PolarHBondContact O-N 2.9Å; S231-N235 PolarHBondContact O-ND2 2.73Å; S231-N235 VanDerWaalsContact O-ND2 3.08Å; S231-N235 PolarHBondContact O-OD1 2.89Å; S231-N235 PolarHBondContact OG-ND2 3.23Å |
| 232 | E | 55.9 | Low | 58.9 | Low | 122 Ų | 122 | 87 Ų | 87 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.8 | -45.1 | 175.6 | -71.8 | 172.4 | -164.6 | 0 | 0 | 111.4 | R228 E229 Q236 | R228-E232 WeakPolarHBondContact O-CB 3.36Å; R228-E232 WeakPolarHBondContact O-CG 3.44Å; R228-E232 PolarHBondContact O-N 2.95Å; E229-E232 PolarHBondContact O-N 3.11Å; E232-Q236 WeakPolarHBondContact O-CB 3.39Å; E232-Q236 WeakPolarHBondContact O-CG 3.43Å; E232-Q236 PolarHBondContact O-N 2.92Å |
| 233 | R | 56.7 | Low | 61.3 | Low | 136 Ų | 136 | 88.6 Ų | 88.6 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.8 | -34.8 | 175.2 | -67.6 | 177.8 | -171 | 169.1 | 12 | 114 | E229 S231 L237 | E229-R233 WeakPolarHBondContact O-CB 3.31Å; E229-R233 VanDerWaalsContact O-CG 3.3Å; E229-R233 WeakPolarHBondContact O-CG 3.43Å; E229-R233 PolarHBondContact O-N 3.33Å; E229-R233 IonicContact OE1-CZ 2.67Å; E229-R233 IonicContact OE1-NH2 3.64Å; E229-R233 PolarHBondContact OE1-NH2 3.32Å; S231-R233 PolarHBondContact O-N 2.76Å; R233-L237 VanDerWaalsContact O-CB 3.27Å; R233-L237 WeakPolarHBondContact O-CB 3.31Å; R233-L237 WeakPolarHBondContact O-CG 3.4Å; R233-L237 PolarHBondContact O-N 3.14Å |
| 234 | T | 60.3 | Low | 63.7 | Low | 78 Ų | 78 | 90.3 Ų | 90.3 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -83.9 | -19.8 | 177.1 | 62 | 0 | 0 | 0 | 0 | 113.5 | N230 S231 G238 | N230-T234 WeakPolarHBondContact O-CA 3.23Å; N230-T234 WeakPolarHBondContact O-CB 3.25Å; N230-T234 WeakPolarHBondContact O-CG2 3.47Å; N230-T234 PolarHBondContact O-N 3.1Å; N230-T234 PolarHBondContact O-OG1 3.43Å; S231-T234 PolarHBondContact O-N 2.98Å; T234-G238 WeakPolarHBondContact O-CA 3.45Å; T234-G238 PolarHBondContact O-N 3.41Å |
| 235 | N | 64.4 | Low | 66.1 | Low | 99 Ų | 99 | 90.7 Ų | 90.7 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.6 | -42.5 | 166.3 | -66.8 | -20 | 0 | 0 | 0 | 109.2 | S231 L239 | S231-N235 WeakPolarHBondContact O-CA 3.45Å; S231-N235 WeakPolarHBondContact O-CB 3.19Å; S231-N235 PolarHBondContact O-N 2.9Å; S231-N235 PolarHBondContact O-ND2 2.73Å; S231-N235 VanDerWaalsContact O-ND2 3.08Å; S231-N235 PolarHBondContact O-OD1 2.89Å; S231-N235 PolarHBondContact OG-ND2 3.23Å; N235-L239 WeakPolarHBondContact O-CB 3.42Å; N235-L239 PolarHBondContact O-N 3.36Å |
| 236 | Q | 67.2 | Low | 68.3 | Low | 137 Ų | 137 | 88.9 Ų | 88.9 | 64% | 0.64 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.7 | -51.5 | 172.1 | -72.9 | 179.8 | 3.3 | 0 | 0 | 112.1 | E232 G238 L239 V240 | E232-Q236 WeakPolarHBondContact O-CB 3.39Å; E232-Q236 WeakPolarHBondContact O-CG 3.43Å; E232-Q236 PolarHBondContact O-N 2.92Å; Q236-G238 VanDerWaalsContact C-N 3.35Å; Q236-G238 PolarHBondContact O-N 2.95Å; Q236-L239 PolarHBondContact O-N 2.86Å; Q236-V240 WeakPolarHBondContact O-CG2 2.77Å; Q236-V240 PolarHBondContact O-N 3.46Å |
| 237 | L | 72.3 | Confident | 70.6 | Confident | 108 Ų | 108 | 87.9 Ų | 87.9 | 57% | 0.565 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.3 | -38.7 | 175.9 | -77.9 | 162.4 | 0 | 0 | 0 | 112.2 | R233 V240 V241 | R233-L237 VanDerWaalsContact O-CB 3.27Å; R233-L237 WeakPolarHBondContact O-CB 3.31Å; R233-L237 WeakPolarHBondContact O-CG 3.4Å; R233-L237 PolarHBondContact O-N 3.14Å; L237-V240 PolarHBondContact O-N 2.81Å; L237-V241 VanDerWaalsContact O-CB 3.32Å; L237-V241 WeakPolarHBondContact O-CB 3.12Å; L237-V241 VanDerWaalsContact O-CG2 3.25Å; L237-V241 WeakPolarHBondContact O-CG2 3.14Å; L237-V241 PolarHBondContact O-N 3.43Å |
| 238 | G | 77.5 | Confident | 72.9 | Confident | 42 Ų | 42 | 88.9 Ų | 88.9 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68 | -36.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T234 Q236 G242 | T234-G238 WeakPolarHBondContact O-CA 3.45Å; T234-G238 PolarHBondContact O-N 3.41Å; Q236-G238 VanDerWaalsContact C-N 3.35Å; Q236-G238 PolarHBondContact O-N 2.95Å; G238-G242 WeakPolarHBondContact O-CA 3.37Å; G238-G242 PolarHBondContact O-N 3.3Å |
| 239 | L | 81.1 | Confident | 75.1 | Confident | 110 Ų | 110 | 86.5 Ų | 86.5 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.2 | -44.6 | 171.1 | -176.7 | 152.8 | 0 | 0 | 0 | 111 | N235 Q236 G242 I243 | N235-L239 WeakPolarHBondContact O-CB 3.42Å; N235-L239 PolarHBondContact O-N 3.36Å; Q236-L239 PolarHBondContact O-N 2.86Å; L239-G242 PolarHBondContact O-N 3.13Å; L239-I243 HydrophobicContact CD2-CD1 3.6Å; L239-I243 HydrophobicContact CD2-CG1 4.47Å; L239-I243 HydrophobicContact CG-CD1 4.43Å; L239-I243 WeakPolarHBondContact O-CG1 3.09Å; L239-I243 PolarHBondContact O-N 3.32Å |
| 240 | V | 82.9 | Confident | 77.2 | Confident | 81 Ų | 81 | 84.1 Ų | 84.1 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -48.5 | 176.2 | 170.1 | 0 | 0 | 0 | 0 | 111.5 | Q236 L237 G242 I243 V244 | Q236-V240 WeakPolarHBondContact O-CG2 2.77Å; Q236-V240 PolarHBondContact O-N 3.46Å; L237-V240 PolarHBondContact O-N 2.81Å; V240-G242 VanDerWaalsContact C-N 3.33Å; V240-G242 PolarHBondContact O-N 2.83Å; V240-I243 PolarHBondContact O-N 2.69Å; V240-V244 WeakPolarHBondContact O-CG2 3.3Å; V240-V244 PolarHBondContact O-N 3.41Å |
| 241 | V | 86.2 | Confident | 79.4 | Confident | 84 Ų | 84 | 86.7 Ų | 86.7 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 175.9 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | L237 V244 C245 | L237-V241 VanDerWaalsContact O-CB 3.32Å; L237-V241 WeakPolarHBondContact O-CB 3.12Å; L237-V241 VanDerWaalsContact O-CG2 3.25Å; L237-V241 WeakPolarHBondContact O-CG2 3.14Å; L237-V241 PolarHBondContact O-N 3.43Å; V241-V244 PolarHBondContact O-N 2.79Å; V241-C245 WeakPolarHBondContact O-CB 3.47Å; V241-C245 PolarHBondContact O-N 3.03Å; V241-C245 PolarHBondContact O-SG 2.72Å; V241-C245 VanDerWaalsContact O-SG 3.39Å |
| 242 | G | 84.4 | Confident | 81.4 | Confident | 43 Ų | 43 | 86.8 Ų | 86.8 | 44% | 0.443 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G238 L239 V240 G246 | G238-G242 WeakPolarHBondContact O-CA 3.37Å; G238-G242 PolarHBondContact O-N 3.3Å; L239-G242 PolarHBondContact O-N 3.13Å; V240-G242 VanDerWaalsContact C-N 3.33Å; V240-G242 PolarHBondContact O-N 2.83Å; G242-G246 PolarHBondContact O-N 2.78Å |
| 243 | I | 88.7 | Confident | 83.3 | Confident | 101 Ų | 101 | 86.1 Ų | 86.1 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 174.3 | -70.9 | 172.9 | 0 | 0 | 0 | 110.7 | L239 V240 C245 G246 V247 | L239-I243 HydrophobicContact CD2-CD1 3.6Å; L239-I243 HydrophobicContact CD2-CG1 4.47Å; L239-I243 HydrophobicContact CG-CD1 4.43Å; L239-I243 WeakPolarHBondContact O-CG1 3.09Å; L239-I243 PolarHBondContact O-N 3.32Å; V240-I243 PolarHBondContact O-N 2.69Å; I243-C245 PolarHBondContact O-N 2.59Å; I243-G246 PolarHBondContact O-N 2.72Å; I243-V247 HydrophobicContact CG2-CG2 4.43Å; I243-V247 WeakPolarHBondContact O-CG2 3.24Å; I243-V247 PolarHBondContact O-N 2.8Å |
| 244 | V | 89.4 | Confident | 85 | Confident | 78 Ų | 78 | 83.7 Ų | 83.7 | 47% | 0.473 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -45.8 | -179.8 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | V240 V241 V247 I248 | V240-V244 WeakPolarHBondContact O-CG2 3.3Å; V240-V244 PolarHBondContact O-N 3.41Å; V241-V244 PolarHBondContact O-N 2.79Å; V244-V247 PolarHBondContact O-N 3.48Å; V244-I248 HydrophobicContact CG1-CD1 3.85Å; V244-I248 WeakPolarHBondContact O-CD1 3.34Å; V244-I248 VanDerWaalsContact O-CG1 3.27Å; V244-I248 WeakPolarHBondContact O-CG1 3.47Å; V244-I248 PolarHBondContact O-N 2.8Å |
| 245 | C | 90.5 | Very high | 86.6 | Confident | 65 Ų | 65 | 83.7 Ų | 83.7 | 44% | 0.439 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 174.4 | -72.6 | 0 | 0 | 0 | 0 | 112.1 | V241 I243 I248 L249 | V241-C245 WeakPolarHBondContact O-CB 3.47Å; V241-C245 PolarHBondContact O-N 3.03Å; V241-C245 PolarHBondContact O-SG 2.72Å; V241-C245 VanDerWaalsContact O-SG 3.39Å; I243-C245 PolarHBondContact O-N 2.59Å; C245-I248 PolarHBondContact O-N 2.89Å; C245-L249 WeakPolarHBondContact O-CB 3.05Å; C245-L249 VanDerWaalsContact O-CG 3.32Å; C245-L249 WeakPolarHBondContact O-CG 3.34Å; C245-L249 PolarHBondContact O-N 3.35Å |
| 246 | G | 91.4 | Very high | 88 | Confident | 38 Ų | 38 | 83.6 Ų | 83.6 | 39% | 0.392 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G242 I243 L249 A250 | G242-G246 PolarHBondContact O-N 2.78Å; I243-G246 PolarHBondContact O-N 2.72Å; G246-L249 PolarHBondContact O-N 3.46Å; G246-A250 WeakPolarHBondContact O-CB 3.41Å; G246-A250 PolarHBondContact O-N 3.35Å |
| 247 | V | 93.5 | Very high | 89.3 | Confident | 81 Ų | 81 | 80.6 Ų | 80.6 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 175.6 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | I243 V244 L249 A250 L251 | I243-V247 HydrophobicContact CG2-CG2 4.43Å; I243-V247 WeakPolarHBondContact O-CG2 3.24Å; I243-V247 PolarHBondContact O-N 2.8Å; V244-V247 PolarHBondContact O-N 3.48Å; V247-L249 PolarHBondContact O-N 3.36Å; V247-A250 PolarHBondContact O-N 3.45Å; V247-L251 HydrophobicContact CG1-CD1 3.96Å; V247-L251 HydrophobicContact CG1-CG 4.42Å; V247-L251 WeakPolarHBondContact O-CB 3.45Å; V247-L251 VanDerWaalsContact O-CG 3.3Å; V247-L251 WeakPolarHBondContact O-CG 3.5Å; V247-L251 PolarHBondContact O-N 2.77Å |
| 248 | I | 93.2 | Very high | 90.3 | Very high | 105 Ų | 105 | 79 Ų | 79 | 54% | 0.538 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 176.8 | -69.5 | 166.3 | 0 | 0 | 0 | 111.2 | V244 C245 S252 | V244-I248 HydrophobicContact CG1-CD1 3.85Å; V244-I248 WeakPolarHBondContact O-CD1 3.34Å; V244-I248 VanDerWaalsContact O-CG1 3.27Å; V244-I248 WeakPolarHBondContact O-CG1 3.47Å; V244-I248 PolarHBondContact O-N 2.8Å; C245-I248 PolarHBondContact O-N 2.89Å; I248-S252 WeakPolarHBondContact O-CB 3.33Å; I248-S252 PolarHBondContact O-N 2.77Å |
| 249 | L | 94.2 | Very high | 91 | Very high | 107 Ų | 107 | 83.2 Ų | 83.2 | 56% | 0.56 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.3 | -45.6 | 176.1 | -73.1 | 172.2 | 0 | 0 | 0 | 111.7 | C245 G246 V247 L251 S252 L253 | C245-L249 WeakPolarHBondContact O-CB 3.05Å; C245-L249 VanDerWaalsContact O-CG 3.32Å; C245-L249 WeakPolarHBondContact O-CG 3.34Å; C245-L249 PolarHBondContact O-N 3.35Å; G246-L249 PolarHBondContact O-N 3.46Å; V247-L249 PolarHBondContact O-N 3.36Å; L249-L251 PolarHBondContact O-N 3.32Å; L249-S252 PolarHBondContact O-N 2.94Å; L249-S252 PolarHBondContact O-OG 3.34Å; L249-L253 WeakPolarHBondContact O-CG 3.48Å; L249-L253 PolarHBondContact O-N 2.71Å |
| 250 | A | 91.9 | Very high | 91.6 | Very high | 54 Ų | 54 | 86.2 Ų | 86.2 | 45% | 0.446 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.3 | -46.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G246 V247 S252 L253 V254 | G246-A250 WeakPolarHBondContact O-CB 3.41Å; G246-A250 PolarHBondContact O-N 3.35Å; V247-A250 PolarHBondContact O-N 3.45Å; A250-S252 PolarHBondContact O-N 2.88Å; A250-L253 PolarHBondContact O-N 2.67Å; A250-V254 WeakPolarHBondContact O-CG2 3.44Å; A250-V254 PolarHBondContact O-N 3.13Å |
| 251 | L | 95.2 | Very high | 91.9 | Very high | 107 Ų | 107 | 86.4 Ų | 86.4 | 56% | 0.56 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62 | -41.1 | 175.3 | -71.4 | 171.9 | 0 | 0 | 0 | 112 | V247 L249 L253 V254 V255 | V247-L251 HydrophobicContact CG1-CD1 3.96Å; V247-L251 HydrophobicContact CG1-CG 4.42Å; V247-L251 WeakPolarHBondContact O-CB 3.45Å; V247-L251 VanDerWaalsContact O-CG 3.3Å; V247-L251 WeakPolarHBondContact O-CG 3.5Å; V247-L251 PolarHBondContact O-N 2.77Å; L249-L251 PolarHBondContact O-N 3.32Å; L251-L253 PolarHBondContact O-N 3.43Å; L251-V254 PolarHBondContact O-N 2.83Å; L251-V255 WeakPolarHBondContact O-CG2 3.34Å; L251-V255 PolarHBondContact O-N 2.75Å |
| 252 | S | 92.8 | Very high | 92.2 | Very high | 47 Ų | 47 | 86.2 Ų | 86.2 | 33% | 0.329 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 177.2 | 77.9 | 0 | 0 | 0 | 0 | 112.5 | I248 L249 A250 V255 I256 | I248-S252 WeakPolarHBondContact O-CB 3.33Å; I248-S252 PolarHBondContact O-N 2.77Å; L249-S252 PolarHBondContact O-N 2.94Å; L249-S252 PolarHBondContact O-OG 3.34Å; A250-S252 PolarHBondContact O-N 2.88Å; S252-V255 PolarHBondContact O-N 3.35Å; S252-I256 WeakPolarHBondContact O-CB 3.34Å; S252-I256 WeakPolarHBondContact O-CD1 3.33Å; S252-I256 VanDerWaalsContact O-CG1 3.23Å; S252-I256 WeakPolarHBondContact O-CG1 3.27Å; S252-I256 PolarHBondContact O-N 3.48Å |
| 253 | L | 94.7 | Very high | 92.3 | Very high | 107 Ų | 107 | 86.7 Ų | 86.7 | 56% | 0.56 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.4 | -39.2 | 176.4 | -70.6 | 172.4 | 0 | 0 | 0 | 112.1 | L249 A250 L251 I256 T257 | L249-L253 WeakPolarHBondContact O-CG 3.48Å; L249-L253 PolarHBondContact O-N 2.71Å; A250-L253 PolarHBondContact O-N 2.67Å; L251-L253 PolarHBondContact O-N 3.43Å; L253-I256 PolarHBondContact O-N 3.33Å; L253-T257 WeakPolarHBondContact O-CG2 3.33Å; L253-T257 PolarHBondContact O-N 2.95Å; L253-T257 PolarHBondContact O-OG1 2.88Å |
| 254 | V | 94.2 | Very high | 92.2 | Very high | 85 Ų | 85 | 88.3 Ų | 88.3 | 52% | 0.515 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 172.2 | 170 | 0 | 0 | 0 | 0 | 111 | A250 L251 I256 T257 V258 | A250-V254 WeakPolarHBondContact O-CG2 3.44Å; A250-V254 PolarHBondContact O-N 3.13Å; L251-V254 PolarHBondContact O-N 2.83Å; V254-I256 VanDerWaalsContact C-N 3.35Å; V254-I256 PolarHBondContact O-N 2.83Å; V254-T257 PolarHBondContact O-N 2.7Å; V254-T257 PolarHBondContact O-OG1 2.79Å; V254-T257 VanDerWaalsContact O-OG1 3.12Å; V254-V258 HydrophobicContact CG1-CG2 4.5Å; V254-V258 WeakPolarHBondContact O-CB 3.36Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.3Å; V254-V258 PolarHBondContact O-N 3.23Å |
| 255 | V | 93.5 | Very high | 92.2 | Very high | 79 Ų | 79 | 91.6 Ų | 91.6 | 48% | 0.479 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 175.2 | 168.9 | 0 | 0 | 0 | 0 | 111.2 | L251 S252 V258 F259 | L251-V255 WeakPolarHBondContact O-CG2 3.34Å; L251-V255 PolarHBondContact O-N 2.75Å; S252-V255 PolarHBondContact O-N 3.35Å; V255-V258 PolarHBondContact O-N 2.98Å; V255-F259 HydrophobicContact CG1-CD2 3.65Å; V255-F259 HydrophobicContact CG1-CE2 3.67Å; V255-F259 VanDerWaalsContact O-CD2 3.26Å; V255-F259 WeakPolarHBondContact O-CD2 3.38Å; V255-F259 PolarHBondContact O-N 3.36Å |
| 256 | I | 94.3 | Very high | 91.7 | Very high | 97 Ų | 97 | 93.3 Ų | 93.3 | 50% | 0.497 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 177.1 | -71.1 | 162.8 | 0 | 0 | 0 | 111.7 | S252 L253 V254 F259 W260 | S252-I256 WeakPolarHBondContact O-CB 3.34Å; S252-I256 WeakPolarHBondContact O-CD1 3.33Å; S252-I256 VanDerWaalsContact O-CG1 3.23Å; S252-I256 WeakPolarHBondContact O-CG1 3.27Å; S252-I256 PolarHBondContact O-N 3.48Å; L253-I256 PolarHBondContact O-N 3.33Å; V254-I256 VanDerWaalsContact C-N 3.35Å; V254-I256 PolarHBondContact O-N 2.83Å; I256-F259 PolarHBondContact O-N 3.34Å; I256-W260 WeakPolarHBondContact O-CB 3.34Å; I256-W260 PolarHBondContact O-N 3.48Å |
| 257 | T | 93.6 | Very high | 91.2 | Very high | 74 Ų | 74 | 97.2 Ų | 97.2 | 45% | 0.454 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.8 | -33.9 | 178.7 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | L253 V254 W260 T261 | L253-T257 WeakPolarHBondContact O-CG2 3.33Å; L253-T257 PolarHBondContact O-N 2.95Å; L253-T257 PolarHBondContact O-OG1 2.88Å; V254-T257 PolarHBondContact O-N 2.7Å; V254-T257 PolarHBondContact O-OG1 2.79Å; V254-T257 VanDerWaalsContact O-OG1 3.12Å; T257-W260 PolarHBondContact O-N 3.24Å; T257-T261 WeakPolarHBondContact O-CB 3.43Å; T257-T261 WeakPolarHBondContact O-CG2 3.5Å; T257-T261 PolarHBondContact O-N 3.45Å; T257-T261 PolarHBondContact O-OG1 2.99Å |
| 258 | V | 93.7 | Very high | 90.5 | Very high | 73 Ų | 73 | 99 Ų | 99 | 44% | 0.442 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 170.5 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | V254 V255 W260 T261 I262 | V254-V258 HydrophobicContact CG1-CG2 4.5Å; V254-V258 WeakPolarHBondContact O-CB 3.36Å; V254-V258 VanDerWaalsContact O-CG2 3.29Å; V254-V258 WeakPolarHBondContact O-CG2 3.3Å; V254-V258 PolarHBondContact O-N 3.23Å; V255-V258 PolarHBondContact O-N 2.98Å; V258-W260 PolarHBondContact O-N 3.48Å; V258-T261 PolarHBondContact O-N 3.02Å; V258-T261 PolarHBondContact O-OG1 3.44Å; V258-I262 HydrophobicContact CG1-CD1 3.79Å; V258-I262 WeakPolarHBondContact O-CB 3.45Å; V258-I262 WeakPolarHBondContact O-CD1 3.24Å; V258-I262 VanDerWaalsContact O-CG1 3.24Å; V258-I262 WeakPolarHBondContact O-CG1 3.39Å; V258-I262 PolarHBondContact O-N 2.9Å |
| 259 | F | 92.3 | Very high | 89.9 | Confident | 131 Ų | 131 | 97.8 Ų | 97.8 | 58% | 0.575 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.7 | -40 | 174.9 | -85.7 | -62.9 | 0 | 0 | 0 | 112.7 | V255 I256 I262 C263 | V255-F259 HydrophobicContact CG1-CD2 3.65Å; V255-F259 HydrophobicContact CG1-CE2 3.67Å; V255-F259 VanDerWaalsContact O-CD2 3.26Å; V255-F259 WeakPolarHBondContact O-CD2 3.38Å; V255-F259 PolarHBondContact O-N 3.36Å; I256-F259 PolarHBondContact O-N 3.34Å; F259-I262 PolarHBondContact O-N 3.17Å; F259-C263 WeakPolarHBondContact O-CB 3.38Å; F259-C263 PolarHBondContact O-N 2.98Å; F259-C263 PolarHBondContact O-SG 2.96Å |
| 260 | W | 92.3 | Very high | 89 | Confident | 173 Ų | 173 | 99.1 Ų | 99.1 | 66% | 0.655 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66 | -44.4 | 178.3 | -169.1 | 3.9 | 0 | 0 | 0 | 111.5 | I256 T257 V258 I262 C263 W264 | I256-W260 WeakPolarHBondContact O-CB 3.34Å; I256-W260 PolarHBondContact O-N 3.48Å; T257-W260 PolarHBondContact O-N 3.24Å; V258-W260 PolarHBondContact O-N 3.48Å; W260-I262 PolarHBondContact O-N 3.31Å; W260-C263 PolarHBondContact O-N 3.05Å; W260-W264 WeakPolarHBondContact O-CB 3.2Å; W260-W264 PolarHBondContact O-N 2.73Å |
| 261 | T | 91 | Very high | 88.1 | Confident | 85 Ų | 85 | 101 Ų | 101 | 52% | 0.521 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.2 | -39.1 | 176.5 | 49.7 | 0 | 0 | 0 | 0 | 112.5 | T257 V258 K265 | T257-T261 WeakPolarHBondContact O-CB 3.43Å; T257-T261 WeakPolarHBondContact O-CG2 3.5Å; T257-T261 PolarHBondContact O-N 3.45Å; T257-T261 PolarHBondContact O-OG1 2.99Å; V258-T261 PolarHBondContact O-N 3.02Å; V258-T261 PolarHBondContact O-OG1 3.44Å; T261-K265 WeakPolarHBondContact O-CB 3.07Å; T261-K265 PolarHBondContact O-N 3.24Å |
| 262 | I | 90.9 | Very high | 87 | Confident | 81 Ų | 81 | 98.2 Ų | 98.2 | 42% | 0.415 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -49.9 | 173 | -67.8 | 166.3 | 0 | 0 | 0 | 111.1 | V258 F259 W260 W264 K265 Q266 | V258-I262 HydrophobicContact CG1-CD1 3.79Å; V258-I262 WeakPolarHBondContact O-CB 3.45Å; V258-I262 WeakPolarHBondContact O-CD1 3.24Å; V258-I262 VanDerWaalsContact O-CG1 3.24Å; V258-I262 WeakPolarHBondContact O-CG1 3.39Å; V258-I262 PolarHBondContact O-N 2.9Å; F259-I262 PolarHBondContact O-N 3.17Å; W260-I262 PolarHBondContact O-N 3.31Å; I262-W264 PolarHBondContact O-N 3.15Å; I262-K265 PolarHBondContact O-N 3.44Å; I262-Q266 PolarHBondContact O-N 3.42Å |
| 263 | C | 87.9 | Confident | 86.1 | Confident | 53 Ų | 53 | 103 Ų | 103 | 36% | 0.358 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 179.8 | -68.3 | 0 | 0 | 0 | 0 | 111.8 | F259 W260 Q266 Q267 | F259-C263 WeakPolarHBondContact O-CB 3.38Å; F259-C263 PolarHBondContact O-N 2.98Å; F259-C263 PolarHBondContact O-SG 2.96Å; W260-C263 PolarHBondContact O-N 3.05Å; C263-Q266 PolarHBondContact O-N 2.78Å; C263-Q267 WeakPolarHBondContact O-CB 3.31Å; C263-Q267 PolarHBondContact O-N 2.7Å |
| 264 | W | 86.3 | Confident | 85 | Confident | 134 Ų | 134 | 105.3 Ų | 105.3 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.1 | -37.6 | 179.6 | -167.7 | 14.6 | 0 | 0 | 0 | 111.7 | W260 I262 Q267 K268 | W260-W264 WeakPolarHBondContact O-CB 3.2Å; W260-W264 PolarHBondContact O-N 2.73Å; I262-W264 PolarHBondContact O-N 3.15Å; W264-Q267 PolarHBondContact O-N 3.31Å; W264-K268 WeakPolarHBondContact O-CG 3.45Å; W264-K268 PolarHBondContact O-N 2.81Å |
| 265 | K | 88.1 | Confident | 83.9 | Confident | 147 Ų | 147 | 106.6 Ų | 106.6 | 64% | 0.639 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.3 | -52.5 | 171.4 | -172 | 171.7 | -177.4 | 175.8 | 0 | 110.9 | T261 I262 Q267 K268 D269 | T261-K265 WeakPolarHBondContact O-CB 3.07Å; T261-K265 PolarHBondContact O-N 3.24Å; I262-K265 PolarHBondContact O-N 3.44Å; K265-Q267 VanDerWaalsContact C-N 3.26Å; K265-Q267 PolarHBondContact O-N 3.02Å; K265-K268 PolarHBondContact O-N 3.28Å; K265-K268 VanDerWaalsContact O-N 3.16Å; K265-D269 VanDerWaalsContact O-CG 3.24Å; K265-D269 PolarHBondContact O-N 2.87Å |
| 266 | Q | 81.4 | Confident | 82.5 | Confident | 102 Ų | 102 | 108.9 Ų | 108.9 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -33.7 | 176.6 | -69.3 | -171.3 | 8.3 | 0 | 0 | 113.2 | I262 C263 R270 | I262-Q266 PolarHBondContact O-N 3.42Å; C263-Q266 PolarHBondContact O-N 2.78Å; Q266-R270 WeakPolarHBondContact O-CG 3.38Å; Q266-R270 PolarHBondContact O-N 2.81Å |
| 267 | Q | 80.2 | Confident | 81.6 | Confident | 119 Ų | 119 | 111 Ų | 111 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72.3 | -39 | 176.9 | -169.5 | 174.1 | 2.8 | 0 | 0 | 112.2 | C263 W264 K265 R270 L271 | C263-Q267 WeakPolarHBondContact O-CB 3.31Å; C263-Q267 PolarHBondContact O-N 2.7Å; W264-Q267 PolarHBondContact O-N 3.31Å; K265-Q267 VanDerWaalsContact C-N 3.26Å; K265-Q267 PolarHBondContact O-N 3.02Å; Q267-R270 PolarHBondContact O-N 2.69Å; Q267-L271 HydrophobicContact CG-CD1 4.4Å; Q267-L271 WeakPolarHBondContact O-CG 3.06Å; Q267-L271 PolarHBondContact O-N 2.95Å |
| 268 | K | 79.3 | Confident | 80.5 | Confident | 119 Ų | 119 | 113.7 Ų | 113.7 | 52% | 0.517 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.3 | -45.7 | 170.7 | -76.4 | -177.8 | 177.3 | -176.6 | 0 | 111.1 | W264 K265 R270 L271 A272 | W264-K268 WeakPolarHBondContact O-CG 3.45Å; W264-K268 PolarHBondContact O-N 2.81Å; K265-K268 PolarHBondContact O-N 3.28Å; K265-K268 VanDerWaalsContact O-N 3.16Å; K268-R270 VanDerWaalsContact C-N 3.32Å; K268-R270 PolarHBondContact O-N 2.85Å; K268-L271 PolarHBondContact O-N 3.08Å; K268-L271 VanDerWaalsContact O-N 3.15Å; K268-A272 PolarHBondContact O-N 3.08Å |
| 269 | D | 80.4 | Confident | 79.7 | Confident | 79 Ų | 79 | 113.9 Ų | 113.9 | 42% | 0.422 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 178.4 | -61.1 | -25.9 | 0 | 0 | 0 | 112.3 | K265 K273 | K265-D269 VanDerWaalsContact O-CG 3.24Å; K265-D269 PolarHBondContact O-N 2.87Å; D269-K273 VanDerWaalsContact O-CG 3.3Å; D269-K273 WeakPolarHBondContact O-CG 3.34Å; D269-K273 PolarHBondContact O-N 2.91Å |
| 270 | R | 75.7 | Confident | 78.8 | Confident | 135 Ų | 135 | 112.9 Ų | 112.9 | 51% | 0.509 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.4 | -36.8 | 173.8 | -73.9 | -179.4 | -171.3 | -152.1 | 7.6 | 112.7 | Q266 Q267 K268 K274 | Q266-R270 WeakPolarHBondContact O-CG 3.38Å; Q266-R270 PolarHBondContact O-N 2.81Å; Q267-R270 PolarHBondContact O-N 2.69Å; K268-R270 VanDerWaalsContact C-N 3.32Å; K268-R270 PolarHBondContact O-N 2.85Å; R270-K274 PolarHBondContact O-N 2.9Å; R270-K274 VanDerWaalsContact O-N 3.16Å |
| 271 | L | 71.7 | Confident | 77.9 | Confident | 95 Ų | 95 | 108.5 Ų | 108.5 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.2 | -45 | 176.8 | -77 | 165.6 | 0 | 0 | 0 | 111.8 | Q267 K268 K273 K274 I275 | Q267-L271 HydrophobicContact CG-CD1 4.4Å; Q267-L271 WeakPolarHBondContact O-CG 3.06Å; Q267-L271 PolarHBondContact O-N 2.95Å; K268-L271 PolarHBondContact O-N 3.08Å; K268-L271 VanDerWaalsContact O-N 3.15Å; L271-K273 VanDerWaalsContact C-N 3.33Å; L271-K273 PolarHBondContact O-N 3.06Å; L271-K274 PolarHBondContact O-N 3.26Å; L271-K274 VanDerWaalsContact O-N 3.16Å; L271-I275 WeakPolarHBondContact O-CG1 3.35Å; L271-I275 PolarHBondContact O-N 3.35Å |
| 272 | A | 72.4 | Confident | 76.9 | Confident | 48 Ų | 48 | 110.5 Ų | 110.5 | 40% | 0.397 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -56.4 | -46.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | K268 K274 I275 Q276 | K268-A272 PolarHBondContact O-N 3.08Å; A272-K274 PolarHBondContact O-N 2.87Å; A272-I275 PolarHBondContact O-N 3.32Å; A272-Q276 WeakPolarHBondContact O-CG 3.4Å; A272-Q276 PolarHBondContact O-N 3.41Å |
| 273 | K | 73.8 | Confident | 75.9 | Confident | 148 Ų | 148 | 111.6 Ų | 111.6 | 64% | 0.643 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.3 | -37.1 | 176.9 | -72 | 175.4 | -178.4 | -175.9 | 0 | 113.2 | D269 L271 F277 | D269-K273 VanDerWaalsContact O-CG 3.3Å; D269-K273 WeakPolarHBondContact O-CG 3.34Å; D269-K273 PolarHBondContact O-N 2.91Å; L271-K273 VanDerWaalsContact C-N 3.33Å; L271-K273 PolarHBondContact O-N 3.06Å; K273-F277 WeakPolarHBondContact O-CB 3.44Å; K273-F277 PolarHBondContact O-N 2.86Å |
| 274 | K | 71.1 | Confident | 75 | Confident | 155 Ų | 155 | 117 Ų | 117 | 67% | 0.674 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.2 | -43.5 | 173.8 | -81.3 | -169.5 | 172.2 | -165.7 | 0 | 112.3 | R270 L271 A272 F277 H278 | R270-K274 PolarHBondContact O-N 2.9Å; R270-K274 VanDerWaalsContact O-N 3.16Å; L271-K274 PolarHBondContact O-N 3.26Å; L271-K274 VanDerWaalsContact O-N 3.16Å; A272-K274 PolarHBondContact O-N 2.87Å; K274-F277 PolarHBondContact O-N 3.34Å; K274-H278 PolarHBondContact O-N 3.47Å |
| 275 | I | 71.2 | Confident | 73.9 | Confident | 111 Ų | 111 | 115.7 Ų | 115.7 | 57% | 0.569 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.8 | -46.8 | 178.6 | -65.7 | 166 | 0 | 0 | 0 | 110.3 | L271 A272 F277 H278 V279 | L271-I275 WeakPolarHBondContact O-CG1 3.35Å; L271-I275 PolarHBondContact O-N 3.35Å; A272-I275 PolarHBondContact O-N 3.32Å; I275-F277 VanDerWaalsContact C-N 3.32Å; I275-F277 PolarHBondContact O-N 3.05Å; I275-H278 PolarHBondContact O-N 2.71Å; I275-V279 HydrophobicContact CG2-CG2 4.38Å; I275-V279 WeakPolarHBondContact O-CG2 3.36Å; I275-V279 PolarHBondContact O-N 2.82Å |
| 276 | Q | 64.2 | Low | 72.5 | Confident | 128 Ų | 128 | 115.5 Ų | 115.5 | 60% | 0.598 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.2 | -41 | 175.9 | -72.9 | -178.2 | -55.1 | 0 | 0 | 112.6 | A272 L280 | A272-Q276 WeakPolarHBondContact O-CG 3.4Å; A272-Q276 PolarHBondContact O-N 3.41Å; Q276-L280 WeakPolarHBondContact O-CB 3.5Å; Q276-L280 WeakPolarHBondContact O-CG 3.47Å; Q276-L280 PolarHBondContact O-N 2.93Å |
| 277 | F | 76.7 | Confident | 71.5 | Confident | 141 Ų | 141 | 116.1 Ų | 116.1 | 62% | 0.618 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 175.9 | -172.9 | -98 | 0 | 0 | 0 | 112.4 | K273 K274 I275 L281 | K273-F277 WeakPolarHBondContact O-CB 3.44Å; K273-F277 PolarHBondContact O-N 2.86Å; K274-F277 PolarHBondContact O-N 3.34Å; I275-F277 VanDerWaalsContact C-N 3.32Å; I275-F277 PolarHBondContact O-N 3.05Å; F277-L281 WeakPolarHBondContact O-CB 3.36Å; F277-L281 PolarHBondContact O-N 2.82Å |
| 278 | H | 70.3 | Confident | 70.5 | Confident | 130 Ų | 130 | 117.6 Ų | 117.6 | 60% | 0.602 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -67.2 | -40.4 | 177.7 | -121.1 | 34.3 | 0 | 0 | 0 | 112.6 | K274 I275 L281 Q282 | K274-H278 PolarHBondContact O-N 3.47Å; I275-H278 PolarHBondContact O-N 2.71Å; H278-L281 PolarHBondContact O-N 3Å; H278-Q282 VanDerWaalsContact O-CB 3.3Å; H278-Q282 WeakPolarHBondContact O-CB 3.4Å; H278-Q282 PolarHBondContact O-N 2.98Å |
| 279 | V | 76.6 | Confident | 69.1 | Low | 78 Ų | 78 | 116.9 Ų | 116.9 | 47% | 0.473 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.7 | -45.6 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | I275 L281 Q282 Q283 | I275-V279 HydrophobicContact CG2-CG2 4.38Å; I275-V279 WeakPolarHBondContact O-CG2 3.36Å; I275-V279 PolarHBondContact O-N 2.82Å; V279-L281 PolarHBondContact O-N 3.21Å; V279-Q282 PolarHBondContact O-N 3.09Å; V279-Q283 WeakPolarHBondContact O-CB 3.41Å; V279-Q283 PolarHBondContact O-N 3.32Å |
| 280 | L | 73.9 | Confident | 67.8 | Low | 109 Ų | 109 | 119.3 Ų | 119.3 | 57% | 0.571 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.3 | -37.6 | 176.8 | -72.2 | 170.4 | 0 | 0 | 0 | 112.6 | Q276 R284 | Q276-L280 WeakPolarHBondContact O-CB 3.5Å; Q276-L280 WeakPolarHBondContact O-CG 3.47Å; Q276-L280 PolarHBondContact O-N 2.93Å; L280-R284 WeakPolarHBondContact O-CG 3.44Å; L280-R284 PolarHBondContact O-N 2.8Å |
| 281 | L | 72.8 | Confident | 66.9 | Low | 81 Ų | 81 | 115.9 Ų | 115.9 | 42% | 0.424 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.4 | -44.3 | 175.6 | -167.4 | 76.3 | 0 | 0 | 0 | 111.5 | F277 H278 V279 R284 L285 | F277-L281 WeakPolarHBondContact O-CB 3.36Å; F277-L281 PolarHBondContact O-N 2.82Å; H278-L281 PolarHBondContact O-N 3Å; V279-L281 PolarHBondContact O-N 3.21Å; L281-R284 PolarHBondContact O-N 2.71Å; L281-L285 HydrophobicContact CG-CD1 4.36Å; L281-L285 WeakPolarHBondContact O-CG 3.16Å; L281-L285 PolarHBondContact O-N 2.98Å |
| 282 | Q | 68.9 | Low | 66 | Low | 127 Ų | 127 | 116 Ų | 116 | 59% | 0.593 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.1 | -41.3 | 177 | -176.1 | 177.3 | -18.2 | 0 | 0 | 111.4 | H278 V279 L285 Q286 | H278-Q282 VanDerWaalsContact O-CB 3.3Å; H278-Q282 WeakPolarHBondContact O-CB 3.4Å; H278-Q282 PolarHBondContact O-N 2.98Å; V279-Q282 PolarHBondContact O-N 3.09Å; Q282-L285 PolarHBondContact O-N 3.49Å; Q282-Q286 WeakPolarHBondContact O-CB 3.29Å; Q282-Q286 PolarHBondContact O-N 2.87Å |
| 283 | Q | 71.9 | Confident | 64.8 | Low | 104 Ų | 104 | 122 Ų | 122 | 49% | 0.486 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -62.7 | -42.3 | 175.5 | -172.5 | 172.8 | -7 | 0 | 0 | 111.7 | V279 Q286 E287 | V279-Q283 WeakPolarHBondContact O-CB 3.41Å; V279-Q283 PolarHBondContact O-N 3.32Å; Q283-Q286 PolarHBondContact O-N 3.02Å; Q283-E287 WeakPolarHBondContact O-CG 3.47Å; Q283-E287 PolarHBondContact O-N 3.28Å |
| 284 | R | 68.9 | Low | 63.6 | Low | 167 Ų | 167 | 125 Ų | 125 | 63% | 0.63 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.4 | -41 | 173.5 | -77.1 | -56.4 | -154.6 | 177.5 | 6.4 | 113.4 | L280 L281 Q286 E287 Q288 | L280-R284 WeakPolarHBondContact O-CG 3.44Å; L280-R284 PolarHBondContact O-N 2.8Å; L281-R284 PolarHBondContact O-N 2.71Å; R284-Q286 VanDerWaalsContact C-N 3.29Å; R284-Q286 PolarHBondContact O-N 3.28Å; R284-E287 VanDerWaalsContact CD-OE2 3.27Å; R284-E287 WeakPolarHBondContact CD-OE2 3.42Å; R284-E287 IonicContact CZ-OE2 2.83Å; R284-E287 IonicContact NE-OE2 3.76Å; R284-E287 IonicContact NH1-OE2 3.48Å; R284-E287 PolarHBondContact NH1-OE2 2.84Å; R284-E287 PolarHBondContact O-N 3.29Å; R284-Q288 PolarHBondContact O-N 3.26Å; R284-Q288 VanDerWaalsContact O-N 3.17Å |
| 285 | L | 62.2 | Low | 62.6 | Low | 107 Ų | 107 | 126.3 Ų | 126.3 | 56% | 0.56 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.7 | -33.7 | 175.5 | -72.8 | 166.4 | 0 | 0 | 0 | 112.1 | L281 Q282 Q288 N289 | L281-L285 HydrophobicContact CG-CD1 4.36Å; L281-L285 WeakPolarHBondContact O-CG 3.16Å; L281-L285 PolarHBondContact O-N 2.98Å; Q282-L285 PolarHBondContact O-N 3.49Å; L285-Q288 PolarHBondContact O-N 2.98Å; L285-N289 PolarHBondContact O-N 2.95Å |
| 286 | Q | 58.7 | Low | 61.3 | Low | 143 Ų | 143 | 128.7 Ų | 128.7 | 67% | 0.668 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -72.1 | -35.6 | 175.9 | -172.2 | 174.1 | -16.4 | 0 | 0 | 112.7 | Q282 Q283 R284 Q288 | Q282-Q286 WeakPolarHBondContact O-CB 3.29Å; Q282-Q286 PolarHBondContact O-N 2.87Å; Q283-Q286 PolarHBondContact O-N 3.02Å; R284-Q286 VanDerWaalsContact C-N 3.29Å; R284-Q286 PolarHBondContact O-N 3.28Å; Q286-Q288 VanDerWaalsContact C-N 3.31Å |
| 287 | E | 61.5 | Low | 60.6 | Low | 115 Ų | 115 | 128.4 Ų | 128.4 | 54% | 0.537 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -63 | -35.8 | 170.1 | -74.2 | 177.2 | 168.1 | 0 | 0 | 112.2 | Q283 R284 | Q283-E287 WeakPolarHBondContact O-CG 3.47Å; Q283-E287 PolarHBondContact O-N 3.28Å; R284-E287 VanDerWaalsContact CD-OE2 3.27Å; R284-E287 WeakPolarHBondContact CD-OE2 3.42Å; R284-E287 IonicContact CZ-OE2 2.83Å; R284-E287 IonicContact NE-OE2 3.76Å; R284-E287 IonicContact NH1-OE2 3.48Å; R284-E287 PolarHBondContact NH1-OE2 2.84Å; R284-E287 PolarHBondContact O-N 3.29Å |
| 288 | Q | 58.6 | Low | 59.1 | Low | 150 Ų | 150 | 132.7 Ų | 132.7 | 70% | 0.701 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -6.6 | -170.4 | -149.7 | 172.8 | 17 | 0 | 0 | 114.7 | R284 L285 Q286 | R284-Q288 PolarHBondContact O-N 3.26Å; R284-Q288 VanDerWaalsContact O-N 3.17Å; L285-Q288 PolarHBondContact O-N 2.98Å; Q286-Q288 VanDerWaalsContact C-N 3.31Å |
| 289 | N | 50.6 | Low | 58 | Low | 103 Ų | 103 | 132.4 Ų | 132.4 | 55% | 0.551 | 66% | 0.66 | S | S | * | * | trans | -144.5 | 76.9 | 179.5 | -99.5 | -67.9 | 0 | 0 | 0 | 113.3 | L285 G291 V292 | L285-N289 PolarHBondContact O-N 2.95Å; N289-G291 PolarHBondContact O-N 2.86Å; N289-V292 HydrophobicContact CB-CG2 4.41Å | ||
| 290 | P | 52.1 | Low | 56.2 | Low | 131 Ų | 131 | 139.4 Ų | 139.4 | 85% | 0.851 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -1.1 | -177.3 | 28.3 | -36 | 0 | 0 | 0 | 115.5 | ||
| 291 | G | 57 | Low | 54.7 | Low | 63 Ų | 63 | 141.8 Ų | 141.8 | 65% | 0.649 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -17.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | N289 | N289-G291 PolarHBondContact O-N 2.86Š|
| 292 | V | 52.9 | Low | 53 | Low | 97 Ų | 97 | 141.1 Ų | 141.1 | 59% | 0.588 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -101.1 | -16.3 | -157.3 | -172.4 | 0 | 0 | 0 | 0 | 114.5 | N289 R294 | N289-V292 HydrophobicContact CB-CG2 4.41Å; V292-R294 PolarHBondContact O-N 2.83Å |
| 293 | F | 46.9 | Very low | 51.8 | Low | 175 Ų | 175 | 143.2 Ų | 143.2 | 77% | 0.768 | 72% | 0.719 | S | S | * | * | trans | -94.8 | 37.5 | -175.5 | -99.8 | -80.8 | 0 | 0 | 0 | 115.4 | F296 | F293-F296 AromaticContact CD1-CD2 3.98Å; F293-F296 HydrophobicContact CD1-CD2 3.98Å; F293-F296 HydrophobicContact CD1-CE2 4.17Å; F293-F296 AromaticContact CE1-CD2 3.74Å; F293-F296 HydrophobicContact CE1-CD2 3.74Å; F293-F296 AromaticContact CE1-CE2 3.65Å; F293-F296 HydrophobicContact CE1-CE2 3.65Å; F293-F296 HydrophobicContact CZ-CE2 4.17Å | ||
| 294 | R | 49.8 | Very low | 50.3 | Low | 211 Ų | 211 | 145.7 Ų | 145.7 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | trans | -100.8 | 147.3 | 157.6 | -62.1 | -175 | -176.3 | -166.3 | 1.3 | 107.7 | V292 | V292-R294 PolarHBondContact O-N 2.83Š| ||
| 295 | H | 49.6 | Very low | 49 | Very low | 181 Ų | 181 | 144.9 Ų | 144.9 | 84% | 0.838 | 74% | 0.738 | S | S | * | * | trans | 73 | 68.2 | -176.9 | -41.4 | -77.3 | 0 | 0 | 0 | 116.2 | ||||
| 296 | F | 44.4 | Very low | 47.9 | Very low | 162 Ų | 162 | 143 Ų | 143 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | trans | -118.4 | 132.3 | 149.7 | -89 | -83.3 | 0 | 0 | 0 | 109.6 | F293 | F293-F296 AromaticContact CD1-CD2 3.98Å; F293-F296 HydrophobicContact CD1-CD2 3.98Å; F293-F296 HydrophobicContact CD1-CE2 4.17Å; F293-F296 AromaticContact CE1-CD2 3.74Å; F293-F296 HydrophobicContact CE1-CD2 3.74Å; F293-F296 AromaticContact CE1-CE2 3.65Å; F293-F296 HydrophobicContact CE1-CE2 3.65Å; F293-F296 HydrophobicContact CZ-CE2 4.17Å | ||
| 297 | P | 48.8 | Very low | 46.9 | Very low | 122 Ų | 122 | 145.6 Ų | 145.6 | 79% | 0.792 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 148.9 | -175.9 | -19.2 | 32.6 | 0 | 0 | 0 | 113.2 | ||
| 298 | R | 46 | Very low | 45.8 | Very low | 230 Ų | 230 | 143.6 Ų | 143.6 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 140.6 | 165 | -68.3 | -177.4 | 177.3 | -177.1 | -1 | 109.6 | Y300 | R298-Y300 PolarHBondContact O-N 3.49Š|
| 299 | P | 45.9 | Very low | 44.7 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 129.1 | 167.9 | 28.3 | -33.1 | 0 | 0 | 0 | 109.7 | ||
| 300 | Y | 39 | Very low | 43.9 | Very low | 225 Ų | 225 | 144.5 Ų | 144.5 | 88% | 0.882 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 136 | 173.5 | -122.3 | -94.8 | 0 | 0 | 0 | 109.6 | R298 | R298-Y300 PolarHBondContact O-N 3.49Š|
| 301 | N | 42.1 | Very low | 43.3 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 119.5 | 177.3 | -86.8 | -16 | 0 | 0 | 0 | 111.1 | ||
| 302 | G | 38.2 | Very low | 42.6 | Very low | 67 Ų | 67 | 152 Ų | 152 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | 88.6 | 163 | 154.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 303 | I | 43.6 | Very low | 41.8 | Very low | 171 Ų | 171 | 158.8 Ų | 158.8 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | 64.1 | 103.6 | 170.9 | -47.6 | 178.2 | 0 | 0 | 0 | 113.6 | ||||
| 304 | H | 39.3 | Very low | 41.3 | Very low | 156 Ų | 156 | 159.2 Ų | 159.2 | 72% | 0.722 | 82% | 0.816 | S | S | * | * | cis | 115.2 | 145.5 | 49 | -145.1 | -97.5 | 0 | 0 | 0 | 108 | ||||
| 305 | D | 42 | Very low | 40.5 | Very low | 150 Ų | 150 | 156.4 Ų | 156.4 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | trans | 63.6 | 149.3 | 172.9 | -55.9 | -52.6 | 0 | 0 | 0 | 119.4 | ||||
| 306 | G | 38.6 | Very low | 39.9 | Very low | 69 Ų | 69 | 158.8 Ų | 158.8 | 71% | 0.711 | 82% | 0.82 | S | S | * | * | trans | 114.7 | 59.4 | 160.3 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 307 | M | 38.4 | Very low | 39.4 | Very low | 197 Ų | 197 | 157.7 Ų | 157.7 | 97% | 0.97 | 83% | 0.827 | S | S | * | * | trans | 46.5 | 125.6 | 144.8 | -51.7 | -179 | -163.2 | 0 | 0 | 121.2 | ||||
| 308 | G | 37.9 | Very low | 39 | Very low | 73 Ų | 73 | 156.3 Ų | 156.3 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | 100.7 | 94 | 139 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 309 | Q | 35.8 | Very low | 38.7 | Very low | 185 Ų | 185 | 150.8 Ų | 150.8 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | -173.9 | 99.7 | 124.4 | -103.3 | 169.5 | 2 | 0 | 0 | 110.6 | |||||
| 310 | A | 34.8 | Very low | 38 | Very low | 87 Ų | 87 | 152 Ų | 152 | 72% | 0.719 | 82% | 0.819 | S | S | * | * | trans | -76.6 | 175.6 | 143.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 311 | E | 37.7 | Very low | 38 | Very low | 195 Ų | 195 | 151.9 Ų | 151.9 | 91% | 0.911 | 82% | 0.819 | S | S | * | * | trans | 71.1 | 59.2 | 175.4 | -49.7 | -172.1 | 156.8 | 0 | 0 | 117 | ||||
| 312 | M | 43.2 | Very low | 37.7 | Very low | 156 Ų | 156 | 147.4 Ų | 147.4 | 77% | 0.768 | 81% | 0.811 | S | S | * | * | trans | -145.4 | 29.8 | 161.6 | -143.4 | -176 | -174 | 0 | 0 | 116.8 | ||||
| 313 | Y | 36.7 | Very low | 37.6 | Very low | 239 Ų | 239 | 151.8 Ų | 151.8 | 94% | 0.937 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -134.1 | 43.3 | 176.4 | -80.7 | -71.2 | 0 | 0 | 0 | 114.7 | ||
| 314 | Q | 35.7 | Very low | 37.4 | Very low | 184 Ų | 184 | 152.2 Ų | 152.2 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -133.3 | 153.8 | 159.2 | -79.3 | 176.6 | -23 | 0 | 0 | 109 | ||
| 315 | N | 33.7 | Very low | 37.3 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 60.1 | 75.9 | -175.1 | -66.2 | -17.3 | 0 | 0 | 0 | 116.9 | ||||
| 316 | Y | 36.6 | Very low | 37 | Very low | 231 Ų | 231 | 150 Ų | 150 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | -140.1 | 88.3 | 141.5 | -102.3 | -72.4 | 0 | 0 | 0 | 111.1 | ||||
| 317 | T | 34.3 | Very low | 36.7 | Very low | 139 Ų | 139 | 150.2 Ų | 150.2 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -78.8 | 114.4 | 166.3 | 46.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 318 | A | 39.5 | Very low | 36.8 | Very low | 93 Ų | 93 | 146.2 Ų | 146.2 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 146.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 319 | P | 39.2 | Very low | 37 | Very low | 114 Ų | 114 | 151 Ų | 151 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 158.6 | -165.1 | 32.3 | -36.9 | 0 | 0 | 0 | 114.9 | ||
| 320 | D | 31.2 | Very low | 37 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 130.6 | 176.5 | -174.6 | 14.1 | 0 | 0 | 0 | 112 | ||
| 321 | Y | 40 | Very low | 37 | Very low | 221 Ų | 221 | 153.4 Ų | 153.4 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -152.6 | 101.3 | 171.8 | -92.5 | -76.2 | 0 | 0 | 0 | 110.2 | ||||
| 322 | G | 34.5 | Very low | 37.1 | Very low | 66 Ų | 66 | 147.1 Ų | 147.1 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | -115.1 | 115.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 323 | M | 36.6 | Very low | 36.8 | Very low | 158 Ų | 158 | 148.8 Ų | 148.8 | 78% | 0.778 | 79% | 0.794 | S | S | * | * | trans | -161.3 | 147 | 160.6 | -75.5 | -163.6 | 178.7 | 0 | 0 | 108.3 | ||||
| 324 | Y | 40 | Very low | 37 | Very low | 181 Ų | 181 | 148.3 Ų | 148.3 | 71% | 0.71 | 79% | 0.79 | S | S | * | * | cis | -157.4 | 141.6 | -15.9 | -104 | -31.1 | 0 | 0 | 0 | 111.1 | ||||
| 325 | T | 36.7 | Very low | 37.2 | Very low | 113 Ų | 113 | 149.1 Ų | 149.1 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | trans | 55.3 | 134.5 | 142.9 | 65.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 326 | T | 36.7 | Very low | 37.6 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 90% | 0.896 | 79% | 0.785 | S | S | * | * | trans | 82.1 | 126.8 | 154.9 | 72.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 327 | G | 31.7 | Very low | 37.9 | Very low | 74 Ų | 74 | 144.9 Ų | 144.9 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | 104.9 | 61.1 | 131 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 328 | S | 40.7 | Very low | 38 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | 177 | 105.9 | 133.4 | 39.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 329 | H | 41.1 | Very low | 37.8 | Very low | 175 Ų | 175 | 144.4 Ų | 144.4 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | trans | -79.3 | 145.7 | 177.3 | -62.2 | -84 | 0 | 0 | 0 | 113.8 | ||||
| 330 | C | 36.1 | Very low | 37.7 | Very low | 80 Ų | 80 | 147.6 Ų | 147.6 | 54% | 0.541 | 78% | 0.78 | S | S | . | * | S | Bend | trans | -136.8 | 157.5 | 130.6 | -77.2 | 0 | 0 | 0 | 0 | 107.4 | ||
| 331 | W | 35.8 | Very low | 37.7 | Very low | 241 Ų | 241 | 144.2 Ų | 144.2 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | 66.5 | 56.8 | -173.8 | -54.7 | 104.7 | 0 | 0 | 0 | 115.9 | ||||
| 332 | G | 38.4 | Very low | 37.8 | Very low | 63 Ų | 63 | 142.7 Ų | 142.7 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | trans | -93.2 | 135.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 333 | Q | 38.7 | Very low | 37.8 | Very low | 192 Ų | 192 | 149.1 Ų | 149.1 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -66.4 | 135.7 | -178.9 | -66.8 | 177.1 | -44.1 | 0 | 0 | 112.1 | ||||
| 334 | R | 39 | Very low | 38 | Very low | 229 Ų | 229 | 150.2 Ų | 150.2 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -100.3 | 96.8 | 158.8 | -74.1 | -173.9 | 177.5 | -179.1 | -0.4 | 109.6 | ||||
| 335 | K | 41.3 | Very low | 38 | Very low | 201 Ų | 201 | 148.2 Ų | 148.2 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -98.2 | 126 | 148.3 | -85.5 | -171.7 | 173.4 | -177.4 | 0 | 107.7 | ||||
| 336 | I | 40.7 | Very low | 37.8 | Very low | 135 Ų | 135 | 152.8 Ų | 152.8 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -103.3 | 158.5 | 174.6 | -52.6 | 174 | 0 | 0 | 0 | 106.3 | ||||
| 337 | N | 43.1 | Very low | 37.8 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | 77.8 | 139.1 | -172.5 | -42.3 | -20.6 | 0 | 0 | 0 | 113.4 | ||||
| 338 | G | 37.8 | Very low | 37.9 | Very low | 68 Ų | 68 | 152.8 Ų | 152.8 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | cis | 152.6 | 114.6 | -9.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 339 | L | 33.9 | Very low | 38 | Very low | 154 Ų | 154 | 157.4 Ų | 157.4 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | 66.6 | 141.6 | 162 | -106.8 | 60.5 | 0 | 0 | 0 | 119.9 | ||||
| 340 | F | 38 | Very low | 37.7 | Very low | 181 Ų | 181 | 160.3 Ų | 160.3 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 51.2 | 85.2 | 163.1 | -64.4 | -64.2 | 0 | 0 | 0 | 120 | ||||
| 341 | G | 31.6 | Very low | 37.7 | Very low | 78 Ų | 78 | 159.7 Ų | 159.7 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -76.3 | 134.2 | 149.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 342 | K | 41.9 | Very low | 38 | Very low | 189 Ų | 189 | 157 Ų | 157 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -141.2 | 84.1 | 160.1 | -83.2 | -173.3 | 178.3 | 171.9 | 0 | 109.8 | ||||
| 343 | Q | 33.9 | Very low | 38.1 | Very low | 202 Ų | 202 | 162.7 Ų | 162.7 | 94% | 0.944 | 82% | 0.822 | S | S | * | * | trans | -74.1 | 127.6 | 157.9 | -75.9 | 179.5 | -25.9 | 0 | 0 | 108.2 | ||||
| 344 | K | 41.8 | Very low | 38.5 | Very low | 180 Ų | 180 | 158.5 Ų | 158.5 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -136.5 | 117.6 | 169.3 | -93.6 | -160.1 | 167.7 | -164.2 | 0 | 111.4 | ||||
| 345 | L | 38.7 | Very low | 39.4 | Very low | 140 Ų | 140 | 153.5 Ų | 153.5 | 73% | 0.733 | 81% | 0.809 | S | S | * | * | trans | 55.2 | 99.3 | 136.4 | -67.9 | 153.2 | 0 | 0 | 0 | 118.5 | ||||
| 346 | F | 33.2 | Very low | 39.7 | Very low | 209 Ų | 209 | 152 Ų | 152 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | 16.8 | 110.6 | 132.1 | -63.2 | -84.1 | 0 | 0 | 0 | 118.4 | ||||
| 347 | G | 35.7 | Very low | 40.4 | Very low | 82 Ų | 82 | 150.9 Ų | 150.9 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -118.4 | 108.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 348 | N | 35.5 | Very low | 40.8 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -97.1 | 109.9 | -172 | -175.2 | 0.1 | 0 | 0 | 0 | 111.7 | ||||
| 349 | K | 41.9 | Very low | 41.2 | Very low | 210 Ų | 210 | 149.9 Ų | 149.9 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -135.8 | 133.9 | 161 | -75 | -163.7 | 175.1 | -174.6 | 0 | 110.5 | ||||
| 350 | R | 35.2 | Very low | 41.4 | Very low | 236 Ų | 236 | 152.7 Ų | 152.7 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -91.3 | 151.3 | 178.9 | -54.3 | 175.9 | -173.5 | 171.9 | 0.9 | 110.1 | ||||
| 351 | G | 36.1 | Very low | 41.7 | Very low | 66 Ų | 66 | 148.9 Ų | 148.9 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | trans | 118.7 | 134.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 352 | H | 41.4 | Very low | 42.1 | Very low | 186 Ų | 186 | 152.9 Ų | 152.9 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | 57 | 83.3 | 172.5 | -62.4 | 91.1 | 0 | 0 | 0 | 116.2 | P354 | H352-P354 WeakPolarHBondContact O-CD 3.49Š| ||
| 353 | Q | 40.3 | Very low | 41.8 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 118.3 | 158.7 | 179.1 | 176.4 | 3 | 0 | 0 | 109.2 | ||
| 354 | P | 48.3 | Very low | 42.1 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 145.4 | 171.8 | -17.2 | 31.9 | 0 | 0 | 0 | 110.1 | H352 M356 | H352-P354 WeakPolarHBondContact O-CD 3.49Å; P354-M356 PolarHBondContact O-N 2.04Å |
| 355 | P | 56.6 | Low | 42.3 | Very low | 124 Ų | 124 | 149.9 Ų | 149.9 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 134.6 | 172.8 | 27.4 | -33.7 | 0 | 0 | 0 | 109.5 | ||
| 356 | M | 48.8 | Very low | 42.6 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63 | 137.7 | 175.3 | -65.5 | -162.1 | -58.5 | 0 | 0 | 109.8 | P354 | P354-M356 PolarHBondContact O-N 2.04Š|
| 357 | P | 55.2 | Low | 43.4 | Very low | 112 Ų | 112 | 150.5 Ų | 150.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 139.6 | 168.4 | 28 | -33.5 | 0 | 0 | 0 | 109 | ||
| 358 | P | 51 | Low | 44 | Very low | 94 Ų | 94 | 156.5 Ų | 156.5 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 148 | 174.2 | 27.4 | -34.5 | 0 | 0 | 0 | 109.7 | Y360 | P358-Y360 PolarHBondContact O-N 3.29Š|
| 359 | P | 46.1 | Very low | 45.1 | Very low | 113 Ų | 113 | 155.7 Ų | 155.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -64.2 | 110.2 | 179 | 26.7 | -33.4 | 0 | 0 | 0 | 109.3 | V361 | P359-V361 HydrophobicContact CB-CG2 4.39Å; P359-V361 WeakPolarHBondContact O-CG2 3.39Å; P359-V361 PolarHBondContact O-N 3.46Å | ||
| 360 | Y | 39 | Very low | 46 | Very low | 214 Ų | 214 | 147.7 Ų | 147.7 | 84% | 0.839 | 73% | 0.73 | S | S | * | * | trans | -68.8 | 82.8 | 167.4 | -92.8 | -87.7 | 0 | 0 | 0 | 108.9 | P358 N362 | P358-Y360 PolarHBondContact O-N 3.29Å; Y360-N362 PolarHBondContact O-N 3.39Å | ||
| 361 | V | 43.9 | Very low | 47.8 | Very low | 101 Ų | 101 | 141.3 Ų | 141.3 | 61% | 0.612 | 72% | 0.719 | S | S | * | * | trans | -64.3 | 101 | 175.7 | -172.2 | 0 | 0 | 0 | 0 | 107.3 | P359 N363 | P359-V361 HydrophobicContact CB-CG2 4.39Å; P359-V361 WeakPolarHBondContact O-CG2 3.39Å; P359-V361 PolarHBondContact O-N 3.46Å; V361-N363 HydrophobicContact CG1-CB 3.94Å; V361-N363 WeakPolarHBondContact CG1-ND2 3.16Å; V361-N363 PolarHBondContact O-N 2.78Å | ||
| 362 | N | 38.9 | Very low | 49.2 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | trans | -77.1 | 44.8 | -176.5 | -134.6 | -10.5 | 0 | 0 | 0 | 111.9 | Y360 | Y360-N362 PolarHBondContact O-N 3.39Š| ||
| 363 | N | 37.2 | Very low | 50.2 | Low | 101 Ų | 101 | 140.5 Ų | 140.5 | 54% | 0.54 | 70% | 0.697 | S | S | . | * | trans | -92.7 | 100.5 | 172.1 | -88.1 | -38 | 0 | 0 | 0 | 108.3 | V361 K365 | V361-N363 HydrophobicContact CG1-CB 3.94Å; V361-N363 WeakPolarHBondContact CG1-ND2 3.16Å; V361-N363 PolarHBondContact O-N 2.78Å; N363-K365 HydrophobicContact CB-CD 4.42Å; N363-K365 HydrophobicContact CB-CG 4.14Å; N363-K365 PolarHBondContact O-N 3.39Å | ||
| 364 | R | 38.7 | Very low | 51.5 | Low | 247 Ų | 247 | 137.1 Ų | 137.1 | 93% | 0.932 | 68% | 0.679 | S | S | * | * | trans | -70.9 | 54.1 | 159 | -73.4 | -174.5 | 174 | -177 | -1.7 | 110.7 | R366 | R364-R366 PolarHBondContact O-N 2.94Å; R364-R366 VanDerWaalsContact O-N 3.15Å | ||
| 365 | K | 46.2 | Very low | 52.7 | Low | 161 Ų | 161 | 135.9 Ų | 135.9 | 70% | 0.7 | 66% | 0.664 | S | S | * | * | trans | -62.1 | 113.4 | 163.3 | -80.5 | 177.1 | 178.2 | -172.5 | 0 | 106.2 | N363 L367 | N363-K365 HydrophobicContact CB-CD 4.42Å; N363-K365 HydrophobicContact CB-CG 4.14Å; N363-K365 PolarHBondContact O-N 3.39Å; K365-L367 PolarHBondContact O-N 2.92Å | ||
| 366 | R | 44.9 | Very low | 53.6 | Low | 233 Ų | 233 | 135 Ų | 135 | 88% | 0.879 | 66% | 0.659 | S | S | * | * | trans | -54.5 | 122.5 | 166 | -68.6 | 175.9 | 170.9 | 179.7 | -5.1 | 106.6 | R364 Y368 | R364-R366 PolarHBondContact O-N 2.94Å; R364-R366 VanDerWaalsContact O-N 3.15Å; R366-Y368 PolarHBondContact O-N 3.13Å | ||
| 367 | L | 50.4 | Low | 54.7 | Low | 129 Ų | 129 | 134.9 Ų | 134.9 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | trans | -63.2 | 106.7 | 170.2 | -101.9 | 74.7 | 0 | 0 | 0 | 107.1 | K365 F389 | K365-L367 PolarHBondContact O-N 2.92Å; L367-F389 HydrophobicContact CD2-CE2 3.92Å; L367-F389 HydrophobicContact CD2-CZ 3.8Å | ||
| 368 | Y | 48.7 | Very low | 55.2 | Low | 207 Ų | 207 | 133.2 Ų | 133.2 | 81% | 0.812 | 64% | 0.638 | S | S | * | * | trans | -90.7 | 105.4 | 176.2 | -146 | -85.9 | 0 | 0 | 0 | 107.1 | R366 S370 | R366-Y368 PolarHBondContact O-N 3.13Å; Y368-S370 PolarHBondContact O-N 2.93Å | ||
| 369 | F | 58.9 | Low | 56 | Low | 121 Ų | 121 | 134.1 Ų | 134.1 | 53% | 0.531 | 64% | 0.635 | S | S | . | * | trans | -71.9 | 111.2 | 170.4 | -82.7 | -87.5 | 0 | 0 | 0 | 108.3 | F374 F389 | F369-F374 HydrophobicContact CB-CE2 4.2Å; F369-F374 AromaticContact CD1-CE2 3.76Å; F369-F374 HydrophobicContact CD1-CE2 3.76Å; F369-F374 AromaticContact CD1-CZ 3.7Å; F369-F374 HydrophobicContact CD1-CZ 3.7Å; F369-F374 HydrophobicContact CE1-CZ 4.13Å; F369-F374 HydrophobicContact CG-CE2 4.34Å; F369-F374 HydrophobicContact CG-CZ 4.42Å; F369-F389 HydrophobicContact CE1-CE1 4.38Å; F369-F389 HydrophobicContact CZ-CE1 4.26Å; F369-F389 HydrophobicContact CZ-CZ 4.48Å | ||
| 370 | S | 60.6 | Low | 57.3 | Low | 41 Ų | 41 | 132.2 Ų | 132.2 | 29% | 0.287 | 63% | 0.629 | S | S | . | * | trans | -64.8 | 124.8 | 165.2 | -47.2 | 0 | 0 | 0 | 0 | 108.2 | Y368 E372 F373 | Y368-S370 PolarHBondContact O-N 2.93Å; S370-E372 PolarHBondContact O-N 3.02Å; S370-E372 VanDerWaalsContact O-N 3.17Å; S370-F373 WeakPolarHBondContact O-CD2 3.37Å; S370-F373 PolarHBondContact O-N 2.78Å; S370-F373 VanDerWaalsContact O-N 3.13Å | ||
| 371 | P | 71.6 | Confident | 59.1 | Low | 102 Ų | 102 | 128.5 Ų | 128.5 | 66% | 0.662 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -62.7 | -22.8 | 179.9 | 24.3 | -33 | 0 | 0 | 0 | 112.5 | F373 F374 | P371-F373 PolarHBondContact O-N 3.15Å; P371-F373 VanDerWaalsContact O-N 3.11Å; P371-F374 WeakPolarHBondContact O-CB 3.45Å; P371-F374 PolarHBondContact O-N 3.37Å |
| 372 | E | 66 | Low | 60.4 | Low | 116 Ų | 116 | 125.8 Ų | 125.8 | 54% | 0.542 | 61% | 0.608 | S | S | . | * | G | 310 helix | trans | -54.4 | -23.9 | 172.4 | -63.2 | 168.2 | -139.4 | 0 | 0 | 114.2 | S370 F374 E375 K378 | S370-E372 PolarHBondContact O-N 3.02Å; S370-E372 VanDerWaalsContact O-N 3.17Å; E372-F374 PolarHBondContact O-N 3.18Å; E372-E375 WeakPolarHBondContact CA-OE1 3.24Å; E372-K378 WeakPolarHBondContact O-CD 3.32Å |
| 373 | F | 62.9 | Low | 62.2 | Low | 120 Ų | 120 | 121 Ų | 121 | 53% | 0.526 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -77.2 | -5.1 | 175.1 | -63.4 | -58.4 | 0 | 0 | 0 | 113.7 | S370 P371 | S370-F373 WeakPolarHBondContact O-CD2 3.37Å; S370-F373 PolarHBondContact O-N 2.78Å; S370-F373 VanDerWaalsContact O-N 3.13Å; P371-F373 PolarHBondContact O-N 3.15Å; P371-F373 VanDerWaalsContact O-N 3.11Å |
| 374 | F | 67.7 | Low | 64.2 | Low | 111 Ų | 111 | 121 Ų | 121 | 49% | 0.487 | 59% | 0.592 | S | S | . | * | G | 310 helix | trans | -106.2 | 9.7 | 178.6 | -61.1 | -96.5 | 0 | 0 | 0 | 112.9 | F369 P371 E372 M379 | F369-F374 HydrophobicContact CB-CE2 4.2Å; F369-F374 AromaticContact CD1-CE2 3.76Å; F369-F374 HydrophobicContact CD1-CE2 3.76Å; F369-F374 AromaticContact CD1-CZ 3.7Å; F369-F374 HydrophobicContact CD1-CZ 3.7Å; F369-F374 HydrophobicContact CE1-CZ 4.13Å; F369-F374 HydrophobicContact CG-CE2 4.34Å; F369-F374 HydrophobicContact CG-CZ 4.42Å; P371-F374 WeakPolarHBondContact O-CB 3.45Å; P371-F374 PolarHBondContact O-N 3.37Å; E372-F374 PolarHBondContact O-N 3.18Å; F374-M379 HydrophobicContact CB-CE 3.76Å; F374-M379 HydrophobicContact CD1-CE 3.63Å; F374-M379 HydrophobicContact CG-CE 4.13Å |
| 375 | E | 73.7 | Confident | 66 | Low | 77 Ų | 77 | 116.8 Ų | 116.8 | 36% | 0.36 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -66.3 | 137.4 | 170.8 | -68.7 | 166.1 | -153.7 | 0 | 0 | 110.6 | E372 E377 K378 M379 | E372-E375 WeakPolarHBondContact CA-OE1 3.24Å; E375-E377 VanDerWaalsContact C-N 3.27Å; E375-E377 PolarHBondContact O-N 3.28Å; E375-E377 VanDerWaalsContact O-N 3.15Å; E375-K378 HydrophobicContact CB-CB 4.47Å; E375-K378 HydrophobicContact CB-CD 4.22Å; E375-K378 CarbonylContact O-C 3.5Å; E375-K378 PolarHBondContact O-N 2.95Å; E375-K378 IonicContact OE1-NZ 3.03Å; E375-K378 PolarHBondContact OE1-NZ 2.96Å; E375-K378 WeakPolarHBondContact OE2-CD 3.12Å; E375-K378 WeakPolarHBondContact OE2-CE 3.4Å; E375-K378 IonicContact OE2-NZ 2.68Å; E375-K378 PolarHBondContact OE2-NZ 2.91Å; E375-M379 PolarHBondContact O-N 3.3Å |
| 376 | P | 74.4 | Confident | 67.4 | Low | 107 Ų | 107 | 110.7 Ų | 110.7 | 70% | 0.695 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -55.2 | -36.2 | -174.4 | -29.4 | 36.1 | 0 | 0 | 0 | 115 | M379 A380 | P376-M379 PolarHBondContact O-N 2.81Å; P376-A380 WeakPolarHBondContact O-CB 3.43Å; P376-A380 PolarHBondContact O-N 3.44Å |
| 377 | E | 71.7 | Confident | 69 | Low | 164 Ų | 164 | 104.5 Ų | 104.5 | 77% | 0.766 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.6 | -40 | 178.3 | -59.1 | -174.7 | 162.6 | 0 | 0 | 112.1 | E375 M379 A380 N381 | E375-E377 VanDerWaalsContact C-N 3.27Å; E375-E377 PolarHBondContact O-N 3.28Å; E375-E377 VanDerWaalsContact O-N 3.15Å; E377-M379 VanDerWaalsContact C-N 3.34Å; E377-A380 PolarHBondContact O-N 2.98Å; E377-N381 PolarHBondContact O-N 2.9Å |
| 378 | K | 66.6 | Low | 70.5 | Confident | 78 Ų | 78 | 101.3 Ų | 101.3 | 34% | 0.339 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -77.3 | -19.6 | 176.3 | -66.7 | 166.8 | -176.3 | 158.9 | 0 | 112.4 | E372 E375 N381 P382 | E372-K378 WeakPolarHBondContact O-CD 3.32Å; E375-K378 HydrophobicContact CB-CB 4.47Å; E375-K378 HydrophobicContact CB-CD 4.22Å; E375-K378 CarbonylContact O-C 3.5Å; E375-K378 PolarHBondContact O-N 2.95Å; E375-K378 IonicContact OE1-NZ 3.03Å; E375-K378 PolarHBondContact OE1-NZ 2.96Å; E375-K378 WeakPolarHBondContact OE2-CD 3.12Å; E375-K378 WeakPolarHBondContact OE2-CE 3.4Å; E375-K378 IonicContact OE2-NZ 2.68Å; E375-K378 PolarHBondContact OE2-NZ 2.91Å; K378-N381 CarbonylContact O-C 3.54Å; K378-P382 WeakPolarHBondContact O-CA 3.34Å |
| 379 | M | 68.1 | Low | 71.9 | Confident | 112 Ų | 112 | 94.5 Ų | 94.5 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -75.8 | -34.7 | 165.1 | -70.5 | -159.7 | 178.7 | 0 | 0 | 112.7 | F374 E375 P376 E377 | F374-M379 HydrophobicContact CB-CE 3.76Å; F374-M379 HydrophobicContact CD1-CE 3.63Å; F374-M379 HydrophobicContact CG-CE 4.13Å; E375-M379 PolarHBondContact O-N 3.3Å; P376-M379 PolarHBondContact O-N 2.81Å; E377-M379 VanDerWaalsContact C-N 3.34Å |
| 380 | A | 74.2 | Confident | 73 | Confident | 74 Ų | 74 | 92.3 Ų | 92.3 | 61% | 0.612 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.5 | -37.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | P376 E377 | P376-A380 WeakPolarHBondContact O-CB 3.43Å; P376-A380 PolarHBondContact O-N 3.44Å; E377-A380 PolarHBondContact O-N 2.98Å |
| 381 | N | 74.9 | Confident | 74.2 | Confident | 136 Ų | 136 | 95 Ų | 95 | 73% | 0.727 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -127.2 | 86.2 | 171 | -76.1 | -58.5 | 0 | 0 | 0 | 110.1 | E377 K378 | E377-N381 PolarHBondContact O-N 2.9Å; K378-N381 CarbonylContact O-C 3.54Å |
| 382 | P | 72.4 | Confident | 74.9 | Confident | 44 Ų | 44 | 95.8 Ų | 95.8 | 29% | 0.286 | 51% | 0.512 | S | S | . | . | trans | -64.4 | 135.4 | 179.1 | 26.3 | -34.2 | 0 | 0 | 0 | 111.3 | K378 A386 E387 | K378-P382 WeakPolarHBondContact O-CA 3.34Å; P382-A386 HydrophobicContact CB-CB 4.35Å; P382-E387 HydrophobicContact CB-CG 4.08Å; P382-E387 HydrophobicContact CG-CG 3.79Å | ||
| 383 | P | 77.3 | Confident | 75.8 | Confident | 59 Ų | 59 | 92.4 Ų | 92.4 | 38% | 0.383 | 50% | 0.499 | S | S | . | . | trans | -58.4 | 147.3 | 172.5 | -25.4 | 34.7 | 0 | 0 | 0 | 111.5 | H385 A386 E387 | P383-H385 PolarHBondContact O-N 2.87Å; P383-A386 WeakPolarHBondContact O-CA 3.47Å; P383-A386 VanDerWaalsContact O-CB 3.32Å; P383-A386 WeakPolarHBondContact O-CB 3.42Å; P383-A386 PolarHBondContact O-N 2.87Å; P383-E387 PolarHBondContact O-N 2.89Å | ||
| 384 | P | 78 | Confident | 77 | Confident | 103 Ų | 103 | 94.2 Ų | 94.2 | 67% | 0.669 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -56.1 | -28.4 | -174.8 | -29.5 | 35.8 | 0 | 0 | 0 | 115.2 | E387 A388 | P384-E387 PolarHBondContact O-N 3.26Å; P384-A388 PolarHBondContact O-N 3.36Å |
| 385 | H | 76.7 | Confident | 78 | Confident | 158 Ų | 158 | 92.3 Ų | 92.3 | 73% | 0.731 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.1 | -32.7 | 173.7 | -170.6 | -53.8 | 0 | 0 | 0 | 112.7 | P383 F389 | P383-H385 PolarHBondContact O-N 2.87Å; H385-F389 WeakPolarHBondContact O-CB 3.32Å; H385-F389 PolarHBondContact O-N 3.12Å; H385-F389 VanDerWaalsContact O-N 3.16Å |
| 386 | A | 75.5 | Confident | 78.4 | Confident | 32 Ų | 32 | 94.1 Ų | 94.1 | 26% | 0.264 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72 | -38.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | P382 P383 F389 L390 | P382-A386 HydrophobicContact CB-CB 4.35Å; P383-A386 WeakPolarHBondContact O-CA 3.47Å; P383-A386 VanDerWaalsContact O-CB 3.32Å; P383-A386 WeakPolarHBondContact O-CB 3.42Å; P383-A386 PolarHBondContact O-N 2.87Å; A386-F389 PolarHBondContact O-N 2.81Å; A386-L390 WeakPolarHBondContact O-CB 3.33Å; A386-L390 VanDerWaalsContact O-CG 3.3Å; A386-L390 WeakPolarHBondContact O-CG 3.02Å; A386-L390 PolarHBondContact O-N 3.34Å |
| 387 | E | 79.1 | Confident | 78.9 | Confident | 104 Ų | 104 | 93 Ų | 93 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.2 | -49 | 173.7 | -60.5 | -165.7 | 123.3 | 0 | 0 | 112 | P382 P383 P384 F389 L390 V391 | P382-E387 HydrophobicContact CB-CG 4.08Å; P382-E387 HydrophobicContact CG-CG 3.79Å; P383-E387 PolarHBondContact O-N 2.89Å; P384-E387 PolarHBondContact O-N 3.26Å; E387-F389 VanDerWaalsContact C-N 3.3Å; E387-F389 PolarHBondContact O-N 3.43Å; E387-L390 PolarHBondContact O-N 3.05Å; E387-L390 VanDerWaalsContact O-N 3.14Å; E387-V391 WeakPolarHBondContact O-CG2 3.38Å; E387-V391 PolarHBondContact O-N 3.36Å |
| 388 | A | 81.5 | Confident | 79.6 | Confident | 61 Ų | 61 | 88.9 Ų | 88.9 | 50% | 0.504 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P384 V391 E392 | P384-A388 PolarHBondContact O-N 3.36Å; A388-V391 PolarHBondContact O-N 2.82Å; A388-E392 PolarHBondContact O-N 2.84Å |
| 389 | F | 79 | Confident | 80.2 | Confident | 65 Ų | 65 | 89.7 Ų | 89.7 | 29% | 0.285 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 175.2 | 177.4 | -108.8 | 0 | 0 | 0 | 112.7 | L367 F369 H385 A386 E387 V391 E392 V393 | L367-F389 HydrophobicContact CD2-CE2 3.92Å; L367-F389 HydrophobicContact CD2-CZ 3.8Å; F369-F389 HydrophobicContact CE1-CE1 4.38Å; F369-F389 HydrophobicContact CZ-CE1 4.26Å; F369-F389 HydrophobicContact CZ-CZ 4.48Å; H385-F389 WeakPolarHBondContact O-CB 3.32Å; H385-F389 PolarHBondContact O-N 3.12Å; H385-F389 VanDerWaalsContact O-N 3.16Å; A386-F389 PolarHBondContact O-N 2.81Å; E387-F389 VanDerWaalsContact C-N 3.3Å; E387-F389 PolarHBondContact O-N 3.43Å; F389-V391 VanDerWaalsContact C-N 3.3Å; F389-V391 PolarHBondContact O-N 3.25Å; F389-E392 PolarHBondContact O-N 2.98Å; F389-V393 HydrophobicContact CD1-CG2 4.26Å; F389-V393 HydrophobicContact CD2-CG2 4.19Å; F389-V393 HydrophobicContact CE1-CG2 3.84Å; F389-V393 HydrophobicContact CE2-CG2 3.76Å; F389-V393 HydrophobicContact CG-CG2 4.43Å; F389-V393 HydrophobicContact CZ-CG2 3.58Å; F389-V393 WeakPolarHBondContact O-CB 3.5Å; F389-V393 WeakPolarHBondContact O-CG2 3.38Å; F389-V393 PolarHBondContact O-N 2.93Å |
| 390 | L | 81.6 | Confident | 80.8 | Confident | 75 Ų | 75 | 86.5 Ų | 86.5 | 39% | 0.393 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -33.1 | 175.9 | -72.8 | 171.4 | 0 | 0 | 0 | 112.4 | A386 E387 R394 | A386-L390 WeakPolarHBondContact O-CB 3.33Å; A386-L390 VanDerWaalsContact O-CG 3.3Å; A386-L390 WeakPolarHBondContact O-CG 3.02Å; A386-L390 PolarHBondContact O-N 3.34Å; E387-L390 PolarHBondContact O-N 3.05Å; E387-L390 VanDerWaalsContact O-N 3.14Å; L390-R394 WeakPolarHBondContact O-CB 3.26Å; L390-R394 WeakPolarHBondContact O-CD 3.44Å; L390-R394 WeakPolarHBondContact O-CG 3.5Å; L390-R394 PolarHBondContact O-N 3.46Å |
| 391 | V | 85.7 | Confident | 81.3 | Confident | 96 Ų | 96 | 87.7 Ų | 87.7 | 58% | 0.582 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.3 | -44.6 | 171.9 | 172.3 | 0 | 0 | 0 | 0 | 111.2 | E387 A388 F389 R394 S395 | E387-V391 WeakPolarHBondContact O-CG2 3.38Å; E387-V391 PolarHBondContact O-N 3.36Å; A388-V391 PolarHBondContact O-N 2.82Å; F389-V391 VanDerWaalsContact C-N 3.3Å; F389-V391 PolarHBondContact O-N 3.25Å; V391-R394 PolarHBondContact O-N 2.89Å; V391-S395 WeakPolarHBondContact O-CB 2.93Å; V391-S395 PolarHBondContact O-N 2.85Å |
| 392 | E | 85.3 | Confident | 81.5 | Confident | 119 Ų | 119 | 86 Ų | 86 | 56% | 0.556 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.3 | -46.8 | 175.7 | -173.1 | 178.8 | -170.3 | 0 | 0 | 111.8 | A388 F389 R394 S395 M396 | A388-E392 PolarHBondContact O-N 2.84Å; F389-E392 PolarHBondContact O-N 2.98Å; E392-R394 PolarHBondContact O-N 2.87Å; E392-S395 WeakPolarHBondContact O-CB 3.4Å; E392-S395 PolarHBondContact O-N 3.25Å; E392-M396 HydrophobicContact CG-CE 4.39Å; E392-M396 WeakPolarHBondContact O-CB 3.39Å; E392-M396 PolarHBondContact O-N 3.39Å |
| 393 | V | 85.3 | Confident | 81.7 | Confident | 46 Ų | 46 | 92.1 Ų | 92.1 | 28% | 0.279 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 178.1 | 170.1 | 0 | 0 | 0 | 0 | 111.6 | F389 M396 I397 | F389-V393 HydrophobicContact CD1-CG2 4.26Å; F389-V393 HydrophobicContact CD2-CG2 4.19Å; F389-V393 HydrophobicContact CE1-CG2 3.84Å; F389-V393 HydrophobicContact CE2-CG2 3.76Å; F389-V393 HydrophobicContact CG-CG2 4.43Å; F389-V393 HydrophobicContact CZ-CG2 3.58Å; F389-V393 WeakPolarHBondContact O-CB 3.5Å; F389-V393 WeakPolarHBondContact O-CG2 3.38Å; F389-V393 PolarHBondContact O-N 2.93Å; V393-M396 PolarHBondContact O-N 3.01Å; V393-I397 HydrophobicContact CG1-CD1 3.77Å; V393-I397 HydrophobicContact CG1-CG1 4.45Å; V393-I397 WeakPolarHBondContact O-CB 3.38Å; V393-I397 VanDerWaalsContact O-CG1 3.28Å; V393-I397 WeakPolarHBondContact O-CG1 3.37Å; V393-I397 PolarHBondContact O-N 2.85Å |
| 394 | R | 89.2 | Confident | 81.5 | Confident | 158 Ų | 158 | 95.2 Ų | 95.2 | 60% | 0.596 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.5 | -46.8 | 174.9 | -75.8 | 167.6 | 179.9 | 151 | -0.5 | 111.6 | L390 V391 E392 M396 I397 D398 | L390-R394 WeakPolarHBondContact O-CB 3.26Å; L390-R394 WeakPolarHBondContact O-CD 3.44Å; L390-R394 WeakPolarHBondContact O-CG 3.5Å; L390-R394 PolarHBondContact O-N 3.46Å; V391-R394 PolarHBondContact O-N 2.89Å; E392-R394 PolarHBondContact O-N 2.87Å; R394-M396 VanDerWaalsContact C-N 3.31Å; R394-M396 PolarHBondContact O-N 3.01Å; R394-I397 PolarHBondContact O-N 2.9Å; R394-D398 PolarHBondContact O-N 2.85Å |
| 395 | S | 89 | Confident | 81.4 | Confident | 70 Ų | 70 | 99.6 Ų | 99.6 | 49% | 0.49 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.9 | -43.7 | 175 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | V391 E392 D398 M399 | V391-S395 WeakPolarHBondContact O-CB 2.93Å; V391-S395 PolarHBondContact O-N 2.85Å; E392-S395 WeakPolarHBondContact O-CB 3.4Å; E392-S395 PolarHBondContact O-N 3.25Å; S395-D398 PolarHBondContact O-N 3.48Å; S395-M399 WeakPolarHBondContact O-CB 3.35Å; S395-M399 PolarHBondContact O-N 3.3Å |
| 396 | M | 81.5 | Confident | 81.1 | Confident | 115 Ų | 115 | 95.3 Ų | 95.3 | 57% | 0.567 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.6 | -39.2 | 178.1 | -156.5 | -177.4 | -53.9 | 0 | 0 | 112.5 | E392 V393 R394 A400 | E392-M396 HydrophobicContact CG-CE 4.39Å; E392-M396 WeakPolarHBondContact O-CB 3.39Å; E392-M396 PolarHBondContact O-N 3.39Å; V393-M396 PolarHBondContact O-N 3.01Å; R394-M396 VanDerWaalsContact C-N 3.31Å; R394-M396 PolarHBondContact O-N 3.01Å; M396-A400 WeakPolarHBondContact O-CB 3.42Å; M396-A400 PolarHBondContact O-N 2.83Å |
| 397 | I | 83.8 | Confident | 80.2 | Confident | 85 Ų | 85 | 103.2 Ų | 103.2 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 174.8 | -73 | 167.1 | 0 | 0 | 0 | 111.2 | V393 R394 A400 K401 | V393-I397 HydrophobicContact CG1-CD1 3.77Å; V393-I397 HydrophobicContact CG1-CG1 4.45Å; V393-I397 WeakPolarHBondContact O-CB 3.38Å; V393-I397 VanDerWaalsContact O-CG1 3.28Å; V393-I397 WeakPolarHBondContact O-CG1 3.37Å; V393-I397 PolarHBondContact O-N 2.85Å; R394-I397 PolarHBondContact O-N 2.9Å; I397-A400 CarbonylContact O-C 3.05Å; I397-A400 WeakPolarHBondContact O-CB 3.47Å; I397-A400 PolarHBondContact O-N 3.41Å; I397-K401 HydrophobicContact CG2-CD 4.48Å; I397-K401 WeakPolarHBondContact O-CG 3.32Å; I397-K401 PolarHBondContact O-N 2.88Å |
| 398 | D | 87 | Confident | 78.7 | Confident | 76 Ų | 76 | 109.6 Ų | 109.6 | 41% | 0.406 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.7 | -31.8 | -179.9 | -71.4 | -27.8 | 0 | 0 | 0 | 112.1 | R394 S395 A400 K401 N402 | R394-D398 PolarHBondContact O-N 2.85Å; S395-D398 PolarHBondContact O-N 3.48Å; D398-A400 VanDerWaalsContact C-N 3.31Å; D398-A400 PolarHBondContact O-N 3.22Å; D398-K401 PolarHBondContact O-N 2.88Å; D398-K401 WeakPolarHBondContact OD1-CD 3.26Å; D398-K401 IonicContact OD1-NZ 2.77Å; D398-K401 PolarHBondContact OD1-NZ 3.23Å; D398-N402 WeakPolarHBondContact O-CB 3.08Å; D398-N402 VanDerWaalsContact O-CG 3.27Å; D398-N402 PolarHBondContact O-N 3.01Å; D398-N402 PolarHBondContact O-ND2 3.41Å |
| 399 | M | 80.3 | Confident | 77 | Confident | 96 Ų | 96 | 116.4 Ų | 116.4 | 47% | 0.473 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.2 | -37.3 | 167.7 | -161.2 | -172.8 | -53.9 | 0 | 0 | 111.8 | S395 R403 | S395-M399 WeakPolarHBondContact O-CB 3.35Å; S395-M399 PolarHBondContact O-N 3.3Å; M399-R403 VanDerWaalsContact O-CG 3.3Å; M399-R403 WeakPolarHBondContact O-CG 3.45Å; M399-R403 PolarHBondContact O-N 3.42Å |
| 400 | A | 78.8 | Confident | 75.8 | Confident | 44 Ų | 44 | 118.4 Ų | 118.4 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.5 | -46.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | M396 I397 D398 N402 R403 I404 | M396-A400 WeakPolarHBondContact O-CB 3.42Å; M396-A400 PolarHBondContact O-N 2.83Å; I397-A400 CarbonylContact O-C 3.05Å; I397-A400 WeakPolarHBondContact O-CB 3.47Å; I397-A400 PolarHBondContact O-N 3.41Å; D398-A400 VanDerWaalsContact C-N 3.31Å; D398-A400 PolarHBondContact O-N 3.22Å; A400-N402 VanDerWaalsContact C-N 3.29Å; A400-N402 PolarHBondContact O-N 3.31Å; A400-R403 PolarHBondContact O-N 2.88Å; A400-R403 VanDerWaalsContact O-N 3.14Å; A400-I404 VanDerWaalsContact O-CG1 3.31Å; A400-I404 WeakPolarHBondContact O-CG1 3.4Å; A400-I404 PolarHBondContact O-N 2.83Å |
| 401 | K | 85 | Confident | 74.2 | Confident | 100 Ų | 100 | 120 Ų | 120 | 44% | 0.435 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -56.9 | -41.5 | 174.2 | -74.1 | 179.4 | -164.6 | 150.1 | 0 | 111.8 | I397 D398 I404 R405 | I397-K401 HydrophobicContact CG2-CD 4.48Å; I397-K401 WeakPolarHBondContact O-CG 3.32Å; I397-K401 PolarHBondContact O-N 2.88Å; D398-K401 PolarHBondContact O-N 2.88Å; D398-K401 WeakPolarHBondContact OD1-CD 3.26Å; D398-K401 IonicContact OD1-NZ 2.77Å; D398-K401 PolarHBondContact OD1-NZ 3.23Å; K401-I404 PolarHBondContact O-N 2.97Å; K401-R405 WeakPolarHBondContact O-CB 3.47Å; K401-R405 WeakPolarHBondContact O-CG 3.5Å; K401-R405 PolarHBondContact O-N 2.79Å |
| 402 | N | 80.8 | Confident | 72.7 | Confident | 101 Ų | 101 | 119 Ų | 119 | 54% | 0.54 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.3 | -34.6 | 178.3 | -72.3 | -19.5 | 0 | 0 | 0 | 112 | D398 A400 G406 | D398-N402 WeakPolarHBondContact O-CB 3.08Å; D398-N402 VanDerWaalsContact O-CG 3.27Å; D398-N402 PolarHBondContact O-N 3.01Å; D398-N402 PolarHBondContact O-ND2 3.41Å; A400-N402 VanDerWaalsContact C-N 3.29Å; A400-N402 PolarHBondContact O-N 3.31Å; N402-G406 PolarHBondContact O-N 2.85Å |
| 403 | R | 75.5 | Confident | 70.9 | Confident | 172 Ų | 172 | 118.5 Ų | 118.5 | 65% | 0.649 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.1 | -36.3 | 169.8 | -74.5 | 172.4 | -179.5 | -179.8 | 2.9 | 112.9 | M399 A400 R407 | M399-R403 VanDerWaalsContact O-CG 3.3Å; M399-R403 WeakPolarHBondContact O-CG 3.45Å; M399-R403 PolarHBondContact O-N 3.42Å; A400-R403 PolarHBondContact O-N 2.88Å; A400-R403 VanDerWaalsContact O-N 3.14Å; R403-R407 WeakPolarHBondContact O-CB 3.17Å; R403-R407 PolarHBondContact O-N 2.78Å; R403-R407 VanDerWaalsContact O-N 3.13Å |
| 404 | I | 72.7 | Confident | 69.7 | Low | 123 Ų | 123 | 121.5 Ų | 121.5 | 63% | 0.631 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.4 | -43.4 | 176.5 | -66.6 | 162.7 | 0 | 0 | 0 | 111 | A400 K401 R407 | A400-I404 VanDerWaalsContact O-CG1 3.31Å; A400-I404 WeakPolarHBondContact O-CG1 3.4Å; A400-I404 PolarHBondContact O-N 2.83Å; K401-I404 PolarHBondContact O-N 2.97Å; I404-R407 CarbonylContact O-C 3.57Å; I404-R407 PolarHBondContact O-N 2.94Å |
| 405 | R | 77.4 | Confident | 68.1 | Low | 196 Ų | 196 | 120.5 Ų | 120.5 | 74% | 0.74 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.8 | -40.6 | 174.6 | -75 | 173.9 | 168.5 | -178.2 | -5.8 | 112.2 | K401 R407 | K401-R405 WeakPolarHBondContact O-CB 3.47Å; K401-R405 WeakPolarHBondContact O-CG 3.5Å; K401-R405 PolarHBondContact O-N 2.79Å; R405-R407 VanDerWaalsContact C-N 3.29Å; R405-R407 PolarHBondContact O-N 2.88Å |
| 406 | G | 68.9 | Low | 66.1 | Low | 67 Ų | 67 | 122 Ų | 122 | 69% | 0.691 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -8.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N402 | N402-G406 PolarHBondContact O-N 2.85Š|
| 407 | R | 58.2 | Low | 65 | Low | 199 Ų | 199 | 121.6 Ų | 121.6 | 75% | 0.751 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -127.9 | 96.3 | 172.6 | -66.3 | -175.8 | 175.5 | -166.3 | -2.8 | 109.1 | R403 I404 R405 Y409 | R403-R407 WeakPolarHBondContact O-CB 3.17Å; R403-R407 PolarHBondContact O-N 2.78Å; R403-R407 VanDerWaalsContact O-N 3.13Å; I404-R407 CarbonylContact O-C 3.57Å; I404-R407 PolarHBondContact O-N 2.94Å; R405-R407 VanDerWaalsContact C-N 3.29Å; R405-R407 PolarHBondContact O-N 2.88Å; R407-Y409 PolarHBondContact O-N 2.03Å |
| 408 | R | 46.3 | Very low | 63.8 | Low | 238 Ų | 238 | 123.6 Ų | 123.6 | 90% | 0.898 | 63% | 0.625 | S | S | * | * | trans | -61.3 | 77.9 | 164.1 | -78.1 | -169.8 | 175.3 | -160.7 | 0.7 | 109.9 | T410 | R408-T410 PolarHBondContact O-N 3.08Å; R408-T410 VanDerWaalsContact O-N 3.13Å | ||
| 409 | Y | 45.3 | Very low | 62.5 | Low | 204 Ų | 204 | 126.8 Ų | 126.8 | 80% | 0.8 | 64% | 0.638 | S | S | * | * | trans | -85 | 70.9 | 167.9 | -158.9 | -88.6 | 0 | 0 | 0 | 107.7 | R407 P411 | R407-Y409 PolarHBondContact O-N 2.03Å; Y409-P411 HydrophobicContact CE1-CB 4.49Å; Y409-P411 VanDerWaalsContact O-CD 3.28Å; Y409-P411 WeakPolarHBondContact O-CD 3.03Å | ||
| 410 | T | 55.1 | Low | 60.9 | Low | 107 Ų | 107 | 130.8 Ų | 130.8 | 66% | 0.656 | 66% | 0.655 | S | S | * | * | trans | -68.1 | 113.6 | 160.7 | 42.2 | 0 | 0 | 0 | 0 | 106.8 | R408 S412 | R408-T410 PolarHBondContact O-N 3.08Å; R408-T410 VanDerWaalsContact O-N 3.13Å; T410-S412 VanDerWaalsContact C-N 3.34Å; T410-S412 PolarHBondContact O-N 2.74Å | ||
| 411 | P | 48.6 | Very low | 59.2 | Low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 67% | 0.673 | S | S | * | * | trans | -74.2 | 90.6 | 177.6 | 31.2 | -33 | 0 | 0 | 0 | 108.7 | Y409 | Y409-P411 HydrophobicContact CE1-CB 4.49Å; Y409-P411 VanDerWaalsContact O-CD 3.28Å; Y409-P411 WeakPolarHBondContact O-CD 3.03Å | ||
| 412 | S | 52.5 | Low | 56.9 | Low | 76 Ų | 76 | 137.7 Ų | 137.7 | 53% | 0.531 | 68% | 0.684 | S | S | . | * | trans | -68.7 | 144.8 | 167.7 | 53 | 0 | 0 | 0 | 0 | 109.8 | T410 V414 | T410-S412 VanDerWaalsContact C-N 3.34Å; T410-S412 PolarHBondContact O-N 2.74Å; S412-V414 PolarHBondContact O-N 3.14Å | ||
| 413 | L | 48.7 | Very low | 54.7 | Low | 107 Ų | 107 | 138.8 Ų | 138.8 | 56% | 0.56 | 69% | 0.694 | S | S | * | * | trans | -80.6 | 73.7 | 176.6 | -80.8 | 157.9 | 0 | 0 | 0 | 109.2 | V415 I416 E418 | L413-V415 PolarHBondContact O-N 3.3Å; L413-I416 HydrophobicContact CB-CB 4.32Å; L413-I416 HydrophobicContact CB-CD1 4.46Å; L413-I416 HydrophobicContact CB-CG1 4.38Å; L413-I416 HydrophobicContact CD1-CD1 4.29Å; L413-I416 PolarHBondContact O-N 3.36Å; L413-E418 PolarHBondContact N-OE1 3.15Å | ||
| 414 | V | 58.9 | Low | 52.9 | Low | 110 Ų | 110 | 136.4 Ų | 136.4 | 67% | 0.667 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.4 | -16.3 | -176.7 | -179.4 | 0 | 0 | 0 | 0 | 114.5 | S412 | S412-V414 PolarHBondContact O-N 3.14Š|
| 415 | V | 55.4 | Low | 51.1 | Low | 136 Ų | 136 | 135.3 Ų | 135.3 | 82% | 0.824 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -14.3 | 178.9 | -172.6 | 0 | 0 | 0 | 0 | 113.2 | L413 | L413-V415 PolarHBondContact O-N 3.3Š|
| 416 | I | 48.3 | Very low | 49 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 52% | 0.518 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -106.2 | 127 | 170.6 | -55.8 | -177.6 | 0 | 0 | 0 | 107.6 | L413 E418 | L413-I416 HydrophobicContact CB-CB 4.32Å; L413-I416 HydrophobicContact CB-CD1 4.46Å; L413-I416 HydrophobicContact CB-CG1 4.38Å; L413-I416 HydrophobicContact CD1-CD1 4.29Å; L413-I416 PolarHBondContact O-N 3.36Å; I416-E418 VanDerWaalsContact C-N 3.31Å; I416-E418 PolarHBondContact O-N 3.4Å |
| 417 | P | 58.3 | Low | 47.6 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 70% | 0.695 | 70% | 0.702 | S | S | * | * | trans | -69.1 | 96 | 163.9 | 29.6 | -30.6 | 0 | 0 | 0 | 107.8 | E419 | P417-E419 PolarHBondContact O-N 3.4Å; P417-E419 VanDerWaalsContact O-N 3.12Å | ||
| 418 | E | 59.3 | Low | 46.8 | Very low | 128 Ų | 128 | 130.7 Ų | 130.7 | 60% | 0.598 | 71% | 0.705 | S | S | * | * | trans | -58.2 | 115.1 | 167.3 | -71.4 | 173.8 | -153.2 | 0 | 0 | 107.4 | L413 I416 E420 | L413-E418 PolarHBondContact N-OE1 3.15Å; I416-E418 VanDerWaalsContact C-N 3.31Å; I416-E418 PolarHBondContact O-N 3.4Å; E418-E420 PolarHBondContact O-N 3.44Å | ||
| 419 | E | 58.4 | Low | 46.6 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 67% | 0.668 | 71% | 0.706 | S | S | * | * | trans | -59 | 130.4 | 179.9 | 54.2 | -175.8 | -172.1 | 0 | 0 | 109.9 | P417 R421 | P417-E419 PolarHBondContact O-N 3.4Å; P417-E419 VanDerWaalsContact O-N 3.12Å; E419-R421 VanDerWaalsContact C-N 3.27Å; E419-R421 HydrophobicContact CG-CG 4.48Å; E419-R421 PolarHBondContact O-N 3.23Å; E419-R421 IonicContact OE1-NE 3.72Å; E419-R421 IonicContact OE1-NH2 2.79Å | ||
| 420 | E | 47.7 | Very low | 46 | Very low | 179 Ų | 179 | 125 Ų | 125 | 84% | 0.836 | 70% | 0.703 | S | S | * | * | trans | -66.6 | 90.1 | 174.8 | -73.9 | -176.4 | 176 | 0 | 0 | 109.1 | E418 S422 | E418-E420 PolarHBondContact O-N 3.44Å; E420-S422 PolarHBondContact O-N 2.86Å; E420-S422 PolarHBondContact O-OG 3.31Å | ||
| 421 | R | 42.8 | Very low | 45.1 | Very low | 195 Ų | 195 | 128.9 Ų | 128.9 | 74% | 0.736 | 71% | 0.711 | S | S | * | * | trans | -67.4 | 83.1 | 162.8 | -72.1 | -171.7 | 177.5 | -161.4 | -2.2 | 108 | E419 T423 | E419-R421 VanDerWaalsContact C-N 3.27Å; E419-R421 HydrophobicContact CG-CG 4.48Å; E419-R421 PolarHBondContact O-N 3.23Å; E419-R421 IonicContact OE1-NE 3.72Å; E419-R421 IonicContact OE1-NH2 2.79Å; R421-T423 PolarHBondContact O-N 3.2Å | ||
| 422 | S | 35.8 | Very low | 44.6 | Very low | 95 Ų | 95 | 130.7 Ų | 130.7 | 66% | 0.664 | 72% | 0.715 | S | S | * | * | trans | -68.2 | 67.1 | 175 | -61.9 | 0 | 0 | 0 | 0 | 111 | E420 V424 | E420-S422 PolarHBondContact O-N 2.86Å; E420-S422 PolarHBondContact O-OG 3.31Å; S422-V424 PolarHBondContact O-N 3.45Å | ||
| 423 | T | 35.7 | Very low | 44.2 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | -76.4 | 65.2 | 171.8 | 56.1 | 0 | 0 | 0 | 0 | 110.2 | R421 | R421-T423 PolarHBondContact O-N 3.2Š| ||
| 424 | V | 37.3 | Very low | 43.5 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 74% | 0.739 | 74% | 0.738 | S | S | * | * | trans | -125.3 | 82 | 159.5 | -176.2 | 0 | 0 | 0 | 0 | 103.7 | S422 | S422-V424 PolarHBondContact O-N 3.45Š| ||
| 425 | S | 34.6 | Very low | 42.3 | Very low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | 53.6 | 81.7 | 56.8 | -164.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 426 | S | 33.4 | Very low | 41.5 | Very low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 75% | 0.747 | S | S | * | * | trans | 47.6 | 86.4 | 160.2 | -52.1 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 427 | A | 39.7 | Very low | 40.8 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -96.3 | 89.5 | 144.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | M429 | A427-M429 PolarHBondContact O-N 3.08Š| ||
| 428 | E | 41 | Very low | 39.8 | Very low | 175 Ų | 175 | 136.2 Ų | 136.2 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -69 | 106.9 | 172.5 | -69.5 | 160.4 | 120.9 | 0 | 0 | 108.6 | ||||
| 429 | M | 42 | Very low | 38.7 | Very low | 187 Ų | 187 | 141.4 Ų | 141.4 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -94.4 | 89.6 | 162.9 | -80.5 | -166.7 | 65.5 | 0 | 0 | 108.7 | A427 F431 | A427-M429 PolarHBondContact O-N 3.08Å; M429-F431 PolarHBondContact O-N 3.4Å | ||
| 430 | D | 32.5 | Very low | 37.5 | Very low | 135 Ų | 135 | 143.2 Ų | 143.2 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -56.3 | 124.6 | 165.3 | 172.9 | 18.5 | 0 | 0 | 0 | 110.5 | D432 | D430-D432 PolarHBondContact OD1-N 3.4Š| ||
| 431 | F | 37.3 | Very low | 36.9 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | trans | -152.1 | 75.5 | 154.6 | -157.8 | -92.2 | 0 | 0 | 0 | 110.9 | M429 Q433 | M429-F431 PolarHBondContact O-N 3.4Å; F431-Q433 PolarHBondContact O-N 2.93Å; F431-Q433 VanDerWaalsContact O-N 3.16Å | ||
| 432 | D | 37.8 | Very low | 36.5 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -69.6 | 102.1 | 173.8 | -133.6 | -9.8 | 0 | 0 | 0 | 111.6 | D430 | D430-D432 PolarHBondContact OD1-N 3.4Š| ||
| 433 | Q | 43 | Very low | 36.4 | Very low | 172 Ų | 172 | 138.8 Ų | 138.8 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -160.5 | 138.6 | 144.3 | -115.4 | 162.3 | 54.1 | 0 | 0 | 114 | F431 | F431-Q433 PolarHBondContact O-N 2.93Å; F431-Q433 VanDerWaalsContact O-N 3.16Å | ||
| 434 | P | 34.6 | Very low | 36.3 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -99.4 | 147.3 | -166.9 | 37.1 | -35 | 0 | 0 | 0 | 114.8 | ||||
| 435 | G | 34 | Very low | 36.4 | Very low | 69 Ų | 69 | 148 Ų | 148 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | 82 | 105 | 140.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 436 | T | 38.7 | Very low | 36.6 | Very low | 157 Ų | 157 | 151.3 Ų | 151.3 | 96% | 0.963 | 82% | 0.824 | S | S | * | * | -162.3 | 145.2 | 120.1 | 13 | 0 | 0 | 0 | 0 | 109 | |||||
| 437 | G | 32.3 | Very low | 36.9 | Very low | 72 Ų | 72 | 152.7 Ų | 152.7 | 74% | 0.742 | 82% | 0.821 | S | S | * | * | trans | -129 | 131.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 438 | I | 38.6 | Very low | 36.8 | Very low | 163 Ų | 163 | 155.2 Ų | 155.2 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | trans | -147 | 105.8 | 162.3 | -84.4 | 131.6 | 0 | 0 | 0 | 102.5 | ||||
| 439 | R | 35.7 | Very low | 36.6 | Very low | 237 Ų | 237 | 152.2 Ų | 152.2 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | 67 | 126.5 | 78.7 | -168 | 172.6 | -174.5 | 148 | 3.2 | 112.1 | |||||
| 440 | M | 33.1 | Very low | 36.5 | Very low | 180 Ų | 180 | 150.8 Ų | 150.8 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | -60.8 | 153.6 | -179.8 | -60.1 | 169.8 | 174 | 0 | 0 | 112.5 | ||||
| 441 | D | 35.6 | Very low | 36.7 | Very low | 158 Ų | 158 | 151.4 Ų | 151.4 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | -149.8 | 165.4 | 126.5 | -135.8 | -37.1 | 0 | 0 | 0 | 111.7 | |||||
| 442 | T | 32.8 | Very low | 36.8 | Very low | 135 Ų | 135 | 148.4 Ų | 148.4 | 83% | 0.828 | 80% | 0.801 | S | S | * | * | trans | -117.9 | 114.1 | 177.3 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 443 | G | 35.6 | Very low | 36.6 | Very low | 84 Ų | 84 | 148.7 Ų | 148.7 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -112.7 | 153.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 444 | R | 32.2 | Very low | 36.4 | Very low | 249 Ų | 249 | 145.7 Ų | 145.7 | 94% | 0.94 | 80% | 0.8 | S | S | * | * | trans | -141.2 | 114.1 | -179 | 173.8 | -166.3 | 167 | 145.5 | 1.5 | 111 | ||||
| 445 | E | 39 | Very low | 36.6 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -142.7 | 152.6 | 168.6 | -62.3 | 175.5 | 153.2 | 0 | 0 | 105.1 | ||||
| 446 | E | 39.2 | Very low | 36.7 | Very low | 170 Ų | 170 | 149.4 Ų | 149.4 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | cis | -154.8 | -167.7 | 7 | -140 | -173.9 | -177.9 | 0 | 0 | 106.4 | ||||
| 447 | M | 39.4 | Very low | 36.7 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 61% | 0.611 | 80% | 0.798 | S | S | * | * | cis | -159.2 | 142.2 | -6.6 | -176.5 | 161.5 | 73.5 | 0 | 0 | 108.5 | ||||
| 448 | E | 39.3 | Very low | 36.8 | Very low | 146 Ų | 146 | 155.1 Ų | 155.1 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | trans | 59 | 160.4 | 158.4 | -74 | -176.8 | 134.4 | 0 | 0 | 120.6 | ||||
| 449 | N | 36.4 | Very low | 36.9 | Very low | 113 Ų | 113 | 156.8 Ų | 156.8 | 60% | 0.604 | 80% | 0.804 | S | S | * | * | cis | -156 | 143.7 | -15.3 | -115.2 | -27.9 | 0 | 0 | 0 | 110.3 | ||||
| 450 | N | 39.9 | Very low | 36.7 | Very low | 156 Ų | 156 | 152.4 Ų | 152.4 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | 159.4 | 99.5 | 139.2 | -83.3 | -31.5 | 0 | 0 | 0 | 114.8 | ||||
| 451 | I | 36.4 | Very low | 36.9 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 76% | 0.764 | 80% | 0.801 | S | S | * | * | trans | -18.4 | 133.1 | 148.6 | -31 | -179.1 | 0 | 0 | 0 | 113.7 | ||||
| 452 | V | 38.4 | Very low | 36.8 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | -170.1 | 152.4 | 86.3 | 159.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 453 | L | 35.4 | Very low | 37.1 | Very low | 151 Ų | 151 | 148.8 Ų | 148.8 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -15.3 | 153.6 | 166.1 | -85.2 | 55.6 | 0 | 0 | 0 | 119 | ||||
| 454 | S | 38.7 | Very low | 37 | Very low | 109 Ų | 109 | 151.2 Ų | 151.2 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | cis | -152.4 | -178 | 30.3 | -151.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 455 | Q | 37.2 | Very low | 37.4 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -90.1 | 160.2 | -170.6 | -61.5 | 162.4 | -37.1 | 0 | 0 | 114.5 | ||||
| 456 | G | 36.7 | Very low | 37.2 | Very low | 75 Ų | 75 | 142.2 Ų | 142.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -177.9 | 120.2 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 457 | D | 38.1 | Very low | 37.2 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | trans | -56.9 | 142.6 | -178.6 | -75.7 | -82.7 | 0 | 0 | 0 | 114.8 | ||||
| 458 | R | 34.7 | Very low | 36.9 | Very low | 211 Ų | 211 | 144.3 Ų | 144.3 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | 78.2 | 103.1 | 52.1 | -170.2 | -163.3 | -161 | 165.1 | 4.8 | 113.8 | |||||
| 459 | Q | 41.4 | Very low | 36.9 | Very low | 198 Ų | 198 | 145.9 Ų | 145.9 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -172.2 | 155.2 | 134.9 | -106.1 | 166.8 | 49.7 | 0 | 0 | 113.1 | ||||
| 460 | T | 31 | Very low | 36.9 | Very low | 144 Ų | 144 | 143.6 Ų | 143.6 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -113.3 | 148.6 | 179.5 | 45.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 461 | G | 37.7 | Very low | 36.9 | Very low | 81 Ų | 81 | 145.3 Ų | 145.3 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | -157.2 | 122.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 462 | E | 33.6 | Very low | 36.9 | Very low | 196 Ų | 196 | 146.8 Ų | 146.8 | 92% | 0.916 | 80% | 0.798 | S | S | * | * | trans | -86.9 | 151.9 | 172.9 | -64.8 | 160.1 | 88.3 | 0 | 0 | 111 | ||||
| 463 | S | 39.3 | Very low | 36.7 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -164.5 | 150.5 | 139.4 | 46.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 464 | T | 32 | Very low | 36.8 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -119.3 | 134.9 | -174.9 | -48.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 465 | V | 41.9 | Very low | 36.6 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | -139.9 | 130 | 162.5 | -170.4 | 0 | 0 | 0 | 0 | 109.5 | Y467 | V465-Y467 HydrophobicContact CG1-CD2 4.28Å; V465-Y467 HydrophobicContact CG1-CE2 3.99Å | ||
| 466 | D | 33.8 | Very low | 36.6 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 67% | 0.674 | 80% | 0.797 | S | S | * | * | trans | -100.4 | 148.9 | -179.9 | -149.7 | -29 | 0 | 0 | 0 | 109.7 | ||||
| 467 | Y | 39.3 | Very low | 36.4 | Very low | 221 Ų | 221 | 150.3 Ų | 150.3 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -148.1 | 131.1 | 159.3 | -89.7 | -66.2 | 0 | 0 | 0 | 111.7 | V465 | V465-Y467 HydrophobicContact CG1-CD2 4.28Å; V465-Y467 HydrophobicContact CG1-CE2 3.99Å | ||
| 468 | T | 32.7 | Very low | 36.1 | Very low | 117 Ų | 117 | 150.3 Ų | 150.3 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | trans | -116.1 | -175.6 | -164.1 | -22 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 469 | Q | 39.5 | Very low | 35.9 | Very low | 179 Ų | 179 | 148 Ų | 148 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | 93.2 | 142.3 | 165.8 | -57.2 | -172.7 | 43.5 | 0 | 0 | 116.7 | ||||
| 470 | A | 38 | Very low | 35.2 | Very low | 66 Ų | 66 | 146.5 Ų | 146.5 | 55% | 0.545 | 78% | 0.784 | S | S | . | * | cis | -171 | 160.6 | -9.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 471 | K | 39 | Very low | 35.1 | Very low | 191 Ų | 191 | 145 Ų | 145 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | 68.3 | 153.8 | 155.8 | -64.9 | 148.2 | -174 | 174.1 | 0 | 116.6 | ||||
| 472 | K | 35.8 | Very low | 34.5 | Very low | 181 Ų | 181 | 151 Ų | 151 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | cis | -156.8 | 133.3 | -12.5 | -118 | -163.4 | 164.3 | -156.1 | 0 | 105.3 | ||||
| 473 | A | 34 | Very low | 34.3 | Very low | 77 Ų | 77 | 151 Ų | 151 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | 85.9 | 160.6 | 75.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 474 | E | 38.5 | Very low | 33.9 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | 72.1 | 99.1 | -166.8 | -64.1 | 164.9 | -167.7 | 0 | 0 | 111.7 | ||||
| 475 | D | 34.7 | Very low | 33.8 | Very low | 152 Ų | 152 | 154.5 Ų | 154.5 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | cis | 83.5 | 97.3 | 45.9 | -57.8 | -50.1 | 0 | 0 | 0 | 113.3 | ||||
| 476 | D | 37 | Very low | 33.3 | Very low | 174 Ų | 174 | 154.2 Ų | 154.2 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | trans | -152.7 | 153.8 | 137.2 | -136 | -23.6 | 0 | 0 | 0 | 111.6 | ||||
| 477 | E | 33.1 | Very low | 33.1 | Very low | 154 Ų | 154 | 160 Ų | 160 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -101.8 | 156.9 | -149.2 | -166.6 | 177.8 | 95.8 | 0 | 0 | 115.9 | ||||
| 478 | Q | 30.7 | Very low | 32.9 | Very low | 139 Ų | 139 | 158.2 Ų | 158.2 | 65% | 0.65 | 78% | 0.784 | S | S | * | * | trans | 88.8 | 139.9 | 148.1 | -106.2 | 177.2 | 77.7 | 0 | 0 | 122.6 | ||||
| 479 | Q | 30.6 | Very low | 32.9 | Very low | 161 Ų | 161 | 155.4 Ų | 155.4 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 76.7 | 94.7 | 153.8 | -63.4 | -178 | 47.5 | 0 | 0 | 121.3 | ||||
| 480 | I | 27.9 | Very low | 32.4 | Very low | 168 Ų | 168 | 154 Ų | 154 | 86% | 0.862 | 78% | 0.782 | S | S | * | * | trans | -74.1 | 136.9 | 154.5 | -59.7 | 157.9 | 0 | 0 | 0 | 110.2 | ||||
| 481 | P | 27 | Very low | 32.1 | Very low | 112 Ų | 112 | 157 Ų | 157 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -128.7 | 129.3 | 150.9 | 35.1 | -23.2 | 0 | 0 | 0 | 113.7 | K483 | P481-K483 PolarHBondContact O-N 2.92Š| ||
| 482 | K | 27 | Very low | 31.7 | Very low | 208 Ų | 208 | 152.6 Ų | 152.6 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -68 | 124.5 | 161.2 | -63.7 | 170.9 | 179.9 | 174 | 0 | 108.6 | ||||
| 483 | K | 28.6 | Very low | 31.6 | Very low | 194 Ų | 194 | 154 Ų | 154 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -147.3 | 94.1 | 166.7 | -140.7 | 167.7 | -174.5 | 178.2 | 0 | 110.2 | P481 | P481-K483 PolarHBondContact O-N 2.92Š| ||
| 484 | H | 30.2 | Very low | 32.2 | Very low | 174 Ų | 174 | 154.1 Ų | 154.1 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | 76.1 | 115.7 | 82.5 | -150.4 | -62.7 | 0 | 0 | 0 | 112.7 | |||||
| 485 | I | 29.6 | Very low | 32.9 | Very low | 156 Ų | 156 | 149.7 Ų | 149.7 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -60.5 | 132.2 | 174.4 | -68.9 | 163.8 | 0 | 0 | 0 | 109.4 | ||||
| 486 | T | 32.2 | Very low | 33.7 | Very low | 118 Ų | 118 | 150.6 Ų | 150.6 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | trans | -104.9 | 135.8 | 165.9 | 38.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 487 | R | 29.4 | Very low | 34.5 | Very low | 247 Ų | 247 | 151.4 Ų | 151.4 | 93% | 0.932 | 76% | 0.762 | S | S | * | * | trans | -121 | 74.6 | -176.4 | -170.7 | -176.2 | -177 | -176.6 | 1.9 | 109.9 | ||||
| 488 | E | 34.7 | Very low | 35.6 | Very low | 183 Ų | 183 | 147.3 Ų | 147.3 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | -95 | 148.6 | 170.2 | -62.9 | 178.2 | -170.9 | 0 | 0 | 109 | ||||
| 489 | G | 32.7 | Very low | 36.6 | Very low | 58 Ų | 58 | 142.8 Ų | 142.8 | 60% | 0.598 | 73% | 0.734 | S | S | * | * | cis | 164.3 | 80.5 | -0.2 | 0 | 0 | 0 | 0 | 0 | 109 | V491 | G489-V491 PolarHBondContact O-N 3.34Š| ||
| 490 | V | 29.6 | Very low | 37.4 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 92% | 0.915 | 72% | 0.723 | S | S | * | * | trans | -73.5 | 92.2 | -170 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | S492 | V490-S492 PolarHBondContact O-N 2.94Š| ||
| 491 | V | 31.1 | Very low | 38.8 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | trans | -83.6 | 99 | 172.2 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | G489 | G489-V491 PolarHBondContact O-N 3.34Š| ||
| 492 | S | 31.1 | Very low | 40 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 70% | 0.699 | S | S | * | * | trans | -80.4 | 118.2 | 169.7 | -167.4 | 0 | 0 | 0 | 0 | 110.1 | V490 V494 | V490-S492 PolarHBondContact O-N 2.94Å; S492-V494 PolarHBondContact O-N 3.33Å; S492-V494 VanDerWaalsContact O-N 3.11Å | ||
| 493 | Y | 34.3 | Very low | 41.3 | Very low | 209 Ų | 209 | 134.2 Ų | 134.2 | 82% | 0.82 | 69% | 0.691 | S | S | * | * | trans | -82.1 | 89.8 | -174.4 | -148.4 | -86 | 0 | 0 | 0 | 111.2 | P495 | Y493-P495 WeakPolarHBondContact O-CD 3.24Š| ||
| 494 | V | 46.3 | Very low | 42.4 | Very low | 80 Ų | 80 | 132.8 Ų | 132.8 | 49% | 0.485 | 68% | 0.681 | S | S | . | * | trans | -79.3 | 122.3 | 172.5 | -180 | 0 | 0 | 0 | 0 | 109.1 | S492 E496 V498 A499 | S492-V494 PolarHBondContact O-N 3.33Å; S492-V494 VanDerWaalsContact O-N 3.11Å; V494-E496 PolarHBondContact O-N 3.26Å; V494-V498 HydrophobicContact CG1-CB 4.11Å; V494-V498 HydrophobicContact CG1-CG1 4.17Å; V494-A499 HydrophobicContact CG1-CB 4.46Å | ||
| 495 | P | 53.9 | Low | 43.4 | Very low | 78 Ų | 78 | 130.4 Ų | 130.4 | 51% | 0.506 | 67% | 0.67 | S | S | . | * | trans | -61.5 | 137.8 | 178.3 | -23.2 | 34 | 0 | 0 | 0 | 111.8 | Y493 K497 V498 A499 | Y493-P495 WeakPolarHBondContact O-CD 3.24Å; P495-K497 PolarHBondContact O-N 3.44Å; P495-K497 VanDerWaalsContact O-N 3.1Å; P495-V498 HydrophobicContact CB-CG2 4.23Å; P495-V498 HydrophobicContact CG-CG2 4.4Å; P495-V498 WeakPolarHBondContact O-CA 3.44Å; P495-V498 WeakPolarHBondContact O-CB 3.33Å; P495-V498 PolarHBondContact O-N 2.88Å; P495-A499 PolarHBondContact O-N 2.88Å; P495-A499 VanDerWaalsContact O-N 3.12Å | ||
| 496 | E | 50.8 | Low | 43.6 | Very low | 172 Ų | 172 | 126.5 Ų | 126.5 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -52.2 | -38.6 | -174.8 | -172.6 | 179.4 | -159.9 | 0 | 0 | 113.7 | V494 V498 A499 H500 | V494-E496 PolarHBondContact O-N 3.26Å; E496-V498 VanDerWaalsContact C-N 3.3Å; E496-V498 PolarHBondContact O-N 3.46Å; E496-A499 PolarHBondContact O-N 3.49Å; E496-H500 PolarHBondContact O-N 3.37Å |
| 497 | K | 53.7 | Low | 43.9 | Very low | 190 Ų | 190 | 130.1 Ų | 130.1 | 83% | 0.826 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -64.4 | -30.6 | 175.6 | -66.4 | -175.3 | 179.4 | 179.2 | 0 | 113.5 | P495 W501 | P495-K497 PolarHBondContact O-N 3.44Å; P495-K497 VanDerWaalsContact O-N 3.1Å; K497-W501 WeakPolarHBondContact O-CB 3.49Å; K497-W501 PolarHBondContact O-N 3.43Å; K497-W501 VanDerWaalsContact O-N 3.1Å |
| 498 | V | 55.7 | Low | 44.1 | Very low | 68 Ų | 68 | 121.9 Ų | 121.9 | 41% | 0.412 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -77.3 | -41.4 | 175.8 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | V494 P495 E496 H500 W501 L502 | V494-V498 HydrophobicContact CG1-CB 4.11Å; V494-V498 HydrophobicContact CG1-CG1 4.17Å; P495-V498 HydrophobicContact CB-CG2 4.23Å; P495-V498 HydrophobicContact CG-CG2 4.4Å; P495-V498 WeakPolarHBondContact O-CA 3.44Å; P495-V498 WeakPolarHBondContact O-CB 3.33Å; P495-V498 PolarHBondContact O-N 2.88Å; E496-V498 VanDerWaalsContact C-N 3.3Å; E496-V498 PolarHBondContact O-N 3.46Å; V498-H500 PolarHBondContact O-N 3.21Å; V498-W501 PolarHBondContact O-N 2.93Å; V498-L502 HydrophobicContact CG1-CD1 4.09Å; V498-L502 HydrophobicContact CG1-CG 4.42Å; V498-L502 WeakPolarHBondContact O-CG 3.44Å; V498-L502 PolarHBondContact O-N 3.14Å |
| 499 | A | 52.8 | Low | 44 | Very low | 44 Ų | 44 | 124.5 Ų | 124.5 | 36% | 0.364 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -57.2 | -49 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | V494 P495 E496 W501 L502 S503 | V494-A499 HydrophobicContact CG1-CB 4.46Å; P495-A499 PolarHBondContact O-N 2.88Å; P495-A499 VanDerWaalsContact O-N 3.12Å; E496-A499 PolarHBondContact O-N 3.49Å; A499-W501 VanDerWaalsContact C-N 3.3Å; A499-W501 PolarHBondContact O-N 3.23Å; A499-L502 PolarHBondContact O-N 2.78Å; A499-S503 WeakPolarHBondContact O-CB 3.49Å; A499-S503 PolarHBondContact O-N 3.18Å; A499-S503 PolarHBondContact O-OG 3.31Å; A499-S503 VanDerWaalsContact O-OG 3.1Å |
| 500 | H | 47.5 | Very low | 44 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 53% | 0.528 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -65 | -30.6 | 177.7 | -163.9 | -8.6 | 0 | 0 | 0 | 113.2 | E496 V498 R504 | E496-H500 PolarHBondContact O-N 3.37Å; V498-H500 PolarHBondContact O-N 3.21Å; H500-R504 PolarHBondContact CE1-NH2 3.49Å; H500-R504 PolarHBondContact NE2-NH2 2.88Å; H500-R504 VanDerWaalsContact NE2-NH2 3.19Å; H500-R504 WeakPolarHBondContact O-CB 3.47Å; H500-R504 PolarHBondContact O-N 2.67Å |
| 501 | W | 56.2 | Low | 44.2 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 58% | 0.576 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -70.9 | -45.8 | 174.7 | -175.1 | 81 | 0 | 0 | 0 | 112.1 | K497 V498 A499 S503 R504 H505 | K497-W501 WeakPolarHBondContact O-CB 3.49Å; K497-W501 PolarHBondContact O-N 3.43Å; K497-W501 VanDerWaalsContact O-N 3.1Å; V498-W501 PolarHBondContact O-N 2.93Å; A499-W501 VanDerWaalsContact C-N 3.3Å; A499-W501 PolarHBondContact O-N 3.23Å; W501-S503 PolarHBondContact O-N 3.22Å; W501-R504 PolarHBondContact O-N 2.9Å; W501-H505 AromaticContact CD1-CD2 3.77Å; W501-H505 AromaticContact CE2-CD2 3.61Å; W501-H505 AromaticContact NE1-CD2 3.35Å; W501-H505 PolarHBondContact NE1-CD2 3.35Å; W501-H505 VanDerWaalsContact NE1-CD2 3.35Å; W501-H505 AromaticContact NE1-NE2 3.62Å; W501-H505 PolarHBondContact O-N 3.48Å |
| 502 | L | 52.7 | Low | 44.3 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 51% | 0.508 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -60.5 | -44.5 | 175.9 | -70 | 169.8 | 0 | 0 | 0 | 111.3 | V498 A499 R504 H505 G506 | V498-L502 HydrophobicContact CG1-CD1 4.09Å; V498-L502 HydrophobicContact CG1-CG 4.42Å; V498-L502 WeakPolarHBondContact O-CG 3.44Å; V498-L502 PolarHBondContact O-N 3.14Å; A499-L502 PolarHBondContact O-N 2.78Å; L502-R504 PolarHBondContact O-N 3.44Å; L502-H505 PolarHBondContact O-N 2.81Å; L502-G506 PolarHBondContact O-N 2.95Å; L502-G506 VanDerWaalsContact O-N 3.15Å |
| 503 | S | 54.1 | Low | 44.3 | Very low | 107 Ų | 107 | 131.3 Ų | 131.3 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -64.3 | -6.1 | 174 | -59.6 | 0 | 0 | 0 | 0 | 114.9 | A499 W501 | A499-S503 WeakPolarHBondContact O-CB 3.49Å; A499-S503 PolarHBondContact O-N 3.18Å; A499-S503 PolarHBondContact O-OG 3.31Å; A499-S503 VanDerWaalsContact O-OG 3.1Å; W501-S503 PolarHBondContact O-N 3.22Å |
| 504 | R | 52.1 | Low | 44.1 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 62% | 0.619 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -111.1 | -7 | 179.9 | -151.4 | -173.2 | -61.9 | -161.9 | -1.3 | 114 | H500 W501 L502 | H500-R504 PolarHBondContact CE1-NH2 3.49Å; H500-R504 PolarHBondContact NE2-NH2 2.88Å; H500-R504 VanDerWaalsContact NE2-NH2 3.19Å; H500-R504 WeakPolarHBondContact O-CB 3.47Å; H500-R504 PolarHBondContact O-N 2.67Å; W501-R504 PolarHBondContact O-N 2.9Å; L502-R504 PolarHBondContact O-N 3.44Å |
| 505 | H | 50.4 | Low | 43.4 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 57% | 0.574 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -132.5 | 4.9 | -178.7 | -68.5 | -65.2 | 0 | 0 | 0 | 114.1 | W501 L502 E507 | W501-H505 AromaticContact CD1-CD2 3.77Å; W501-H505 AromaticContact CE2-CD2 3.61Å; W501-H505 AromaticContact NE1-CD2 3.35Å; W501-H505 PolarHBondContact NE1-CD2 3.35Å; W501-H505 VanDerWaalsContact NE1-CD2 3.35Å; W501-H505 AromaticContact NE1-NE2 3.62Å; W501-H505 PolarHBondContact O-N 3.48Å; L502-H505 PolarHBondContact O-N 2.81Å; H505-E507 VanDerWaalsContact C-N 3.29Å; H505-E507 PolarHBondContact O-N 3.27Å; H505-E507 VanDerWaalsContact O-N 3.11Å |
| 506 | G | 35.3 | Very low | 42.3 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | trans | -81.8 | 49 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L502 | L502-G506 PolarHBondContact O-N 2.95Å; L502-G506 VanDerWaalsContact O-N 3.15Å | ||
| 507 | E | 37.5 | Very low | 41.4 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 91% | 0.907 | 72% | 0.716 | S | S | * | * | trans | -113.6 | 118.3 | 170.3 | -77.3 | -166.3 | 123.4 | 0 | 0 | 111.7 | H505 | H505-E507 VanDerWaalsContact C-N 3.29Å; H505-E507 PolarHBondContact O-N 3.27Å; H505-E507 VanDerWaalsContact O-N 3.11Å | ||
| 508 | G | 32.6 | Very low | 40.4 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 130 | 119.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 509 | R | 33.2 | Very low | 39.3 | Very low | 239 Ų | 239 | 144.4 Ų | 144.4 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | 76.2 | 80.8 | 164.3 | -51.9 | -179.1 | -172.1 | 177.7 | 2.9 | 117.4 | ||||
| 510 | E | 34.1 | Very low | 38.4 | Very low | 199 Ų | 199 | 147.6 Ų | 147.6 | 93% | 0.93 | 76% | 0.761 | S | S | * | * | 25.3 | 108 | 120.1 | -63.9 | 168 | -171.7 | 0 | 0 | 118.2 | |||||
| 511 | A | 31.9 | Very low | 37.6 | Very low | 92 Ų | 92 | 150.3 Ų | 150.3 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | trans | -151.3 | 130.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 512 | P | 33.8 | Very low | 36.6 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80 | 141.3 | -171.7 | -14.3 | 30.5 | 0 | 0 | 0 | 114.1 | ||
| 513 | L | 31 | Very low | 35.6 | Very low | 157 Ų | 157 | 156.3 Ų | 156.3 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 120.8 | 161.1 | -87.2 | 163.6 | 0 | 0 | 0 | 109.4 | ||
| 514 | Y | 30.4 | Very low | 34.4 | Very low | 228 Ų | 228 | 159.1 Ų | 159.1 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 117.4 | 158.7 | -107.9 | -97.6 | 0 | 0 | 0 | 108.6 | ||
| 515 | I | 31.1 | Very low | 33.6 | Very low | 135 Ų | 135 | 159.8 Ų | 159.8 | 69% | 0.692 | 82% | 0.82 | S | S | * | * | trans | -116.4 | 113 | 162.6 | -65.4 | 176.6 | 0 | 0 | 0 | 105.1 | ||||
| 516 | D | 31.2 | Very low | 32.6 | Very low | 154 Ų | 154 | 159 Ų | 159 | 82% | 0.824 | 83% | 0.829 | S | S | * | * | trans | -69.7 | 140.8 | 170.8 | -158.7 | -10 | 0 | 0 | 0 | 109.5 | ||||
| 517 | R | 31.9 | Very low | 32.5 | Very low | 211 Ų | 211 | 162.5 Ų | 162.5 | 80% | 0.796 | 84% | 0.835 | S | S | * | * | trans | -146.2 | 71.6 | -162.7 | -168.1 | -158.6 | 163.5 | 175.1 | -5.2 | 112.2 | ||||
| 518 | D | 33.7 | Very low | 32.2 | Very low | 158 Ų | 158 | 164.8 Ų | 164.8 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | trans | -127 | 103.9 | 161.9 | -109.5 | -31 | 0 | 0 | 0 | 111.2 | ||||
| 519 | M | 31.5 | Very low | 32 | Very low | 187 Ų | 187 | 164 Ų | 164 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -164.3 | 144.7 | 147.4 | -92.7 | -158.1 | 82.1 | 0 | 0 | 107.9 | ||||
| 520 | S | 34.3 | Very low | 32 | Very low | 111 Ų | 111 | 162.4 Ų | 162.4 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -78.2 | 147.8 | -162.7 | 44.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 521 | E | 30.6 | Very low | 31.9 | Very low | 171 Ų | 171 | 156 Ų | 156 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -71.5 | 126 | 166.4 | -63 | 179.8 | 119.4 | 0 | 0 | 110.4 | ||||
| 522 | H | 34.7 | Very low | 32 | Very low | 189 Ų | 189 | 157.7 Ų | 157.7 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | trans | -157.3 | 146.1 | 145.5 | -94.2 | -60.4 | 0 | 0 | 0 | 111.8 | ||||
| 523 | Q | 32 | Very low | 31.9 | Very low | 185 Ų | 185 | 160 Ų | 160 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | trans | 65.8 | 65.6 | 160.8 | -153.1 | 167.3 | 16.9 | 0 | 0 | 118.9 | ||||
| 524 | I | 29.8 | Very low | 32.2 | Very low | 167 Ų | 167 | 157.6 Ų | 157.6 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | trans | -91.4 | 112.6 | 150.9 | -63.4 | 173.1 | 0 | 0 | 0 | 108.7 | ||||
| 525 | Q | 34 | Very low | 32.3 | Very low | 178 Ų | 178 | 154.4 Ų | 154.4 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | -160.8 | 117.9 | 162.2 | -114.6 | 155.4 | 9.5 | 0 | 0 | 114.7 | ||||
| 526 | S | 30.4 | Very low | 32.5 | Very low | 108 Ų | 108 | 154.9 Ų | 154.9 | 76% | 0.755 | 82% | 0.816 | S | S | * | * | trans | 43.2 | 106.4 | 141.4 | -178.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 527 | V | 33.4 | Very low | 32.5 | Very low | 145 Ų | 145 | 156.1 Ų | 156.1 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | -134.7 | 138.5 | 124.1 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 528 | R | 30.1 | Very low | 32.6 | Very low | 243 Ų | 243 | 154 Ų | 154 | 92% | 0.917 | 82% | 0.815 | S | S | * | * | trans | -115.4 | 149.3 | 163.6 | -69 | 177.9 | 178.4 | 159 | -1.9 | 108.4 | ||||
| 529 | G | 29 | Very low | 32.5 | Very low | 56 Ų | 56 | 155.3 Ų | 155.3 | 58% | 0.577 | 81% | 0.809 | S | S | * | * | trans | 143.2 | 144.2 | 157.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 530 | H | 34.1 | Very low | 32.5 | Very low | 206 Ų | 206 | 156.2 Ų | 156.2 | 95% | 0.954 | 81% | 0.808 | S | S | * | * | trans | 63.7 | 144.4 | 177.9 | -43.2 | -82.6 | 0 | 0 | 0 | 114.7 | ||||
| 531 | G | 30.7 | Very low | 32.4 | Very low | 64 Ų | 64 | 156 Ų | 156 | 66% | 0.66 | 81% | 0.814 | S | S | * | * | cis | -175.7 | 137.1 | -9.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 532 | P | 34.2 | Very low | 32.5 | Very low | 128 Ų | 128 | 152.5 Ų | 152.5 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -85.6 | 141.1 | -165.7 | 32.7 | -35 | 0 | 0 | 0 | 113.4 | ||||
| 533 | H | 32.3 | Very low | 32.3 | Very low | 180 Ų | 180 | 155 Ų | 155 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | trans | -133.6 | 118.2 | 165.3 | -103.3 | -92.9 | 0 | 0 | 0 | 112.5 | ||||
| 534 | S | 36.6 | Very low | 32.5 | Very low | 105 Ų | 105 | 157.3 Ų | 157.3 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | 35.4 | 116.2 | 149.5 | 51.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 535 | N | 33 | Very low | 32.7 | Very low | 161 Ų | 161 | 155.1 Ų | 155.1 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | trans | -47.2 | 146.3 | 156.9 | -74.5 | -55.9 | 0 | 0 | 0 | 113 | ||||
| 536 | I | 35.3 | Very low | 32.8 | Very low | 145 Ų | 145 | 155.2 Ų | 155.2 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | -147.9 | 126.9 | 148.9 | -121.3 | 162.7 | 0 | 0 | 0 | 110.9 | ||||
| 537 | Y | 30.8 | Very low | 33 | Very low | 180 Ų | 180 | 158.6 Ų | 158.6 | 71% | 0.706 | 82% | 0.819 | S | S | * | * | trans | 50.5 | 92.2 | 171.9 | -58.5 | -57.5 | 0 | 0 | 0 | 121.5 | Y539 | Y537-Y539 AromaticContact CD1-CD2 3.82Å; Y537-Y539 HydrophobicContact CD1-CD2 3.82Å; Y537-Y539 AromaticContact CD1-CE2 3.66Å; Y537-Y539 HydrophobicContact CD1-CE2 3.66Å; Y537-Y539 HydrophobicContact CE1-CE2 4.21Å; Y537-Y539 HydrophobicContact CG-CD2 4.23Å; Y537-Y539 HydrophobicContact CG-CE2 4.42Å | ||
| 538 | N | 34.5 | Very low | 33 | Very low | 168 Ų | 168 | 157.8 Ų | 157.8 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -64.9 | 120.8 | 135.9 | -76.6 | -43 | 0 | 0 | 0 | 109.5 | ||||
| 539 | Y | 32.2 | Very low | 33.2 | Very low | 184 Ų | 184 | 149.8 Ų | 149.8 | 72% | 0.722 | 81% | 0.812 | S | S | * | * | trans | -137.8 | 166.3 | 164.3 | -103.7 | -101.1 | 0 | 0 | 0 | 109.4 | Y537 | Y537-Y539 AromaticContact CD1-CD2 3.82Å; Y537-Y539 HydrophobicContact CD1-CD2 3.82Å; Y537-Y539 AromaticContact CD1-CE2 3.66Å; Y537-Y539 HydrophobicContact CD1-CE2 3.66Å; Y537-Y539 HydrophobicContact CE1-CE2 4.21Å; Y537-Y539 HydrophobicContact CG-CD2 4.23Å; Y537-Y539 HydrophobicContact CG-CE2 4.42Å | ||
| 540 | F | 31.1 | Very low | 33.4 | Very low | 206 Ų | 206 | 155 Ų | 155 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | trans | 73.2 | 60 | -178.3 | -50.9 | -70.8 | 0 | 0 | 0 | 117.3 | ||||
| 541 | A | 32.2 | Very low | 33.2 | Very low | 107 Ų | 107 | 151 Ų | 151 | 88% | 0.884 | 82% | 0.816 | S | S | * | * | trans | -139.2 | 43.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 542 | A | 32.1 | Very low | 33.5 | Very low | 97 Ų | 97 | 155.6 Ų | 155.6 | 80% | 0.802 | 83% | 0.825 | S | S | * | * | trans | -159.3 | 100 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 543 | R | 31.4 | Very low | 33.6 | Very low | 241 Ų | 241 | 156.9 Ų | 156.9 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | trans | -163.4 | 52.4 | 159.4 | -121.9 | -177.4 | -159.1 | -171.7 | 8 | 116.3 | ||||
| 544 | Y | 34.6 | Very low | 33.8 | Very low | 235 Ų | 235 | 152 Ų | 152 | 92% | 0.922 | 82% | 0.824 | S | S | * | * | trans | -139.2 | 122.5 | 159.6 | -90.9 | -74 | 0 | 0 | 0 | 110.5 | ||||
| 545 | P | 34.4 | Very low | 33.9 | Very low | 120 Ų | 120 | 156.2 Ų | 156.2 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | trans | -105.6 | 104.3 | -176.8 | 35.7 | -29.3 | 0 | 0 | 0 | 113.5 | ||||
| 546 | Q | 35.8 | Very low | 33.9 | Very low | 180 Ų | 180 | 152.6 Ų | 152.6 | 84% | 0.841 | 82% | 0.823 | S | S | * | * | trans | -141.2 | 106 | 158.1 | -67.8 | -170.5 | -9.6 | 0 | 0 | 106.5 | ||||
| 547 | Q | 34.8 | Very low | 33.9 | Very low | 180 Ų | 180 | 152.8 Ų | 152.8 | 84% | 0.841 | 83% | 0.826 | S | S | * | * | 76.5 | 124.8 | 84.8 | -79.9 | -169 | -19.4 | 0 | 0 | 114.6 | |||||
| 548 | S | 34.5 | Very low | 34.2 | Very low | 128 Ų | 128 | 151.5 Ų | 151.5 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | trans | 59.5 | 127.3 | 163.6 | 55 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 549 | G | 33.6 | Very low | 34.2 | Very low | 74 Ų | 74 | 149 Ų | 149 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | 141.6 | 68 | 147.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 550 | L | 33.5 | Very low | 34.1 | Very low | 167 Ų | 167 | 150.3 Ų | 150.3 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | 40.7 | 108.4 | 145.5 | -67.7 | 162.4 | 0 | 0 | 0 | 121.3 | ||||
| 551 | T | 29.9 | Very low | 34.2 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | trans | -14.2 | 141 | 143.6 | 52.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 552 | L | 37.4 | Very low | 34.1 | Very low | 162 Ų | 162 | 149.8 Ų | 149.8 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | -165.1 | 161.4 | 101.5 | -151.7 | 60.8 | 0 | 0 | 0 | 112.5 | |||||
| 553 | D | 35.8 | Very low | 34.1 | Very low | 155 Ų | 155 | 150 Ų | 150 | 83% | 0.829 | 82% | 0.816 | S | S | * | * | trans | -88.5 | 168.6 | -171.5 | -48.6 | -93.5 | 0 | 0 | 0 | 115.5 | ||||
| 554 | G | 36.4 | Very low | 34 | Very low | 78 Ų | 78 | 143.8 Ų | 143.8 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | 171.1 | 111.4 | 168 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 555 | H | 38.4 | Very low | 33.8 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 89% | 0.889 | 81% | 0.812 | S | S | * | * | trans | -48.7 | 133.4 | -176 | -74.5 | -53.5 | 0 | 0 | 0 | 120.2 | ||||
| 556 | A | 34.1 | Very low | 33.8 | Very low | 85 Ų | 85 | 143.6 Ų | 143.6 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | 49 | 134.6 | 114.3 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 557 | D | 35.5 | Very low | 33.5 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | 112.8 | 148.7 | 123.7 | -119.7 | -33.1 | 0 | 0 | 0 | 122.9 | |||||
| 558 | M | 36.1 | Very low | 33.3 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | trans | 70.6 | 106.4 | 160.5 | -69.9 | -148.9 | 154 | 0 | 0 | 125 | ||||
| 559 | T | 35.3 | Very low | 33 | Very low | 115 Ų | 115 | 150.9 Ų | 150.9 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | 64.1 | 99.5 | 128.2 | 62.7 | 0 | 0 | 0 | 0 | 123 | |||||
| 560 | R | 29.1 | Very low | 33 | Very low | 213 Ų | 213 | 154.7 Ų | 154.7 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | 38 | 121.5 | 110.4 | -170.5 | -172.2 | -165.3 | 178.7 | 7.7 | 119.1 | |||||
| 561 | N | 34.1 | Very low | 32.9 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -146.8 | 150.1 | 146.5 | -117.6 | -34.9 | 0 | 0 | 0 | 112.2 | ||||
| 562 | N | 29.5 | Very low | 33 | Very low | 135 Ų | 135 | 155.2 Ų | 155.2 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -104.9 | 146.5 | -178.5 | -69.9 | 0.2 | 0 | 0 | 0 | 111 | ||||
| 563 | A | 32.4 | Very low | 32.8 | Very low | 102 Ų | 102 | 150.8 Ų | 150.8 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -142.1 | 137.6 | 162 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 564 | S | 29.1 | Very low | 32.6 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -137.9 | 133.8 | -175.3 | 56.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 565 | W | 30.8 | Very low | 32.3 | Very low | 253 Ų | 253 | 153.6 Ų | 153.6 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | trans | -135.7 | 167.7 | 174.6 | -85.8 | 88.9 | 0 | 0 | 0 | 111.5 | ||||
| 566 | S | 34.6 | Very low | 32.1 | Very low | 99 Ų | 99 | 152.2 Ų | 152.2 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -118.5 | 156.5 | -139.1 | 58.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 567 | K | 27.9 | Very low | 32 | Very low | 201 Ų | 201 | 153.9 Ų | 153.9 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -21.4 | 145.7 | 161.3 | -71.6 | 173.3 | 172.1 | 173.7 | 0 | 116.6 | ||||
| 568 | R | 30.1 | Very low | 31.7 | Very low | 244 Ų | 244 | 153.6 Ų | 153.6 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -142.8 | 158.2 | 130.7 | -136.5 | 175.3 | -73.2 | -169.1 | -0.6 | 110.4 | ||||
| 569 | K | 29.7 | Very low | 31.6 | Very low | 195 Ų | 195 | 155 Ų | 155 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -148.2 | 134.6 | -174.1 | -168.2 | -169.4 | -173.3 | -167.4 | 0 | 108 | ||||
| 570 | I | 32.2 | Very low | 31.3 | Very low | 154 Ų | 154 | 155.6 Ų | 155.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | trans | -138.8 | 152.8 | 173.1 | -60 | -177.2 | 0 | 0 | 0 | 107.6 | ||||
| 571 | S | 31.8 | Very low | 31.4 | Very low | 103 Ų | 103 | 153.1 Ų | 153.1 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | trans | -154.3 | 123.1 | -172.9 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 572 | E | 33.3 | Very low | 31.2 | Very low | 196 Ų | 196 | 149.6 Ų | 149.6 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -148.3 | 158.9 | 172.7 | -78.9 | 174.3 | 164.7 | 0 | 0 | 108.1 | ||||
| 573 | G | 32.8 | Very low | 31.5 | Very low | 69 Ų | 69 | 149.7 Ų | 149.7 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | cis | 171.2 | 63.2 | -1.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 574 | S | 31.5 | Very low | 31.4 | Very low | 101 Ų | 101 | 150.5 Ų | 150.5 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | 79.1 | 146.1 | 154.3 | -141.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 575 | R | 30.1 | Very low | 31.6 | Very low | 191 Ų | 191 | 149 Ų | 149 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | 69.1 | 155.7 | 148.3 | -79.6 | 160.9 | 170.9 | 176.5 | -1.6 | 119.8 | ||||
| 576 | Y | 33.1 | Very low | 31.7 | Very low | 163 Ų | 163 | 145.5 Ų | 145.5 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | cis | -148.8 | 153.8 | 4 | -115.8 | -48.5 | 0 | 0 | 0 | 112.1 | ||||
| 577 | D | 33.4 | Very low | 31.7 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 64% | 0.642 | 79% | 0.794 | S | S | * | * | trans | 36.9 | 133.9 | 148.7 | -60.4 | -14.5 | 0 | 0 | 0 | 125.1 | ||||
| 578 | N | 29.4 | Very low | 32 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | 24.1 | 147.1 | 120.6 | -51.2 | -24.3 | 0 | 0 | 0 | 119.1 | |||||
| 579 | Q | 33.8 | Very low | 32.2 | Very low | 181 Ų | 181 | 144.4 Ų | 144.4 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | cis | -163.4 | 166.5 | 44.4 | -168.4 | 161.3 | -19.3 | 0 | 0 | 112.7 | ||||
| 580 | T | 28.3 | Very low | 32.3 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -72.8 | 148.1 | 176 | 51.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 581 | D | 31.9 | Very low | 32.4 | Very low | 161 Ų | 161 | 142.2 Ų | 142.2 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | -152.6 | 165.9 | 135.4 | -141.7 | -24 | 0 | 0 | 0 | 112.4 | ||||
| 582 | S | 29.5 | Very low | 32.6 | Very low | 92 Ų | 92 | 142.5 Ų | 142.5 | 64% | 0.643 | 77% | 0.769 | S | S | * | * | trans | -134.3 | 144.8 | -171.8 | 70.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 583 | T | 34.9 | Very low | 32.4 | Very low | 138 Ų | 138 | 139 Ų | 139 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | trans | -176.8 | 148.6 | 140.8 | 17.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 584 | S | 31.1 | Very low | 32.5 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -0.2 | 136.6 | 157.7 | 59.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 585 | G | 33.4 | Very low | 32.4 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | -165 | 96.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 586 | Q | 33.8 | Very low | 32.6 | Very low | 179 Ų | 179 | 140.7 Ų | 140.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | trans | -82.6 | 137.6 | 177.5 | -66.5 | -178.8 | -3.6 | 0 | 0 | 112.1 | ||||
| 587 | F | 34.2 | Very low | 32.5 | Very low | 217 Ų | 217 | 144.4 Ų | 144.4 | 95% | 0.952 | 79% | 0.79 | S | S | * | * | trans | -137.2 | 137.8 | 153.9 | -97.2 | -81.1 | 0 | 0 | 0 | 111.6 | ||||
| 588 | T | 34.8 | Very low | 32.6 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | trans | -122.6 | 146.5 | -174.5 | 58.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 589 | R | 32.5 | Very low | 32.9 | Very low | 195 Ų | 195 | 142.3 Ų | 142.3 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | 152.4 | 135 | 126.3 | -86.4 | 171.4 | 175.5 | -152.7 | 0.3 | 114.9 | |||||
| 590 | R | 31.7 | Very low | 32.7 | Very low | 206 Ų | 206 | 140.8 Ų | 140.8 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | 69.9 | 148.6 | 137.8 | -67.9 | 170.6 | -171.6 | -125.7 | -3.1 | 118.1 | ||||
| 591 | S | 35.8 | Very low | 33 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | cis | -167.5 | 158.8 | -12 | 44.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 592 | S | 35.1 | Very low | 32.9 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 63.9 | 124.7 | 145.6 | 54.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 593 | C | 29.5 | Very low | 33 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | trans | -76 | -177.2 | 163.2 | -47.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 594 | P | 35.1 | Very low | 32.9 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | -143 | 169.3 | 98.6 | 39.6 | -27.1 | 0 | 0 | 0 | 115.2 | |||||
| 595 | S | 30 | Very low | 32.7 | Very low | 111 Ų | 111 | 146.1 Ų | 146.1 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -99.5 | 162.6 | 169 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 596 | I | 33.3 | Very low | 32.7 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -126.8 | 131 | 171.9 | -65.3 | 179.2 | 0 | 0 | 0 | 109.3 | V598 | I596-V598 HydrophobicContact CG2-CG2 4.29Š| ||
| 597 | R | 30.2 | Very low | 32.5 | Very low | 240 Ų | 240 | 149.9 Ų | 149.9 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -114.6 | 129.1 | 167.6 | -76.4 | -178.8 | 171.7 | -177 | -2.1 | 109.3 | ||||
| 598 | V | 36.8 | Very low | 32.6 | Very low | 129 Ų | 129 | 146.2 Ų | 146.2 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | -145.1 | 100.3 | 160.5 | -176.2 | 0 | 0 | 0 | 0 | 104.2 | I596 | I596-V598 HydrophobicContact CG2-CG2 4.29Š| ||
| 599 | A | 35.5 | Very low | 32.6 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | 84.7 | 134.6 | 73.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 600 | N | 30.3 | Very low | 32.6 | Very low | 150 Ų | 150 | 145.8 Ų | 145.8 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -67.7 | 152.5 | -158.7 | -44.5 | -20.9 | 0 | 0 | 0 | 115.2 | ||||
| 601 | E | 33 | Very low | 32.8 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -129.7 | 145.9 | 133.5 | -75 | -162 | 163.6 | 0 | 0 | 109.5 | ||||
| 602 | V | 30.7 | Very low | 32.6 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | trans | -122.8 | 132.2 | -178.2 | 174.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 603 | W | 31.7 | Very low | 32.4 | Very low | 220 Ų | 220 | 144.2 Ų | 144.2 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | trans | -110.5 | 140 | 169.6 | -74.8 | 85.4 | 0 | 0 | 0 | 109.8 | ||||
| 604 | P | 31.9 | Very low | 32.6 | Very low | 107 Ų | 107 | 143 Ų | 143 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 156.6 | -162.5 | 31.4 | -36.6 | 0 | 0 | 0 | 113.8 | ||
| 605 | T | 28.2 | Very low | 32.3 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 145.4 | 167.3 | 40.5 | 0 | 0 | 0 | 0 | 111.8 | ||
| 606 | I | 33.1 | Very low | 32.5 | Very low | 168 Ų | 168 | 146.9 Ų | 146.9 | 86% | 0.862 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 129 | 156.8 | -65.5 | 176.5 | 0 | 0 | 0 | 106.7 | ||
| 607 | E | 29.9 | Very low | 32.2 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 141.3 | -175.9 | -61.7 | 167.4 | 135.3 | 0 | 0 | 111 | ||
| 608 | T | 36.4 | Very low | 32.3 | Very low | 139 Ų | 139 | 147.3 Ų | 147.3 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -139.7 | 139.5 | 157.1 | 51.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 609 | E | 34.1 | Very low | 32.1 | Very low | 170 Ų | 170 | 149.3 Ų | 149.3 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | -88 | 146.9 | -148.2 | -66.8 | 174.9 | 89.7 | 0 | 0 | 116.9 | ||||
| 610 | N | 32.8 | Very low | 31.8 | Very low | 125 Ų | 125 | 156.3 Ų | 156.3 | 67% | 0.668 | 82% | 0.817 | S | S | * | * | trans | 39.2 | 101 | 133.1 | -54.8 | -36.1 | 0 | 0 | 0 | 119.7 | ||||
| 611 | V | 35.2 | Very low | 31.9 | Very low | 152 Ų | 152 | 153.7 Ų | 153.7 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | trans | -131.5 | 133.6 | 130.4 | -176.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 612 | I | 32.3 | Very low | 31.9 | Very low | 161 Ų | 161 | 151.2 Ų | 151.2 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | trans | -107 | 141.5 | -174.2 | -62.4 | 164.6 | 0 | 0 | 0 | 109.3 | ||||
| 613 | G | 30.6 | Very low | 32.2 | Very low | 66 Ų | 66 | 154.3 Ų | 154.3 | 68% | 0.68 | 82% | 0.821 | S | S | * | * | trans | 162.6 | 131.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 614 | A | 33.1 | Very low | 32.3 | Very low | 98 Ų | 98 | 150.3 Ų | 150.3 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | 48.1 | 97.2 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 615 | Q | 30.1 | Very low | 32.5 | Very low | 197 Ų | 197 | 153 Ų | 153 | 92% | 0.921 | 83% | 0.825 | S | S | * | * | trans | -75.4 | 140.3 | 145.8 | -65 | 177.4 | -5.8 | 0 | 0 | 109.5 | ||||
| 616 | S | 34.4 | Very low | 32.8 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -132.4 | 113.2 | 162.7 | -76.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 617 | R | 26.4 | Very low | 32.9 | Very low | 235 Ų | 235 | 152.7 Ų | 152.7 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | -90.6 | 124.1 | 179.2 | 177 | -162.9 | -161.7 | -177.6 | 6.8 | 108.8 | ||||
| 618 | L | 32.9 | Very low | 33 | Very low | 173 Ų | 173 | 154 Ų | 154 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -144.6 | 154.5 | 167.8 | -110.2 | 164.5 | 0 | 0 | 0 | 110.9 | ||||
| 619 | Q | 32.6 | Very low | 32.8 | Very low | 171 Ų | 171 | 156.6 Ų | 156.6 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | trans | -102.5 | 160.4 | -166 | -73.8 | 158.6 | -108.9 | 0 | 0 | 112.1 | ||||
| 620 | Y | 27.7 | Very low | 32.8 | Very low | 237 Ų | 237 | 156.9 Ų | 156.9 | 93% | 0.929 | 82% | 0.816 | S | S | * | * | trans | -67.1 | 142.4 | 167.7 | -80.2 | -101.6 | 0 | 0 | 0 | 111.3 | ||||
| 621 | A | 33.7 | Very low | 32.6 | Very low | 96 Ų | 96 | 156.4 Ų | 156.4 | 79% | 0.793 | 82% | 0.82 | S | S | * | * | trans | -138.8 | 124 | 149.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 622 | P | 32.7 | Very low | 32.6 | Very low | 121 Ų | 121 | 156 Ų | 156 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | trans | -85.5 | 151.6 | 171.8 | 35.1 | -32.5 | 0 | 0 | 0 | 110.3 | ||||
| 623 | Q | 37.3 | Very low | 32.6 | Very low | 188 Ų | 188 | 154.9 Ų | 154.9 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | trans | -151.1 | 121.2 | 162 | -169.5 | 164.4 | -1.7 | 0 | 0 | 109 | ||||
| 624 | D | 32.6 | Very low | 32.8 | Very low | 137 Ų | 137 | 160 Ų | 160 | 73% | 0.733 | 83% | 0.83 | S | S | * | * | trans | -80.4 | 153.7 | 170.1 | -58.2 | -73.4 | 0 | 0 | 0 | 110.2 | ||||
| 625 | D | 37.3 | Very low | 32.9 | Very low | 163 Ų | 163 | 163.7 Ų | 163.7 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | 177.7 | 150.7 | 122.6 | -94.1 | -29.4 | 0 | 0 | 0 | 111.3 | |||||
| 626 | D | 34.5 | Very low | 32.9 | Very low | 143 Ų | 143 | 160.7 Ų | 160.7 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | trans | -75.5 | 143 | -179.6 | -67.9 | -66.5 | 0 | 0 | 0 | 112.8 | ||||
| 627 | N | 34.8 | Very low | 32.8 | Very low | 143 Ų | 143 | 161.1 Ų | 161.1 | 77% | 0.765 | 82% | 0.82 | S | S | * | * | 177.4 | 151.9 | 110.4 | -100.1 | -73.2 | 0 | 0 | 0 | 117 | |||||
| 628 | Y | 32.3 | Very low | 32.9 | Very low | 196 Ų | 196 | 156.9 Ų | 156.9 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | 38.9 | 109.4 | 149.4 | -96.8 | -110.4 | 0 | 0 | 0 | 123.3 | ||||
| 629 | Y | 32.1 | Very low | 32.8 | Very low | 194 Ų | 194 | 156.5 Ų | 156.5 | 76% | 0.761 | 81% | 0.813 | S | S | * | * | 58.2 | 126 | 123.8 | -97.6 | -98.1 | 0 | 0 | 0 | 123.7 | |||||
| 630 | Q | 32.7 | Very low | 32.6 | Very low | 176 Ų | 176 | 152.9 Ų | 152.9 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | 83.2 | 141.7 | 153.2 | -92.2 | 176.2 | 0.1 | 0 | 0 | 120.3 | ||||
| 631 | P | 30.2 | Very low | 32.6 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | trans | -105.2 | 148.5 | -162.7 | 39.3 | -32.7 | 0 | 0 | 0 | 114.4 | ||||
| 632 | T | 35 | Very low | 32.4 | Very low | 144 Ų | 144 | 145.5 Ų | 145.5 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -123.2 | 112.6 | 163.5 | 46.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 633 | T | 30.9 | Very low | 32.4 | Very low | 137 Ų | 137 | 150.9 Ų | 150.9 | 84% | 0.84 | 81% | 0.814 | S | S | * | * | trans | -76.2 | 120.2 | 173.2 | 49.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 634 | L | 35.6 | Very low | 31.9 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -137.3 | 158.4 | 157.8 | -130.3 | 98.6 | 0 | 0 | 0 | 110.3 | ||||
| 635 | Q | 34.5 | Very low | 32.1 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -96.1 | 152.7 | -159.6 | -68.7 | 152.4 | -71.7 | 0 | 0 | 114.6 | ||||
| 636 | L | 29.6 | Very low | 31.9 | Very low | 135 Ų | 135 | 147.2 Ų | 147.2 | 71% | 0.707 | 80% | 0.796 | S | S | * | * | trans | -14 | 153 | 164 | -62.6 | 93.1 | 0 | 0 | 0 | 118.3 | L638 | L636-L638 HydrophobicContact CD2-CD1 4.11Å; L636-L638 HydrophobicContact CD2-CG 3.95Å | ||
| 637 | P | 32.4 | Very low | 31.4 | Very low | 130 Ų | 130 | 151.7 Ų | 151.7 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | -117.6 | 157.8 | 98.4 | 34.4 | -35.1 | 0 | 0 | 0 | 114.1 | |||||
| 638 | L | 29.7 | Very low | 31.2 | Very low | 147 Ų | 147 | 149.8 Ų | 149.8 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -82.5 | 153.2 | 179.3 | -56.7 | 83.8 | 0 | 0 | 0 | 111.3 | L636 | L636-L638 HydrophobicContact CD2-CD1 4.11Å; L636-L638 HydrophobicContact CD2-CG 3.95Å | ||
| 639 | N | 30.4 | Very low | 30.8 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -150.2 | 157.5 | 138.1 | -134.8 | -25 | 0 | 0 | 0 | 114.5 | ||||
| 640 | A | 28.3 | Very low | 30.7 | Very low | 96 Ų | 96 | 149.3 Ų | 149.3 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | trans | -45.5 | 143.1 | -163.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 641 | G | 29 | Very low | 30.6 | Very low | 73 Ų | 73 | 145.5 Ų | 145.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | trans | 176.8 | 11.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 642 | A | 28.7 | Very low | 30.6 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -91.8 | 116.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 643 | Y | 32.3 | Very low | 30.4 | Very low | 235 Ų | 235 | 148.4 Ų | 148.4 | 92% | 0.922 | 79% | 0.789 | S | S | * | * | trans | -89.3 | 106.9 | 164.4 | -71.8 | -81.9 | 0 | 0 | 0 | 109.7 | ||||
| 644 | D | 28.1 | Very low | 30.7 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 63% | 0.626 | 78% | 0.782 | S | S | * | * | trans | -80.3 | 127.4 | 175 | 179.5 | 20.5 | 0 | 0 | 0 | 111.2 | N646 | D644-N646 PolarHBondContact OD1-N 2.91Å; D644-N646 PolarHBondContact OD2-ND2 2.86Å | ||
| 645 | M | 36 | Very low | 30.7 | Very low | 186 Ų | 186 | 143 Ų | 143 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | -126.9 | 52.2 | 168.2 | -91.2 | -68 | -166.4 | 0 | 0 | 111.1 | ||||
| 646 | N | 32.1 | Very low | 30.8 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 58% | 0.578 | 76% | 0.758 | S | S | * | * | trans | 39.3 | 112.7 | 147 | -89.2 | -80.5 | 0 | 0 | 0 | 118.6 | D644 V648 | D644-N646 PolarHBondContact OD1-N 2.91Å; D644-N646 PolarHBondContact OD2-ND2 2.86Å; N646-V648 PolarHBondContact O-N 2.84Å | ||
| 647 | R | 25.9 | Very low | 31.1 | Very low | 237 Ų | 237 | 138.8 Ų | 138.8 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | trans | -18.1 | 119 | 150.7 | -65.2 | 169.6 | 168.5 | -177.3 | -4.5 | 114.4 | ||||
| 648 | V | 29 | Very low | 31.4 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 62% | 0.618 | 75% | 0.748 | S | S | * | * | trans | -119.8 | 96.1 | 148.4 | -171.8 | 0 | 0 | 0 | 0 | 108.1 | N646 Y650 | N646-V648 PolarHBondContact O-N 2.84Å; V648-Y650 HydrophobicContact CB-CE2 4.23Å; V648-Y650 HydrophobicContact CG1-CD2 3.85Å; V648-Y650 HydrophobicContact CG1-CE1 4.12Å; V648-Y650 HydrophobicContact CG1-CE2 3.39Å; V648-Y650 HydrophobicContact CG1-CG 4.39Å; V648-Y650 PolarHBondContact O-N 3.23Å | ||
| 649 | M | 25.5 | Very low | 32 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 90% | 0.901 | 75% | 0.748 | S | S | * | * | trans | -73.9 | 115.1 | 163.1 | -88.1 | -173.7 | 164.2 | 0 | 0 | 108.2 | ||||
| 650 | Y | 29.1 | Very low | 32.4 | Very low | 198 Ų | 198 | 138.7 Ų | 138.7 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | -90.7 | 125.8 | 161.9 | -73.3 | -73.7 | 0 | 0 | 0 | 109.1 | V648 M652 | V648-Y650 HydrophobicContact CB-CE2 4.23Å; V648-Y650 HydrophobicContact CG1-CD2 3.85Å; V648-Y650 HydrophobicContact CG1-CE1 4.12Å; V648-Y650 HydrophobicContact CG1-CE2 3.39Å; V648-Y650 HydrophobicContact CG1-CG 4.39Å; V648-Y650 PolarHBondContact O-N 3.23Å; Y650-M652 PolarHBondContact O-N 2.03Å | ||
| 651 | P | 30.1 | Very low | 32.8 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 62% | 0.617 | 73% | 0.732 | S | S | * | * | trans | -68 | 127.1 | 171.7 | 27.8 | -32.2 | 0 | 0 | 0 | 109.5 | H653 | P651-H653 VanDerWaalsContact C-N 3.33Å; P651-H653 PolarHBondContact O-N 2.88Å | ||
| 652 | M | 30 | Very low | 33.4 | Very low | 191 Ų | 191 | 145.8 Ų | 145.8 | 94% | 0.941 | 74% | 0.736 | S | S | * | * | trans | -67.3 | 91.9 | 167.3 | -83 | -75.3 | -171.8 | 0 | 0 | 109.1 | Y650 A654 | Y650-M652 PolarHBondContact O-N 2.03Å; M652-A654 PolarHBondContact O-N 3.37Å | ||
| 653 | H | 32.4 | Very low | 33.8 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 60% | 0.602 | 72% | 0.722 | S | S | * | * | trans | -63.4 | 127.2 | 170.2 | -82.2 | -95.2 | 0 | 0 | 0 | 109.6 | P651 D655 | P651-H653 VanDerWaalsContact C-N 3.33Å; P651-H653 PolarHBondContact O-N 2.88Å; H653-D655 PolarHBondContact O-N 3.04Å; H653-D655 VanDerWaalsContact O-N 3.08Å | ||
| 654 | A | 35.3 | Very low | 34.4 | Very low | 84 Ų | 84 | 140.9 Ų | 140.9 | 69% | 0.694 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -67 | -12.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | M652 S656 | M652-A654 PolarHBondContact O-N 3.37Å; A654-S656 PolarHBondContact O-N 3.34Å |
| 655 | D | 36.8 | Very low | 35.2 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 59% | 0.594 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -76.7 | -18.7 | -170.4 | -54.6 | -67 | 0 | 0 | 0 | 114.4 | H653 F657 N658 | H653-D655 PolarHBondContact O-N 3.04Å; H653-D655 VanDerWaalsContact O-N 3.08Å; D655-F657 PolarHBondContact O-N 3.28Å; D655-N658 PolarHBondContact O-N 2.96Å |
| 656 | S | 36.2 | Very low | 35.8 | Very low | 90 Ų | 90 | 139 Ų | 139 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -64.8 | -21 | -178.6 | -61.2 | 0 | 0 | 0 | 0 | 114 | A654 N658 | A654-S656 PolarHBondContact O-N 3.34Å; S656-N658 PolarHBondContact O-N 2.75Å |
| 657 | F | 35 | Very low | 36.3 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 59% | 0.588 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -73.1 | -9.6 | 177.8 | -96.8 | -78.9 | 0 | 0 | 0 | 114.5 | D655 Q659 M660 | D655-F657 PolarHBondContact O-N 3.28Å; F657-Q659 VanDerWaalsContact C-N 3.29Å; F657-Q659 PolarHBondContact O-N 3.36Å; F657-M660 HydrophobicContact CD1-CE 4.36Å; F657-M660 HydrophobicContact CD1-SD 4.35Å; F657-M660 HydrophobicContact CE1-CE 4.02Å; F657-M660 HydrophobicContact CE1-SD 4.41Å |
| 658 | N | 39.4 | Very low | 37 | Very low | 142 Ų | 142 | 133.3 Ų | 133.3 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -84.5 | 5.2 | 178.4 | -67.9 | -36.8 | 0 | 0 | 0 | 114 | D655 S656 | D655-N658 PolarHBondContact O-N 2.96Å; S656-N658 PolarHBondContact O-N 2.75Å |
| 659 | Q | 42.4 | Very low | 38.1 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -105.8 | 7.4 | -177.5 | -60.4 | -171.4 | 12.3 | 0 | 0 | 114.6 | F657 | F657-Q659 VanDerWaalsContact C-N 3.29Å; F657-Q659 PolarHBondContact O-N 3.36Å |
| 660 | M | 37.9 | Very low | 38.9 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 64% | 0.635 | 71% | 0.713 | S | S | * | * | trans | -80.6 | 125.9 | 174.6 | -70.4 | -176.4 | 169.9 | 0 | 0 | 111.3 | F657 Y662 | F657-M660 HydrophobicContact CD1-CE 4.36Å; F657-M660 HydrophobicContact CD1-SD 4.35Å; F657-M660 HydrophobicContact CE1-CE 4.02Å; F657-M660 HydrophobicContact CE1-SD 4.41Å; M660-Y662 PolarHBondContact O-N 3.2Å; M660-Y662 VanDerWaalsContact O-N 3.08Å | ||
| 661 | P | 38.3 | Very low | 39.7 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 68% | 0.682 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -74.8 | 2.1 | -170.8 | 29.6 | -36.2 | 0 | 0 | 0 | 115.5 | G663 | P661-G663 VanDerWaalsContact C-N 3.33Å; P661-G663 PolarHBondContact O-N 3.08Å |
| 662 | Y | 40.1 | Very low | 40.3 | Very low | 214 Ų | 214 | 134.5 Ų | 134.5 | 84% | 0.839 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -87.1 | 12.9 | -169.3 | -68.6 | -77.6 | 0 | 0 | 0 | 115.6 | M660 | M660-Y662 PolarHBondContact O-N 3.2Å; M660-Y662 VanDerWaalsContact O-N 3.08Å |
| 663 | G | 37.6 | Very low | 40.8 | Very low | 55 Ų | 55 | 133 Ų | 133 | 57% | 0.567 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -88.5 | -14.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | P661 | P661-G663 VanDerWaalsContact C-N 3.33Å; P661-G663 PolarHBondContact O-N 3.08Å |
| 664 | Q | 45.4 | Very low | 41.1 | Very low | 180 Ų | 180 | 136.4 Ų | 136.4 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -7.9 | -158.7 | -63.5 | -171.7 | 0.6 | 0 | 0 | 116.6 | ||
| 665 | N | 43.9 | Very low | 41 | Very low | 164 Ų | 164 | 138.1 Ų | 138.1 | 88% | 0.877 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.6 | 16.5 | -175 | -70.3 | -20.9 | 0 | 0 | 0 | 114.5 | ||
| 666 | L | 49.4 | Very low | 41 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 52% | 0.524 | 74% | 0.742 | S | S | . | * | P | Polyproline II helix | trans | -84.3 | 125 | 175 | -86.1 | 160.7 | 0 | 0 | 0 | 110.8 | V672 | L666-V672 HydrophobicContact CD1-CG2 4.34Š|
| 667 | P | 43.6 | Very low | 41.1 | Very low | 85 Ų | 85 | 143.1 Ų | 143.1 | 55% | 0.552 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 148.2 | 176.5 | 27.6 | -34.3 | 0 | 0 | 0 | 111.3 | G669 | P667-G669 PolarHBondContact O-N 3.14Š|
| 668 | P | 40.4 | Very low | 41 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | 124.1 | -175.4 | 24.8 | -34.2 | 0 | 0 | 0 | 111.2 | ||
| 669 | G | 52.1 | Low | 40.7 | Very low | 83 Ų | 83 | 145.8 Ų | 145.8 | 86% | 0.856 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 123.9 | -16.3 | 175 | 0 | 0 | 0 | 0 | 0 | 115.8 | P667 | P667-G669 PolarHBondContact O-N 3.14Š|
| 670 | K | 40.7 | Very low | 40.2 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | -102.5 | 113 | 177 | -67.5 | -166.7 | 176.9 | -174.2 | 0 | 112.3 | ||||
| 671 | R | 47.2 | Very low | 39.9 | Very low | 243 Ų | 243 | 147.9 Ų | 147.9 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 142.3 | 165.6 | -68.9 | -174.5 | 177.2 | -169.8 | -0.3 | 109.9 | ||
| 672 | V | 43.2 | Very low | 39.7 | Very low | 113 Ų | 113 | 149 Ų | 149 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 116.8 | 170.1 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | L666 R674 | L666-V672 HydrophobicContact CD1-CG2 4.34Å; V672-R674 PolarHBondContact O-N 3.22Å |
| 673 | N | 39.3 | Very low | 39.3 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 118.3 | 168.1 | -98.2 | -7.6 | 0 | 0 | 0 | 109 | ||
| 674 | R | 38.3 | Very low | 39.2 | Very low | 202 Ų | 202 | 154 Ų | 154 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 122.5 | 172.6 | -109.7 | -178 | -175.6 | 170.3 | 2.6 | 109.2 | V672 | V672-R674 PolarHBondContact O-N 3.22Š|
| 675 | P | 34.2 | Very low | 38.6 | Very low | 119 Ų | 119 | 152.9 Ų | 152.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 145.8 | 166.6 | 29.1 | -33.4 | 0 | 0 | 0 | 109.6 | ||
| 676 | Q | 36.9 | Very low | 38.1 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 140.9 | 175.4 | -72.3 | -153.6 | 17 | 0 | 0 | 111.4 | R678 | Q676-R678 PolarHBondContact O-N 2.91Å; Q676-R678 VanDerWaalsContact O-N 3.16Å |
| 677 | P | 36.9 | Very low | 37.4 | Very low | 125 Ų | 125 | 153.9 Ų | 153.9 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -70.5 | 108.9 | 173.5 | 29.3 | -33.1 | 0 | 0 | 0 | 110.1 | S679 | P677-S679 PolarHBondContact O-N 3.16Š| ||
| 678 | R | 33.9 | Very low | 36.8 | Very low | 221 Ų | 221 | 153.5 Ų | 153.5 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | trans | -70.5 | 127.6 | 170.9 | -74.8 | -174.6 | 173.2 | -176.8 | -1.5 | 110.1 | Q676 F680 | Q676-R678 PolarHBondContact O-N 2.91Å; Q676-R678 VanDerWaalsContact O-N 3.16Å; R678-F680 PolarHBondContact O-N 3.35Å | ||
| 679 | S | 32.6 | Very low | 36.7 | Very low | 112 Ų | 112 | 154.7 Ų | 154.7 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -74.9 | 100.6 | 173 | 39.5 | 0 | 0 | 0 | 0 | 111 | P677 L681 | P677-S679 PolarHBondContact O-N 3.16Å; S679-L681 VanDerWaalsContact C-N 3.33Å; S679-L681 PolarHBondContact O-N 2.95Å | ||
| 680 | F | 32.6 | Very low | 35.8 | Very low | 180 Ų | 180 | 155.4 Ų | 155.4 | 79% | 0.789 | 81% | 0.808 | S | S | * | * | trans | -74.5 | 84 | 171.5 | -89 | -85.8 | 0 | 0 | 0 | 111.4 | R678 V682 | R678-F680 PolarHBondContact O-N 3.35Å; F680-V682 PolarHBondContact O-N 3.5Å; F680-V682 VanDerWaalsContact O-N 3.14Å | ||
| 681 | L | 31.4 | Very low | 35.7 | Very low | 160 Ų | 160 | 156.5 Ų | 156.5 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -71.8 | 94.7 | 159.4 | -97.1 | 167.3 | 0 | 0 | 0 | 109 | S679 K683 | S679-L681 VanDerWaalsContact C-N 3.33Å; S679-L681 PolarHBondContact O-N 2.95Å; L681-K683 PolarHBondContact O-N 3.33Å; L681-K683 VanDerWaalsContact O-N 3.11Å | ||
| 682 | V | 33 | Very low | 35.1 | Very low | 128 Ų | 128 | 153 Ų | 153 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -70.1 | 103.7 | 169.5 | -179 | 0 | 0 | 0 | 0 | 108.3 | F680 | F680-V682 PolarHBondContact O-N 3.5Å; F680-V682 VanDerWaalsContact O-N 3.14Å | ||
| 683 | K | 32.2 | Very low | 34.8 | Very low | 175 Ų | 175 | 152.3 Ų | 152.3 | 76% | 0.761 | 81% | 0.806 | S | S | * | * | trans | -74 | 130 | 163.3 | -83.3 | -175.9 | 170.5 | -177.6 | 0 | 109.1 | L681 N685 | L681-K683 PolarHBondContact O-N 3.33Å; L681-K683 VanDerWaalsContact O-N 3.11Å; K683-N685 PolarHBondContact O-N 3.11Å | ||
| 684 | E | 36.4 | Very low | 34.7 | Very low | 198 Ų | 198 | 151.3 Ų | 151.3 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -64.7 | 120.2 | 159.9 | -87.8 | -177.2 | 120.1 | 0 | 0 | 109.4 | G686 | E684-G686 PolarHBondContact O-N 3.35Š| ||
| 685 | N | 33.4 | Very low | 34.8 | Very low | 157 Ų | 157 | 150 Ų | 150 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | trans | -88.9 | 94.3 | -179.8 | -79.6 | -20.8 | 0 | 0 | 0 | 110.7 | K683 | K683-N685 PolarHBondContact O-N 3.11Š| ||
| 686 | G | 33.3 | Very low | 35.1 | Very low | 75 Ų | 75 | 149.1 Ų | 149.1 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -90 | 101.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E684 | E684-G686 PolarHBondContact O-N 3.35Š| ||
| 687 | K | 34.6 | Very low | 35.1 | Very low | 211 Ų | 211 | 147.9 Ų | 147.9 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | 57.8 | 133.4 | 173.8 | -80.5 | 175.1 | 172.1 | 174.5 | 0 | 116.3 | ||||
| 688 | G | 31.1 | Very low | 35.2 | Very low | 76 Ų | 76 | 146.4 Ų | 146.4 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -96.7 | 174.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 689 | D | 36.9 | Very low | 35.4 | Very low | 166 Ų | 166 | 144 Ų | 144 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -147.7 | 166.3 | 151.5 | -135.6 | -35.4 | 0 | 0 | 0 | 111 | ||||
| 690 | S | 33.5 | Very low | 35.8 | Very low | 99 Ų | 99 | 151.3 Ų | 151.3 | 69% | 0.692 | 82% | 0.822 | S | S | * | * | trans | -89.9 | 134.7 | -159.9 | -55.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 691 | K | 38.2 | Very low | 35.9 | Very low | 186 Ų | 186 | 149.9 Ų | 149.9 | 81% | 0.809 | 82% | 0.824 | S | S | * | * | 173.1 | 152.4 | 122.4 | -94.8 | 159.3 | -174.9 | 176.8 | 0 | 116.1 | |||||
| 692 | Q | 35.7 | Very low | 36.2 | Very low | 170 Ų | 170 | 149.4 Ų | 149.4 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -1.2 | 149.9 | 139.1 | -72.9 | 157.7 | -27.1 | 0 | 0 | 118.6 | ||||
| 693 | S | 37.1 | Very low | 36.4 | Very low | 98 Ų | 98 | 150.6 Ų | 150.6 | 69% | 0.685 | 83% | 0.825 | S | S | * | * | cis | -165.7 | 153.8 | 14.1 | 41.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 694 | L | 36.7 | Very low | 36.6 | Very low | 139 Ų | 139 | 149.1 Ų | 149.1 | 73% | 0.728 | 83% | 0.829 | S | S | * | * | trans | 46.5 | 138.7 | 144.3 | -79.1 | 84.7 | 0 | 0 | 0 | 122.4 | ||||
| 695 | E | 39.8 | Very low | 36.6 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 82% | 0.823 | S | S | * | * | trans | 69.5 | 148.7 | 140.6 | -72.4 | 175.2 | 140.8 | 0 | 0 | 120.1 | ||||
| 696 | S | 40.2 | Very low | 36.8 | Very low | 101 Ų | 101 | 145.3 Ų | 145.3 | 71% | 0.706 | 82% | 0.822 | S | S | * | * | cis | -156.1 | -173.4 | -12.1 | 52.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 697 | N | 36.9 | Very low | 37.1 | Very low | 155 Ų | 155 | 150.4 Ų | 150.4 | 83% | 0.829 | 83% | 0.826 | S | S | * | * | trans | -40.1 | 163.5 | 173.5 | -49.9 | -48.1 | 0 | 0 | 0 | 115 | ||||
| 698 | A | 40.1 | Very low | 37.3 | Very low | 95 Ų | 95 | 145.7 Ų | 145.7 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | cis | -156.3 | -170.3 | 33 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 699 | L | 37.6 | Very low | 37.8 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -75.5 | 151.2 | 178 | -70.2 | 74.6 | 0 | 0 | 0 | 112.9 | ||||
| 700 | E | 41 | Very low | 37.9 | Very low | 267 Ų | 267 | 150.2 Ų | 150.2 | 100% | 1.248 | 82% | 0.815 | S | S | * | * | -134.8 | 0 | 126.9 | -158.4 | 175.8 | 154.9 | 0 | 0 | 108.6 |
Retrieved 700 of 700 residues in 314.1 ms
(Link to these results)