| 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 | 34.6 | Very low | 36.9 | Very low | 250 Ų | 250 | 152.5 Ų | 152.5 | 100% | 1.232 | 81% | 0.807 | S | S | * | * | 0 | 119.8 | 0 | -75.1 | 176.8 | 168.6 | 0 | 0 | 106.7 | |||||
| 2 | E | 30.4 | Very low | 38.4 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 69% | 0.687 | 76% | 0.757 | S | S | * | * | trans | -128.7 | 91.6 | -164.6 | -166.4 | -179.2 | 135.2 | 0 | 0 | 109.8 | K4 | E2-K4 VanDerWaalsContact C-N 3.3Å; E2-K4 PolarHBondContact O-N 3.01Å; E2-K4 VanDerWaalsContact OE1-CE 3.29Å; E2-K4 WeakPolarHBondContact OE1-CE 3.29Å; E2-K4 IonicContact OE1-NZ 3.29Å; E2-K4 PolarHBondContact OE1-NZ 2.66Å | ||
| 3 | S | 33.9 | Very low | 39.4 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -77.8 | 80.5 | 175.9 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 4 | K | 35.4 | Very low | 40.7 | Very low | 164 Ų | 164 | 139.1 Ų | 139.1 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | -61.3 | 145.2 | -179.5 | -107.8 | 175.1 | 172.6 | 121.3 | 0 | 112.4 | E2 N6 | E2-K4 VanDerWaalsContact C-N 3.3Å; E2-K4 PolarHBondContact O-N 3.01Å; E2-K4 VanDerWaalsContact OE1-CE 3.29Å; E2-K4 WeakPolarHBondContact OE1-CE 3.29Å; E2-K4 IonicContact OE1-NZ 3.29Å; E2-K4 PolarHBondContact OE1-NZ 2.66Å; K4-N6 PolarHBondContact O-N 3.49Å | ||
| 5 | D | 31.8 | Very low | 41.9 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | trans | -53.8 | 130.8 | -171.2 | -55.1 | -92 | 0 | 0 | 0 | 113.3 | P7 | D5-P7 VanDerWaalsContact O-CD 3.3Å; D5-P7 WeakPolarHBondContact O-CD 3.3Å | ||
| 6 | N | 31.5 | Very low | 43.2 | Very low | 156 Ų | 156 | 127.3 Ų | 127.3 | 83% | 0.834 | 68% | 0.675 | S | S | * | * | trans | -83.9 | 106.7 | 168.5 | -160.1 | -7.1 | 0 | 0 | 0 | 107.2 | K4 S8 | K4-N6 PolarHBondContact O-N 3.49Å; N6-S8 PolarHBondContact O-N 3.01Å | ||
| 7 | P | 38.7 | Very low | 44.4 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 69% | 0.688 | 67% | 0.666 | S | S | * | * | trans | -64.2 | 122.1 | -168.6 | 25.5 | -34.1 | 0 | 0 | 0 | 110.1 | D5 K9 | D5-P7 VanDerWaalsContact O-CD 3.3Å; D5-P7 WeakPolarHBondContact O-CD 3.3Å; P7-K9 PolarHBondContact O-N 3.17Å | ||
| 8 | S | 37.1 | Very low | 45.8 | Very low | 115 Ų | 115 | 127.2 Ų | 127.2 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | trans | -57 | 113.2 | 179.6 | 54.9 | 0 | 0 | 0 | 0 | 109.7 | N6 | N6-S8 PolarHBondContact O-N 3.01Š| ||
| 9 | K | 43.4 | Very low | 46.9 | Very low | 193 Ų | 193 | 122.4 Ų | 122.4 | 84% | 0.839 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 129.2 | 177.2 | -73.7 | -175.8 | 176.9 | -179.4 | 0 | 108.8 | P7 F11 | P7-K9 PolarHBondContact O-N 3.17Å; K9-F11 PolarHBondContact O-N 3.42Å |
| 10 | P | 44.1 | Very low | 48 | Very low | 101 Ų | 101 | 119.4 Ų | 119.4 | 66% | 0.656 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 139.9 | -176.4 | 24.1 | -33.8 | 0 | 0 | 0 | 109.5 | V12 | P10-V12 PolarHBondContact O-N 3.32Å; P10-V12 VanDerWaalsContact O-N 3.15Å |
| 11 | F | 45.7 | Very low | 49 | Very low | 174 Ų | 174 | 118.1 Ų | 118.1 | 76% | 0.763 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 126.2 | 176.2 | -99.5 | -102.2 | 0 | 0 | 0 | 109.2 | K9 F13 P14 | K9-F11 PolarHBondContact O-N 3.42Å; F11-F13 PolarHBondContact O-N 3.03Å; F11-P14 HydrophobicContact CB-CG 4.36Å; F11-P14 VanDerWaalsContact O-CD 3.26Å; F11-P14 WeakPolarHBondContact O-CD 2.99Å |
| 12 | V | 53.9 | Low | 50.8 | Low | 34 Ų | 34 | 110.1 Ų | 110.1 | 21% | 0.206 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -62.8 | -32.7 | -170.8 | -177.9 | 0 | 0 | 0 | 0 | 111.4 | P10 V15 M16 Q44 L45 | P10-V12 PolarHBondContact O-N 3.32Å; P10-V12 VanDerWaalsContact O-N 3.15Å; V12-V15 PolarHBondContact O-N 3.16Å; V12-M16 HydrophobicContact CG1-CE 3.96Å; V12-M16 VanDerWaalsContact O-CB 3.25Å; V12-M16 WeakPolarHBondContact O-CB 3.26Å; V12-M16 PolarHBondContact O-N 3.31Å; V12-Q44 HydrophobicContact CG1-CB 4.07Å; V12-Q44 HydrophobicContact CG2-CB 4.17Å; V12-L45 HydrophobicContact CG1-CD1 4.45Å |
| 13 | F | 52.4 | Low | 52.5 | Low | 150 Ų | 150 | 104.6 Ų | 104.6 | 66% | 0.658 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -58.4 | -53.1 | -177.6 | -90.3 | -85 | 0 | 0 | 0 | 114.9 | F11 V15 M16 K17 | F11-F13 PolarHBondContact O-N 3.03Å; F13-V15 VanDerWaalsContact C-N 3.34Å; F13-V15 PolarHBondContact O-N 3.44Å; F13-M16 PolarHBondContact O-N 3.37Å; F13-K17 VanDerWaalsContact O-CB 3.24Å; F13-K17 WeakPolarHBondContact O-CB 3.3Å; F13-K17 PolarHBondContact O-N 3.21Å |
| 14 | P | 56.7 | Low | 53.9 | Low | 86 Ų | 86 | 106 Ų | 106 | 56% | 0.558 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -50.8 | -44.6 | 172.7 | -33.1 | 33 | 0 | 0 | 0 | 115.5 | F11 K18 | F11-P14 HydrophobicContact CB-CG 4.36Å; F11-P14 VanDerWaalsContact O-CD 3.26Å; F11-P14 WeakPolarHBondContact O-CD 2.99Å; P14-K18 PolarHBondContact O-N 3.3Å |
| 15 | V | 59.2 | Low | 55.6 | Low | 63 Ų | 63 | 103.6 Ų | 103.6 | 38% | 0.382 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.9 | -48.5 | -179.2 | -176.1 | 0 | 0 | 0 | 0 | 110.1 | V12 F13 K17 K18 T19 Y41 | V12-V15 PolarHBondContact O-N 3.16Å; F13-V15 VanDerWaalsContact C-N 3.34Å; F13-V15 PolarHBondContact O-N 3.44Å; V15-K17 PolarHBondContact O-N 3.2Å; V15-K18 PolarHBondContact O-N 3.34Å; V15-T19 PolarHBondContact O-N 2.71Å; V15-T19 VanDerWaalsContact O-N 3.14Å; V15-T19 PolarHBondContact O-OG1 3.44Å; V15-Y41 HydrophobicContact CG1-CE1 4.19Å |
| 16 | M | 62.4 | Low | 57.4 | Low | 26 Ų | 26 | 101.2 Ų | 101.2 | 13% | 0.128 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 177.7 | -176.8 | 175.4 | -67.5 | 0 | 0 | 111.9 | V12 F13 K18 T19 I20 F37 Y41 L45 | V12-M16 HydrophobicContact CG1-CE 3.96Å; V12-M16 VanDerWaalsContact O-CB 3.25Å; V12-M16 WeakPolarHBondContact O-CB 3.26Å; V12-M16 PolarHBondContact O-N 3.31Å; F13-M16 PolarHBondContact O-N 3.37Å; M16-K18 VanDerWaalsContact C-N 3.33Å; M16-K18 PolarHBondContact O-N 3.23Å; M16-T19 PolarHBondContact O-N 3.15Å; M16-T19 PolarHBondContact O-OG1 3.31Å; M16-I20 HydrophobicContact CG-CD1 3.75Å; M16-I20 HydrophobicContact CG-CG1 4.3Å; M16-I20 WeakPolarHBondContact O-CB 3.37Å; M16-I20 VanDerWaalsContact O-CG1 3.3Å; M16-I20 WeakPolarHBondContact O-CG1 3.47Å; M16-I20 PolarHBondContact O-N 3.1Å; M16-I20 HydrophobicContact SD-CD1 4.42Å; M16-F37 HydrophobicContact CG-CE2 4.45Å; M16-F37 HydrophobicContact CG-CZ 3.88Å; M16-F37 HydrophobicContact SD-CZ 4.48Å; M16-Y41 HydrophobicContact CE-CD1 4.08Å; M16-Y41 HydrophobicContact CE-CG 4.01Å; M16-L45 HydrophobicContact CE-CD1 3.8Å; M16-L45 HydrophobicContact SD-CD1 4.4Å |
| 17 | K | 63.7 | Low | 58.9 | Low | 118 Ų | 118 | 99.9 Ų | 99.9 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -54.7 | -49.2 | 176.3 | 179.2 | -176.7 | 176.8 | -74.6 | 0 | 110.7 | F13 V15 T19 I20 E21 | F13-K17 VanDerWaalsContact O-CB 3.24Å; F13-K17 WeakPolarHBondContact O-CB 3.3Å; F13-K17 PolarHBondContact O-N 3.21Å; V15-K17 PolarHBondContact O-N 3.2Å; K17-T19 PolarHBondContact O-N 3.23Å; K17-I20 WeakPolarHBondContact O-CB 3.44Å; K17-I20 PolarHBondContact O-N 3.01Å; K17-E21 WeakPolarHBondContact CE-OE1 3.18Å; K17-E21 IonicContact NZ-OE1 3.81Å; K17-E21 PolarHBondContact NZ-OE1 2.81Å; K17-E21 IonicContact NZ-OE2 3.7Å; K17-E21 PolarHBondContact NZ-OE2 2.7Å; K17-E21 WeakPolarHBondContact O-CG 3.23Å; K17-E21 PolarHBondContact O-N 3.32Å |
| 18 | K | 69 | Low | 60.2 | Low | 135 Ų | 135 | 103.3 Ų | 103.3 | 59% | 0.587 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.3 | -45.8 | -179.6 | -169.4 | 176.6 | 178.6 | -177.8 | 0 | 111.3 | P14 V15 M16 I20 E21 D22 | P14-K18 PolarHBondContact O-N 3.3Å; V15-K18 PolarHBondContact O-N 3.34Å; M16-K18 VanDerWaalsContact C-N 3.33Å; M16-K18 PolarHBondContact O-N 3.23Å; K18-I20 VanDerWaalsContact C-N 3.29Å; K18-I20 PolarHBondContact O-N 3.04Å; K18-E21 CarbonylContact O-C 3.46Å; K18-E21 WeakPolarHBondContact O-CB 3.4Å; K18-E21 PolarHBondContact O-N 3.09Å; K18-E21 VanDerWaalsContact O-N 3.12Å; K18-D22 VanDerWaalsContact O-CG 3.23Å; K18-D22 PolarHBondContact O-N 3.15Å |
| 19 | T | 68.3 | Low | 61.7 | Low | 36 Ų | 36 | 100.8 Ų | 100.8 | 22% | 0.221 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -70.7 | -19.9 | 176.5 | 42.3 | 0 | 0 | 0 | 0 | 114.9 | V15 M16 K17 L23 Y41 | V15-T19 PolarHBondContact O-N 2.71Å; V15-T19 VanDerWaalsContact O-N 3.14Å; V15-T19 PolarHBondContact O-OG1 3.44Å; M16-T19 PolarHBondContact O-N 3.15Å; M16-T19 PolarHBondContact O-OG1 3.31Å; K17-T19 PolarHBondContact O-N 3.23Å; T19-L23 WeakPolarHBondContact O-CB 3.38Å; T19-L23 PolarHBondContact O-N 3.16Å; T19-Y41 HydrophobicContact CG2-CE2 4.23Å; T19-Y41 WeakPolarHBondContact CG2-OH 3.45Å; T19-Y41 WeakPolarHBondContact OG1-CE2 3.3Å; T19-Y41 PolarHBondContact OG1-OH 2.92Å |
| 20 | I | 67.9 | Low | 63.3 | Low | 61 Ų | 61 | 94.9 Ų | 94.9 | 31% | 0.313 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.8 | -41.8 | 167.9 | -74 | 170.5 | 0 | 0 | 0 | 109.9 | M16 K17 K18 L23 F24 F37 | M16-I20 HydrophobicContact CG-CD1 3.75Å; M16-I20 HydrophobicContact CG-CG1 4.3Å; M16-I20 WeakPolarHBondContact O-CB 3.37Å; M16-I20 VanDerWaalsContact O-CG1 3.3Å; M16-I20 WeakPolarHBondContact O-CG1 3.47Å; M16-I20 PolarHBondContact O-N 3.1Å; M16-I20 HydrophobicContact SD-CD1 4.42Å; K17-I20 WeakPolarHBondContact O-CB 3.44Å; K17-I20 PolarHBondContact O-N 3.01Å; K18-I20 VanDerWaalsContact C-N 3.29Å; K18-I20 PolarHBondContact O-N 3.04Å; I20-L23 WeakPolarHBondContact O-CB 3.25Å; I20-L23 PolarHBondContact O-N 3.03Å; I20-L23 VanDerWaalsContact O-N 3.13Å; I20-F24 HydrophobicContact CG2-CD2 3.62Å; I20-F24 HydrophobicContact CG2-CE2 3.64Å; I20-F24 VanDerWaalsContact O-CD2 3.31Å; I20-F24 WeakPolarHBondContact O-CD2 3.37Å; I20-F24 PolarHBondContact O-N 3.39Å; I20-F37 HydrophobicContact CD1-CZ 3.99Å; I20-F37 HydrophobicContact CG1-CE1 4.49Å; I20-F37 HydrophobicContact CG1-CE2 3.75Å; I20-F37 HydrophobicContact CG1-CZ 3.52Å |
| 21 | E | 69.9 | Low | 64.7 | Low | 94 Ų | 94 | 96.6 Ų | 96.6 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -38.2 | 173.5 | -69 | 171.1 | 140.7 | 0 | 0 | 111.5 | K17 K18 L23 T25 | K17-E21 WeakPolarHBondContact CE-OE1 3.18Å; K17-E21 IonicContact NZ-OE1 3.81Å; K17-E21 PolarHBondContact NZ-OE1 2.81Å; K17-E21 IonicContact NZ-OE2 3.7Å; K17-E21 PolarHBondContact NZ-OE2 2.7Å; K17-E21 WeakPolarHBondContact O-CG 3.23Å; K17-E21 PolarHBondContact O-N 3.32Å; K18-E21 CarbonylContact O-C 3.46Å; K18-E21 WeakPolarHBondContact O-CB 3.4Å; K18-E21 PolarHBondContact O-N 3.09Å; K18-E21 VanDerWaalsContact O-N 3.12Å; E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 2.9Å; E21-T25 WeakPolarHBondContact O-CG2 3.39Å; E21-T25 PolarHBondContact O-N 3.15Å; E21-T25 VanDerWaalsContact O-N 3.14Å; E21-T25 PolarHBondContact O-OG1 2.88Å |
| 22 | D | 70.7 | Confident | 66.1 | Low | 82 Ų | 82 | 93.9 Ų | 93.9 | 44% | 0.439 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69.7 | -21.9 | 171.4 | -58.9 | -33.3 | 0 | 0 | 0 | 112.9 | K18 T25 | K18-D22 VanDerWaalsContact O-CG 3.23Å; K18-D22 PolarHBondContact O-N 3.15Å; D22-T25 WeakPolarHBondContact CA-OG1 3.2Å; D22-T25 PolarHBondContact O-OG1 3.29Å |
| 23 | L | 67.7 | Low | 67.1 | Low | 30 Ų | 30 | 93.8 Ų | 93.8 | 16% | 0.157 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -79.8 | -45.6 | 173.5 | -137.6 | 80.7 | 0 | 0 | 0 | 111.2 | T19 I20 E21 T25 K26 I29 D33 F37 | T19-L23 WeakPolarHBondContact O-CB 3.38Å; T19-L23 PolarHBondContact O-N 3.16Å; I20-L23 WeakPolarHBondContact O-CB 3.25Å; I20-L23 PolarHBondContact O-N 3.03Å; I20-L23 VanDerWaalsContact O-N 3.13Å; E21-L23 VanDerWaalsContact C-N 3.3Å; E21-L23 PolarHBondContact O-N 2.9Å; L23-T25 VanDerWaalsContact C-N 3.28Å; L23-T25 PolarHBondContact O-N 3.28Å; L23-K26 WeakPolarHBondContact O-CB 3.24Å; L23-K26 PolarHBondContact O-N 3.46Å; L23-I29 HydrophobicContact CD2-CG2 4.27Å; L23-I29 WeakPolarHBondContact O-CG1 3.48Å; L23-D33 HydrophobicContact CD1-CB 4.42Å; L23-F37 HydrophobicContact CD1-CB 4.27Å; L23-F37 HydrophobicContact CD1-CD2 4.44Å; L23-F37 HydrophobicContact CD2-CB 4.42Å; L23-F37 HydrophobicContact CD2-CG 4.47Å |
| 24 | F | 63.4 | Low | 67.9 | Low | 153 Ų | 153 | 90.1 Ų | 90.1 | 67% | 0.671 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -75.1 | -12.1 | -178.7 | -78.5 | -62.6 | 0 | 0 | 0 | 114.3 | I20 K26 I29 | I20-F24 HydrophobicContact CG2-CD2 3.62Å; I20-F24 HydrophobicContact CG2-CE2 3.64Å; I20-F24 VanDerWaalsContact O-CD2 3.31Å; I20-F24 WeakPolarHBondContact O-CD2 3.37Å; I20-F24 PolarHBondContact O-N 3.39Å; F24-K26 VanDerWaalsContact C-N 3.33Å; F24-I29 HydrophobicContact CD1-CD1 3.73Å; F24-I29 HydrophobicContact CE1-CD1 3.9Å; F24-I29 HydrophobicContact CG-CD1 4.49Å |
| 25 | T | 71 | Confident | 68.5 | Low | 114 Ų | 114 | 89.2 Ų | 89.2 | 70% | 0.699 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9 | 169.8 | 41.4 | 0 | 0 | 0 | 0 | 113.4 | E21 D22 L23 | E21-T25 WeakPolarHBondContact O-CG2 3.39Å; E21-T25 PolarHBondContact O-N 3.15Å; E21-T25 VanDerWaalsContact O-N 3.14Å; E21-T25 PolarHBondContact O-OG1 2.88Å; D22-T25 WeakPolarHBondContact CA-OG1 3.2Å; D22-T25 PolarHBondContact O-OG1 3.29Å; L23-T25 VanDerWaalsContact C-N 3.28Å; L23-T25 PolarHBondContact O-N 3.28Å |
| 26 | K | 68.4 | Low | 69.1 | Low | 98 Ų | 98 | 89.1 Ų | 89.1 | 43% | 0.426 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -75.9 | 128 | 169.7 | -68.8 | 176.7 | 171.5 | 175.4 | 0 | 110.6 | L23 F24 K28 D33 | L23-K26 WeakPolarHBondContact O-CB 3.24Å; L23-K26 PolarHBondContact O-N 3.46Å; F24-K26 VanDerWaalsContact C-N 3.33Å; K26-K28 PolarHBondContact O-N 3.47Å; K26-K28 VanDerWaalsContact O-N 3.16Å; K26-D33 IonicContact NZ-OD1 3.87Å; K26-D33 PolarHBondContact NZ-OD1 3.14Å |
| 27 | S | 63.1 | Low | 69.6 | Low | 128 Ų | 128 | 89.9 Ų | 89.9 | 90% | 0.895 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -62 | -24 | -175.5 | 56 | 0 | 0 | 0 | 0 | 115 | ||
| 28 | K | 65.3 | Low | 69.7 | Low | 178 Ų | 178 | 86.1 Ų | 86.1 | 77% | 0.774 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -140.2 | 126.7 | 161 | -71.3 | -174 | 177.8 | 178.5 | 0 | 108.8 | K26 | K26-K28 PolarHBondContact O-N 3.47Å; K26-K28 VanDerWaalsContact O-N 3.16Å |
| 29 | I | 70.1 | Confident | 69.7 | Low | 62 Ų | 62 | 84.8 Ų | 84.8 | 32% | 0.318 | 44% | 0.443 | S | S | . | . | trans | -81.3 | 122.7 | 170.5 | -62 | 172.9 | 0 | 0 | 0 | 107.7 | L23 F24 D33 I34 | L23-I29 HydrophobicContact CD2-CG2 4.27Å; L23-I29 WeakPolarHBondContact O-CG1 3.48Å; F24-I29 HydrophobicContact CD1-CD1 3.73Å; F24-I29 HydrophobicContact CE1-CD1 3.9Å; F24-I29 HydrophobicContact CG-CD1 4.49Å; I29-D33 HydrophobicContact CG2-CB 4.17Å; I29-I34 HydrophobicContact CG2-CD1 3.88Å; I29-I34 HydrophobicContact CG2-CG1 3.54Å | ||
| 30 | T | 77.4 | Confident | 69.7 | Low | 69 Ų | 69 | 90.4 Ų | 90.4 | 42% | 0.423 | 47% | 0.465 | S | S | . | . | trans | -90.4 | 162.8 | 176 | 72.7 | 0 | 0 | 0 | 0 | 111.7 | N32 D33 I34 | T30-N32 PolarHBondContact O-N 2.9Å; T30-N32 PolarHBondContact OG1-N 2.88Å; T30-D33 VanDerWaalsContact CB-OD2 3.31Å; T30-D33 WeakPolarHBondContact CB-OD2 3.26Å; T30-D33 PolarHBondContact N-OD2 3.25Å; T30-D33 WeakPolarHBondContact O-CB 3.44Å; T30-D33 PolarHBondContact O-N 3.39Å; T30-D33 VanDerWaalsContact O-N 3.12Å; T30-D33 PolarHBondContact OG1-N 3.18Å; T30-D33 PolarHBondContact OG1-OD2 3.45Å; T30-I34 PolarHBondContact O-N 2.79Å | ||
| 31 | K | 72.4 | Confident | 69.5 | Low | 137 Ų | 137 | 88.5 Ų | 88.5 | 60% | 0.596 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -54.3 | -40.9 | 172.8 | -178 | 176.4 | 174.3 | -73.4 | 0 | 111.5 | D33 I34 E35 | K31-D33 PolarHBondContact O-N 3.39Å; K31-I34 PolarHBondContact O-N 2.91Å; K31-E35 WeakPolarHBondContact CE-OE1 2.94Å; K31-E35 IonicContact NZ-OE1 2.89Å; K31-E35 PolarHBondContact NZ-OE1 3.23Å; K31-E35 IonicContact NZ-OE2 3.83Å; K31-E35 PolarHBondContact NZ-OE2 3.32Å; K31-E35 PolarHBondContact O-N 3.2Å |
| 32 | N | 75.7 | Confident | 69.3 | Low | 117 Ų | 117 | 85 Ų | 85 | 63% | 0.626 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -68 | -32.9 | 179.6 | -62 | 20.1 | 0 | 0 | 0 | 112.4 | T30 I34 A36 | T30-N32 PolarHBondContact O-N 2.9Å; T30-N32 PolarHBondContact OG1-N 2.88Å; N32-I34 VanDerWaalsContact C-N 3.32Å; N32-A36 WeakPolarHBondContact O-CB 3.26Å; N32-A36 PolarHBondContact O-N 3.36Å |
| 33 | D | 74.3 | Confident | 68.8 | Low | 32 Ų | 32 | 87.2 Ų | 87.2 | 17% | 0.171 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 172.5 | -66.1 | -70.3 | 0 | 0 | 0 | 111.4 | L23 K26 I29 T30 K31 F37 | L23-D33 HydrophobicContact CD1-CB 4.42Å; K26-D33 IonicContact NZ-OD1 3.87Å; K26-D33 PolarHBondContact NZ-OD1 3.14Å; I29-D33 HydrophobicContact CG2-CB 4.17Å; T30-D33 VanDerWaalsContact CB-OD2 3.31Å; T30-D33 WeakPolarHBondContact CB-OD2 3.26Å; T30-D33 PolarHBondContact N-OD2 3.25Å; T30-D33 WeakPolarHBondContact O-CB 3.44Å; T30-D33 PolarHBondContact O-N 3.39Å; T30-D33 VanDerWaalsContact O-N 3.12Å; T30-D33 PolarHBondContact OG1-N 3.18Å; T30-D33 PolarHBondContact OG1-OD2 3.45Å; K31-D33 PolarHBondContact O-N 3.39Å; D33-F37 VanDerWaalsContact O-CB 3.25Å; D33-F37 WeakPolarHBondContact O-CB 3.06Å; D33-F37 PolarHBondContact O-N 3.29Å |
| 34 | I | 68.7 | Low | 68.5 | Low | 74 Ų | 74 | 91.1 Ų | 91.1 | 38% | 0.379 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.2 | -45.4 | 178.7 | -61.6 | 170.7 | 0 | 0 | 0 | 110.4 | I29 T30 K31 N32 F37 Q38 | I29-I34 HydrophobicContact CG2-CD1 3.88Å; I29-I34 HydrophobicContact CG2-CG1 3.54Å; T30-I34 PolarHBondContact O-N 2.79Å; K31-I34 PolarHBondContact O-N 2.91Å; N32-I34 VanDerWaalsContact C-N 3.32Å; I34-F37 PolarHBondContact O-N 2.65Å; I34-Q38 HydrophobicContact CG2-CG 4.42Å; I34-Q38 VanDerWaalsContact O-CB 3.24Å; I34-Q38 WeakPolarHBondContact O-CB 3.16Å; I34-Q38 VanDerWaalsContact O-CG 3.3Å; I34-Q38 WeakPolarHBondContact O-CG 3.27Å; I34-Q38 PolarHBondContact O-N 3.41Å |
| 35 | E | 69.6 | Low | 68.3 | Low | 66 Ų | 66 | 88 Ų | 88 | 31% | 0.308 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.5 | -43.5 | 179.2 | -72.3 | 176 | 145.4 | 0 | 0 | 111.7 | K31 F37 Q38 D39 | K31-E35 WeakPolarHBondContact CE-OE1 2.94Å; K31-E35 IonicContact NZ-OE1 2.89Å; K31-E35 PolarHBondContact NZ-OE1 3.23Å; K31-E35 IonicContact NZ-OE2 3.83Å; K31-E35 PolarHBondContact NZ-OE2 3.32Å; K31-E35 PolarHBondContact O-N 3.2Å; E35-F37 VanDerWaalsContact C-N 3.34Å; E35-F37 PolarHBondContact O-N 2.89Å; E35-Q38 WeakPolarHBondContact O-CB 3.35Å; E35-Q38 PolarHBondContact O-N 3.24Å; E35-D39 PolarHBondContact O-N 3Å |
| 36 | A | 72.6 | Confident | 67.8 | Low | 62 Ų | 62 | 85.9 Ų | 85.9 | 51% | 0.512 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67 | -31.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N32 K40 | N32-A36 WeakPolarHBondContact O-CB 3.26Å; N32-A36 PolarHBondContact O-N 3.36Å; A36-K40 WeakPolarHBondContact O-CB 3.35Å; A36-K40 PolarHBondContact O-N 3.42Å |
| 37 | F | 72.2 | Confident | 67.6 | Low | 42 Ų | 42 | 86.4 Ų | 86.4 | 18% | 0.184 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -68.6 | -45.5 | 169.6 | 174.4 | -89.1 | 0 | 0 | 0 | 111.2 | M16 I20 L23 D33 I34 E35 K40 Y41 | M16-F37 HydrophobicContact CG-CE2 4.45Å; M16-F37 HydrophobicContact CG-CZ 3.88Å; M16-F37 HydrophobicContact SD-CZ 4.48Å; I20-F37 HydrophobicContact CD1-CZ 3.99Å; I20-F37 HydrophobicContact CG1-CE1 4.49Å; I20-F37 HydrophobicContact CG1-CE2 3.75Å; I20-F37 HydrophobicContact CG1-CZ 3.52Å; L23-F37 HydrophobicContact CD1-CB 4.27Å; L23-F37 HydrophobicContact CD1-CD2 4.44Å; L23-F37 HydrophobicContact CD2-CB 4.42Å; L23-F37 HydrophobicContact CD2-CG 4.47Å; D33-F37 VanDerWaalsContact O-CB 3.25Å; D33-F37 WeakPolarHBondContact O-CB 3.06Å; D33-F37 PolarHBondContact O-N 3.29Å; I34-F37 PolarHBondContact O-N 2.65Å; E35-F37 VanDerWaalsContact C-N 3.34Å; E35-F37 PolarHBondContact O-N 2.89Å; F37-K40 PolarHBondContact O-N 3.27Å; F37-Y41 AromaticContact CD2-CD2 3.66Å; F37-Y41 HydrophobicContact CD2-CD2 3.66Å; F37-Y41 AromaticContact CD2-CE2 3.85Å; F37-Y41 HydrophobicContact CD2-CE2 3.85Å; F37-Y41 HydrophobicContact CE1-CD2 4.49Å; F37-Y41 AromaticContact CE2-CD2 3.53Å; F37-Y41 HydrophobicContact CE2-CD2 3.53Å; F37-Y41 AromaticContact CE2-CE2 3.72Å; F37-Y41 HydrophobicContact CE2-CE2 3.72Å; F37-Y41 HydrophobicContact CG-CD2 4.2Å; F37-Y41 AromaticContact CZ-CD2 3.97Å; F37-Y41 HydrophobicContact CZ-CD2 3.97Å; F37-Y41 WeakPolarHBondContact O-CD2 3.46Å; F37-Y41 PolarHBondContact O-N 2.9Å |
| 38 | Q | 66.5 | Low | 67.7 | Low | 39 Ų | 39 | 86.1 Ų | 86.1 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.7 | -56.5 | -179.6 | -88.8 | 177.4 | 7.6 | 0 | 0 | 112.2 | I34 E35 K40 Y41 W42 | I34-Q38 HydrophobicContact CG2-CG 4.42Å; I34-Q38 VanDerWaalsContact O-CB 3.24Å; I34-Q38 WeakPolarHBondContact O-CB 3.16Å; I34-Q38 VanDerWaalsContact O-CG 3.3Å; I34-Q38 WeakPolarHBondContact O-CG 3.27Å; I34-Q38 PolarHBondContact O-N 3.41Å; E35-Q38 WeakPolarHBondContact O-CB 3.35Å; E35-Q38 PolarHBondContact O-N 3.24Å; Q38-K40 VanDerWaalsContact C-N 3.27Å; Q38-K40 PolarHBondContact O-N 3.27Å; Q38-Y41 PolarHBondContact O-N 2.91Å; Q38-W42 HydrophobicContact CB-CD2 4.32Å; Q38-W42 HydrophobicContact CB-CE3 3.59Å; Q38-W42 HydrophobicContact CB-CH2 4.15Å; Q38-W42 HydrophobicContact CB-CZ3 3.49Å; Q38-W42 VanDerWaalsContact CB-CZ3 3.49Å; Q38-W42 VanDerWaalsContact CD-CH2 3.42Å; Q38-W42 HydrophobicContact CG-CE3 4.08Å; Q38-W42 HydrophobicContact CG-CH2 3.83Å; Q38-W42 HydrophobicContact CG-CZ2 4.3Å; Q38-W42 HydrophobicContact CG-CZ3 3.71Å; Q38-W42 WeakPolarHBondContact O-CB 3.24Å; Q38-W42 PolarHBondContact O-N 3.39Å; Q38-W42 VanDerWaalsContact OE1-CH2 3.26Å; Q38-W42 VanDerWaalsContact OE1-CZ3 3.28Å |
| 39 | D | 67.8 | Low | 67.8 | Low | 107 Ų | 107 | 79.6 Ų | 79.6 | 57% | 0.572 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.2 | -38.1 | -178.4 | -71.9 | -16.8 | 0 | 0 | 0 | 111.8 | E35 Y41 | E35-D39 PolarHBondContact O-N 3Å; D39-Y41 VanDerWaalsContact C-N 3.31Å; D39-Y41 PolarHBondContact O-N 3.16Å |
| 40 | K | 68.9 | Low | 67.6 | Low | 154 Ų | 154 | 77.4 Ų | 77.4 | 67% | 0.67 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -71.6 | -22 | -177.8 | -165.9 | 172.2 | -170.7 | 175.8 | 0 | 114 | A36 F37 Q38 | A36-K40 WeakPolarHBondContact O-CB 3.35Å; A36-K40 PolarHBondContact O-N 3.42Å; F37-K40 PolarHBondContact O-N 3.27Å; Q38-K40 VanDerWaalsContact C-N 3.27Å; Q38-K40 PolarHBondContact O-N 3.27Å |
| 41 | Y | 64.8 | Low | 67.4 | Low | 20 Ų | 20 | 79.2 Ų | 79.2 | 8% | 0.078 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -119.3 | -18.3 | -174.1 | -76.6 | -63.2 | 0 | 0 | 0 | 115.6 | V15 M16 T19 F37 Q38 D39 E43 Q44 L45 | V15-Y41 HydrophobicContact CG1-CE1 4.19Å; M16-Y41 HydrophobicContact CE-CD1 4.08Å; M16-Y41 HydrophobicContact CE-CG 4.01Å; T19-Y41 HydrophobicContact CG2-CE2 4.23Å; T19-Y41 WeakPolarHBondContact CG2-OH 3.45Å; T19-Y41 WeakPolarHBondContact OG1-CE2 3.3Å; T19-Y41 PolarHBondContact OG1-OH 2.92Å; F37-Y41 AromaticContact CD2-CD2 3.66Å; F37-Y41 HydrophobicContact CD2-CD2 3.66Å; F37-Y41 AromaticContact CD2-CE2 3.85Å; F37-Y41 HydrophobicContact CD2-CE2 3.85Å; F37-Y41 HydrophobicContact CE1-CD2 4.49Å; F37-Y41 AromaticContact CE2-CD2 3.53Å; F37-Y41 HydrophobicContact CE2-CD2 3.53Å; F37-Y41 AromaticContact CE2-CE2 3.72Å; F37-Y41 HydrophobicContact CE2-CE2 3.72Å; F37-Y41 HydrophobicContact CG-CD2 4.2Å; F37-Y41 AromaticContact CZ-CD2 3.97Å; F37-Y41 HydrophobicContact CZ-CD2 3.97Å; F37-Y41 WeakPolarHBondContact O-CD2 3.46Å; F37-Y41 PolarHBondContact O-N 2.9Å; Q38-Y41 PolarHBondContact O-N 2.91Å; D39-Y41 VanDerWaalsContact C-N 3.31Å; D39-Y41 PolarHBondContact O-N 3.16Å; Y41-E43 PolarHBondContact O-N 2.85Å; Y41-Q44 PolarHBondContact O-N 3.43Å; Y41-L45 PolarHBondContact O-N 3.39Å |
| 42 | W | 65.6 | Low | 67.4 | Low | 21 Ų | 21 | 74.9 Ų | 74.9 | 8% | 0.08 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | -178.1 | -104.6 | -40.5 | 0 | 0 | 0 | 113.3 | Q38 Q44 L45 F49 L53 R63 L67 | Q38-W42 HydrophobicContact CB-CD2 4.32Å; Q38-W42 HydrophobicContact CB-CE3 3.59Å; Q38-W42 HydrophobicContact CB-CH2 4.15Å; Q38-W42 HydrophobicContact CB-CZ3 3.49Å; Q38-W42 VanDerWaalsContact CB-CZ3 3.49Å; Q38-W42 VanDerWaalsContact CD-CH2 3.42Å; Q38-W42 HydrophobicContact CG-CE3 4.08Å; Q38-W42 HydrophobicContact CG-CH2 3.83Å; Q38-W42 HydrophobicContact CG-CZ2 4.3Å; Q38-W42 HydrophobicContact CG-CZ3 3.71Å; Q38-W42 WeakPolarHBondContact O-CB 3.24Å; Q38-W42 PolarHBondContact O-N 3.39Å; Q38-W42 VanDerWaalsContact OE1-CH2 3.26Å; Q38-W42 VanDerWaalsContact OE1-CZ3 3.28Å; W42-Q44 PolarHBondContact O-N 3.45Å; W42-L45 PolarHBondContact O-N 3.19Å; W42-L45 VanDerWaalsContact O-N 3.15Å; W42-F49 AromaticContact CD1-CD1 3.42Å; W42-F49 VanDerWaalsContact CD1-CD1 3.42Å; W42-F49 AromaticContact CD1-CE1 3.56Å; W42-F49 HydrophobicContact CG-CD1 4.06Å; W42-F49 HydrophobicContact CG-CE1 4.44Å; W42-F49 AromaticContact NE1-CD1 3.75Å; W42-F49 AromaticContact NE1-CE1 3.37Å; W42-L53 HydrophobicContact CD2-CD1 3.43Å; W42-L53 VanDerWaalsContact CD2-CD1 3.43Å; W42-L53 HydrophobicContact CE3-CD1 3.61Å; W42-L53 HydrophobicContact CG-CD1 3.88Å; W42-L53 HydrophobicContact CH2-CD1 4.08Å; W42-L53 HydrophobicContact CH2-CD2 3.97Å; W42-L53 HydrophobicContact CZ2-CD1 3.88Å; W42-L53 HydrophobicContact CZ2-CD2 4.07Å; W42-L53 HydrophobicContact CZ3-CD1 3.93Å; W42-L53 HydrophobicContact CZ3-CD2 4.35Å; W42-R63 HydrophobicContact CH2-CB 4.33Å; W42-L67 HydrophobicContact CH2-CD1 4.39Å; W42-L67 HydrophobicContact CZ2-CD1 3.76Å; W42-L67 HydrophobicContact CZ2-CD2 3.85Å; W42-L67 HydrophobicContact CZ2-CG 3.91Å |
| 43 | E | 58.8 | Low | 67.2 | Low | 128 Ų | 128 | 69.7 Ų | 69.7 | 60% | 0.598 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -70.7 | -15.8 | -179.6 | -65.5 | -168.7 | 170.7 | 0 | 0 | 113.6 | Y41 S50 | Y41-E43 PolarHBondContact O-N 2.85Å; E43-S50 WeakPolarHBondContact OE1-CB 3.18Å; E43-S50 PolarHBondContact OE1-OG 3.44Å |
| 44 | Q | 62.5 | Low | 67.1 | Low | 112 Ų | 112 | 74 Ų | 74 | 52% | 0.523 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -85 | -23.1 | 172.3 | -64.6 | -167.5 | -0.9 | 0 | 0 | 113.1 | V12 Y41 W42 | V12-Q44 HydrophobicContact CG1-CB 4.07Å; V12-Q44 HydrophobicContact CG2-CB 4.17Å; Y41-Q44 PolarHBondContact O-N 3.43Å; W42-Q44 PolarHBondContact O-N 3.45Å |
| 45 | L | 58.3 | Low | 67.4 | Low | 89 Ų | 89 | 75.5 Ų | 75.5 | 47% | 0.466 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -80.7 | -42.3 | -172.2 | -154.1 | 76 | 0 | 0 | 0 | 112.4 | V12 M16 Y41 W42 | V12-L45 HydrophobicContact CG1-CD1 4.45Å; M16-L45 HydrophobicContact CE-CD1 3.8Å; M16-L45 HydrophobicContact SD-CD1 4.4Å; Y41-L45 PolarHBondContact O-N 3.39Å; W42-L45 PolarHBondContact O-N 3.19Å; W42-L45 VanDerWaalsContact O-N 3.15Å |
| 46 | V | 60.6 | Low | 67.6 | Low | 68 Ų | 68 | 75 Ų | 75 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -146.6 | 130.4 | 176.9 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | F49 | V46-F49 HydrophobicContact CB-CB 4.09Å; V46-F49 HydrophobicContact CB-CD2 3.92Å; V46-F49 HydrophobicContact CB-CG 4.3Å; V46-F49 HydrophobicContact CG1-CD2 4.24Å; V46-F49 HydrophobicContact CG2-CD2 4.33Å; V46-F49 VanDerWaalsContact O-CB 3.3Å; V46-F49 WeakPolarHBondContact O-CB 3.2Å; V46-F49 PolarHBondContact O-N 3.01Å |
| 47 | P | 64.3 | Low | 67.8 | Low | 109 Ų | 109 | 74.9 Ų | 74.9 | 71% | 0.708 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 142 | 172.8 | -24.9 | 34.9 | 0 | 0 | 0 | 112.1 | F49 | P47-F49 PolarHBondContact O-N 2.91Š|
| 48 | N | 64.4 | Low | 68.3 | Low | 123 Ų | 123 | 79.6 Ų | 79.6 | 66% | 0.658 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.1 | 8.1 | -178.9 | -50.7 | -19.1 | 0 | 0 | 0 | 116.2 | S50 Q51 A52 | N48-S50 VanDerWaalsContact C-N 3.25Å; N48-S50 PolarHBondContact O-N 3.29Å; N48-Q51 PolarHBondContact O-N 2.88Å; N48-Q51 PolarHBondContact O-OE1 3.15Å; N48-A52 PolarHBondContact O-N 2.85Å; N48-A52 VanDerWaalsContact O-N 3.16Å |
| 49 | F | 67.7 | Low | 68.9 | Low | 41 Ų | 41 | 84.4 Ų | 84.4 | 18% | 0.18 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -64 | -30.6 | -179.7 | -154.4 | -97.2 | 0 | 0 | 0 | 112.9 | W42 V46 P47 A52 L53 I70 | W42-F49 AromaticContact CD1-CD1 3.42Å; W42-F49 VanDerWaalsContact CD1-CD1 3.42Å; W42-F49 AromaticContact CD1-CE1 3.56Å; W42-F49 HydrophobicContact CG-CD1 4.06Å; W42-F49 HydrophobicContact CG-CE1 4.44Å; W42-F49 AromaticContact NE1-CD1 3.75Å; W42-F49 AromaticContact NE1-CE1 3.37Å; V46-F49 HydrophobicContact CB-CB 4.09Å; V46-F49 HydrophobicContact CB-CD2 3.92Å; V46-F49 HydrophobicContact CB-CG 4.3Å; V46-F49 HydrophobicContact CG1-CD2 4.24Å; V46-F49 HydrophobicContact CG2-CD2 4.33Å; V46-F49 VanDerWaalsContact O-CB 3.3Å; V46-F49 WeakPolarHBondContact O-CB 3.2Å; V46-F49 PolarHBondContact O-N 3.01Å; P47-F49 PolarHBondContact O-N 2.91Å; F49-A52 PolarHBondContact O-N 3.35Å; F49-L53 HydrophobicContact CD1-CD1 3.56Å; F49-L53 HydrophobicContact CD1-CG 4.26Å; F49-L53 HydrophobicContact CE1-CD1 3.74Å; F49-L53 HydrophobicContact CE1-CG 4.18Å; F49-L53 WeakPolarHBondContact O-CB 3.13Å; F49-L53 PolarHBondContact O-N 3.19Å; F49-I70 HydrophobicContact CE2-CD1 4.03Å; F49-I70 HydrophobicContact CZ-CD1 3.61Å |
| 50 | S | 66.7 | Low | 69.5 | Low | 15 Ų | 15 | 82.3 Ų | 82.3 | 11% | 0.105 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 173.3 | 175.2 | 0 | 0 | 0 | 0 | 112.9 | E43 N48 K54 | E43-S50 WeakPolarHBondContact OE1-CB 3.18Å; E43-S50 PolarHBondContact OE1-OG 3.44Å; N48-S50 VanDerWaalsContact C-N 3.25Å; N48-S50 PolarHBondContact O-N 3.29Å; S50-K54 WeakPolarHBondContact O-CG 3.26Å; S50-K54 PolarHBondContact O-N 3Å; S50-K54 VanDerWaalsContact O-N 3.09Å |
| 51 | Q | 73.5 | Confident | 69.8 | Low | 108 Ų | 108 | 77.5 Ų | 77.5 | 51% | 0.505 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | 173.1 | -71.5 | 78.4 | 1.5 | 0 | 0 | 111.7 | N48 K54 L55 | N48-Q51 PolarHBondContact O-N 2.88Å; N48-Q51 PolarHBondContact O-OE1 3.15Å; Q51-K54 PolarHBondContact O-N 2.97Å; Q51-L55 PolarHBondContact O-N 3.46Å |
| 52 | A | 72 | Confident | 70.3 | Confident | 45 Ų | 45 | 79.6 Ų | 79.6 | 37% | 0.372 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | N48 F49 L55 L56 | N48-A52 PolarHBondContact O-N 2.85Å; N48-A52 VanDerWaalsContact O-N 3.16Å; F49-A52 PolarHBondContact O-N 3.35Å; A52-L55 PolarHBondContact O-N 3.26Å; A52-L56 WeakPolarHBondContact O-CD1 3.38Å; A52-L56 WeakPolarHBondContact O-CG 3.28Å; A52-L56 PolarHBondContact O-N 3.18Å |
| 53 | L | 70.9 | Confident | 70.7 | Confident | 9 Ų | 9 | 82.3 Ų | 82.3 | 5% | 0.047 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -58 | -47.2 | 172.5 | -91.5 | 154.8 | 0 | 0 | 0 | 112 | W42 F49 L55 L56 D57 R63 | W42-L53 HydrophobicContact CD2-CD1 3.43Å; W42-L53 VanDerWaalsContact CD2-CD1 3.43Å; W42-L53 HydrophobicContact CE3-CD1 3.61Å; W42-L53 HydrophobicContact CG-CD1 3.88Å; W42-L53 HydrophobicContact CH2-CD1 4.08Å; W42-L53 HydrophobicContact CH2-CD2 3.97Å; W42-L53 HydrophobicContact CZ2-CD1 3.88Å; W42-L53 HydrophobicContact CZ2-CD2 4.07Å; W42-L53 HydrophobicContact CZ3-CD1 3.93Å; W42-L53 HydrophobicContact CZ3-CD2 4.35Å; F49-L53 HydrophobicContact CD1-CD1 3.56Å; F49-L53 HydrophobicContact CD1-CG 4.26Å; F49-L53 HydrophobicContact CE1-CD1 3.74Å; F49-L53 HydrophobicContact CE1-CG 4.18Å; F49-L53 WeakPolarHBondContact O-CB 3.13Å; F49-L53 PolarHBondContact O-N 3.19Å; L53-L55 VanDerWaalsContact C-N 3.32Å; L53-L55 PolarHBondContact O-N 3.5Å; L53-L56 CarbonylContact O-C 3.59Å; L53-L56 PolarHBondContact O-N 3.12Å; L53-D57 VanDerWaalsContact O-CG 3.27Å; L53-D57 PolarHBondContact O-N 3.14Å; L53-R63 HydrophobicContact CD2-CB 4.16Å; L53-R63 HydrophobicContact CD2-CG 3.68Å |
| 54 | K | 73.5 | Confident | 71.4 | Confident | 121 Ų | 121 | 82 Ų | 82 | 53% | 0.526 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.7 | -37.5 | 178.1 | -73.6 | 168.2 | -177.7 | 166.4 | 0 | 112.6 | S50 Q51 I58 | S50-K54 WeakPolarHBondContact O-CG 3.26Å; S50-K54 PolarHBondContact O-N 3Å; S50-K54 VanDerWaalsContact O-N 3.09Å; Q51-K54 PolarHBondContact O-N 2.97Å; K54-I58 WeakPolarHBondContact O-CD1 3.44Å; K54-I58 VanDerWaalsContact O-CG1 3.23Å; K54-I58 WeakPolarHBondContact O-CG1 3.48Å; K54-I58 PolarHBondContact O-N 3.14Å; K54-I58 VanDerWaalsContact O-N 3.1Å |
| 55 | L | 74.2 | Confident | 72.2 | Confident | 106 Ų | 106 | 80.6 Ų | 80.6 | 56% | 0.555 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.6 | -42.8 | 170.8 | -109 | 95.4 | 0 | 0 | 0 | 112 | Q51 A52 L53 I58 H59 | Q51-L55 PolarHBondContact O-N 3.46Å; A52-L55 PolarHBondContact O-N 3.26Å; L53-L55 VanDerWaalsContact C-N 3.32Å; L53-L55 PolarHBondContact O-N 3.5Å; L55-I58 PolarHBondContact O-N 2.93Å; L55-H59 PolarHBondContact O-CD2 3.01Å; L55-H59 PolarHBondContact O-N 3.41Å |
| 56 | L | 73.5 | Confident | 73 | Confident | 56 Ų | 56 | 77.8 Ų | 77.8 | 29% | 0.293 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -71.1 | -35.6 | -177.9 | -75.7 | 155.3 | 0 | 0 | 0 | 112.4 | A52 L53 H59 G60 V61 I66 | A52-L56 WeakPolarHBondContact O-CD1 3.38Å; A52-L56 WeakPolarHBondContact O-CG 3.28Å; A52-L56 PolarHBondContact O-N 3.18Å; L53-L56 CarbonylContact O-C 3.59Å; L53-L56 PolarHBondContact O-N 3.12Å; L56-H59 CarbonylContact O-C 3.58Å; L56-H59 PolarHBondContact O-N 2.79Å; L56-G60 PolarHBondContact O-N 2.89Å; L56-G60 VanDerWaalsContact O-N 3.16Å; L56-V61 HydrophobicContact CB-CB 4.36Å; L56-V61 HydrophobicContact CD2-CB 3.97Å; L56-V61 HydrophobicContact CD2-CG1 4.18Å; L56-V61 HydrophobicContact CD2-CG2 4.03Å; L56-V61 PolarHBondContact O-N 2.63Å; L56-I66 HydrophobicContact CB-CD1 3.73Å; L56-I66 HydrophobicContact CD1-CD1 3.65Å; L56-I66 HydrophobicContact CD1-CG1 4.26Å; L56-I66 HydrophobicContact CD2-CD1 4.15Å; L56-I66 HydrophobicContact CG-CD1 4.03Å |
| 57 | D | 77.2 | Confident | 73.6 | Confident | 59 Ų | 59 | 77.6 Ų | 77.6 | 32% | 0.316 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 169.7 | -65.3 | -35.6 | 0 | 0 | 0 | 110.9 | L53 H59 G60 R63 | L53-D57 VanDerWaalsContact O-CG 3.27Å; L53-D57 PolarHBondContact O-N 3.14Å; D57-H59 VanDerWaalsContact C-N 3.3Å; D57-H59 PolarHBondContact O-N 3.46Å; D57-G60 PolarHBondContact O-N 2.93Å; D57-R63 VanDerWaalsContact OD1-CG 3.26Å; D57-R63 WeakPolarHBondContact OD1-CG 3.3Å; D57-R63 IonicContact OD1-CZ 2.7Å; D57-R63 IonicContact OD1-NE 2.65Å; D57-R63 PolarHBondContact OD1-NE 2.89Å; D57-R63 IonicContact OD1-NH2 3.15Å; D57-R63 IonicContact OD2-CZ 2.76Å; D57-R63 IonicContact OD2-NE 3.96Å; D57-R63 PolarHBondContact OD2-NE 2.75Å; D57-R63 VanDerWaalsContact OD2-NE 3.15Å; D57-R63 IonicContact OD2-NH2 2.93Å; D57-R63 PolarHBondContact OD2-NH2 3.28Å |
| 58 | I | 82.1 | Confident | 74.3 | Confident | 141 Ų | 141 | 79.2 Ų | 79.2 | 72% | 0.723 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.1 | -36.2 | 175.2 | -71.3 | 163.9 | 0 | 0 | 0 | 111.7 | K54 L55 G60 | K54-I58 WeakPolarHBondContact O-CD1 3.44Å; K54-I58 VanDerWaalsContact O-CG1 3.23Å; K54-I58 WeakPolarHBondContact O-CG1 3.48Å; K54-I58 PolarHBondContact O-N 3.14Å; K54-I58 VanDerWaalsContact O-N 3.1Å; L55-I58 PolarHBondContact O-N 2.93Å; I58-G60 PolarHBondContact O-N 3.31Å |
| 59 | H | 79.5 | Confident | 75.1 | Confident | 141 Ų | 141 | 75.7 Ų | 75.7 | 65% | 0.653 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 6.8 | 173.5 | -73 | -63.5 | 0 | 0 | 0 | 114.1 | L55 L56 D57 V61 | L55-H59 PolarHBondContact O-CD2 3.01Å; L55-H59 PolarHBondContact O-N 3.41Å; L56-H59 CarbonylContact O-C 3.58Å; L56-H59 PolarHBondContact O-N 2.79Å; D57-H59 VanDerWaalsContact C-N 3.3Å; D57-H59 PolarHBondContact O-N 3.46Å; H59-V61 HydrophobicContact CB-CG2 4.3Å; H59-V61 PolarHBondContact O-N 3.33Å |
| 60 | G | 79.7 | Confident | 75.7 | Confident | 63 Ų | 63 | 77.3 Ų | 77.3 | 65% | 0.649 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.3 | 14 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L56 D57 I58 P62 | L56-G60 PolarHBondContact O-N 2.89Å; L56-G60 VanDerWaalsContact O-N 3.16Å; D57-G60 PolarHBondContact O-N 2.93Å; I58-G60 PolarHBondContact O-N 3.31Å; G60-P62 WeakPolarHBondContact O-CD 3.12Å |
| 61 | V | 75.3 | Confident | 76.5 | Confident | 53 Ų | 53 | 79.7 Ų | 79.7 | 32% | 0.321 | 42% | 0.418 | S | S | . | . | trans | -81.3 | 115.3 | -179.9 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | L56 H59 R63 I66 | L56-V61 HydrophobicContact CB-CB 4.36Å; L56-V61 HydrophobicContact CD2-CB 3.97Å; L56-V61 HydrophobicContact CD2-CG1 4.18Å; L56-V61 HydrophobicContact CD2-CG2 4.03Å; L56-V61 PolarHBondContact O-N 2.63Å; H59-V61 HydrophobicContact CB-CG2 4.3Å; H59-V61 PolarHBondContact O-N 3.33Å; V61-R63 PolarHBondContact O-N 2.7Å; V61-I66 HydrophobicContact CB-CD1 4.49Å; V61-I66 HydrophobicContact CG1-CD1 3.92Å; V61-I66 HydrophobicContact CG1-CG1 3.99Å | ||
| 62 | P | 77.1 | Confident | 77 | Confident | 64 Ų | 64 | 77 Ų | 77 | 42% | 0.416 | 41% | 0.407 | S | S | . | . | trans | -66 | 127.6 | -174.2 | 26 | -34 | 0 | 0 | 0 | 110.8 | G60 H64 N65 | G60-P62 WeakPolarHBondContact O-CD 3.12Å; P62-H64 PolarHBondContact O-N 3.48Å; P62-N65 HydrophobicContact CG-CB 4.28Å; P62-N65 PolarHBondContact O-N 3.3Å | ||
| 63 | R | 73.8 | Confident | 77.7 | Confident | 77 Ų | 77 | 83.4 Ų | 83.4 | 29% | 0.291 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -44.1 | -34.9 | 178.6 | -58.8 | -174.3 | 174.6 | -172.7 | -4.2 | 113.9 | W42 L53 D57 V61 I66 L67 | W42-R63 HydrophobicContact CH2-CB 4.33Å; L53-R63 HydrophobicContact CD2-CB 4.16Å; L53-R63 HydrophobicContact CD2-CG 3.68Å; D57-R63 VanDerWaalsContact OD1-CG 3.26Å; D57-R63 WeakPolarHBondContact OD1-CG 3.3Å; D57-R63 IonicContact OD1-CZ 2.7Å; D57-R63 IonicContact OD1-NE 2.65Å; D57-R63 PolarHBondContact OD1-NE 2.89Å; D57-R63 IonicContact OD1-NH2 3.15Å; D57-R63 IonicContact OD2-CZ 2.76Å; D57-R63 IonicContact OD2-NE 3.96Å; D57-R63 PolarHBondContact OD2-NE 2.75Å; D57-R63 VanDerWaalsContact OD2-NE 3.15Å; D57-R63 IonicContact OD2-NH2 2.93Å; D57-R63 PolarHBondContact OD2-NH2 3.28Å; V61-R63 PolarHBondContact O-N 2.7Å; R63-I66 PolarHBondContact O-N 3.5Å; R63-L67 PolarHBondContact O-N 3.34Å; R63-L67 VanDerWaalsContact O-N 3.1Å |
| 64 | H | 73 | Confident | 78.4 | Confident | 122 Ų | 122 | 87.5 Ų | 87.5 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.7 | -43.9 | 177.9 | 117 | -93.2 | 0 | 0 | 0 | 113 | P62 I66 L67 W68 | P62-H64 PolarHBondContact O-N 3.48Å; H64-I66 VanDerWaalsContact C-N 3.25Å; H64-I66 PolarHBondContact O-N 3.29Å; H64-L67 PolarHBondContact O-N 3.35Å; H64-W68 WeakPolarHBondContact O-CB 3.47Å; H64-W68 PolarHBondContact O-N 2.89Å |
| 65 | N | 78.3 | Confident | 79 | Confident | 83 Ų | 83 | 82.2 Ų | 82.2 | 44% | 0.444 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.2 | -37.8 | 178 | -75.7 | 13.2 | 0 | 0 | 0 | 111.4 | P62 S69 | P62-N65 HydrophobicContact CG-CB 4.28Å; P62-N65 PolarHBondContact O-N 3.3Å; N65-S69 WeakPolarHBondContact O-CB 3.44Å; N65-S69 PolarHBondContact O-N 3.1Å |
| 66 | I | 75 | Confident | 79.7 | Confident | 29 Ų | 29 | 81.1 Ų | 81.1 | 15% | 0.149 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -70.4 | -48.2 | -178.1 | -59.5 | 150 | 0 | 0 | 0 | 109.9 | L56 V61 R63 H64 W68 S69 I70 | L56-I66 HydrophobicContact CB-CD1 3.73Å; L56-I66 HydrophobicContact CD1-CD1 3.65Å; L56-I66 HydrophobicContact CD1-CG1 4.26Å; L56-I66 HydrophobicContact CD2-CD1 4.15Å; L56-I66 HydrophobicContact CG-CD1 4.03Å; V61-I66 HydrophobicContact CB-CD1 4.49Å; V61-I66 HydrophobicContact CG1-CD1 3.92Å; V61-I66 HydrophobicContact CG1-CG1 3.99Å; R63-I66 PolarHBondContact O-N 3.5Å; H64-I66 VanDerWaalsContact C-N 3.25Å; H64-I66 PolarHBondContact O-N 3.29Å; I66-W68 VanDerWaalsContact C-N 3.32Å; I66-W68 PolarHBondContact O-N 3.19Å; I66-S69 PolarHBondContact O-N 3.48Å; I66-I70 HydrophobicContact CG2-CD1 3.93Å; I66-I70 WeakPolarHBondContact O-CB 3.35Å; I66-I70 VanDerWaalsContact O-CG1 3.27Å; I66-I70 WeakPolarHBondContact O-CG1 3.45Å; I66-I70 PolarHBondContact O-N 2.94Å |
| 67 | L | 73.1 | Confident | 80.4 | Confident | 64 Ų | 64 | 80.8 Ų | 80.8 | 34% | 0.335 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 174.1 | -75.5 | 178 | 0 | 0 | 0 | 111.9 | W42 R63 H64 I70 N71 | W42-L67 HydrophobicContact CH2-CD1 4.39Å; W42-L67 HydrophobicContact CZ2-CD1 3.76Å; W42-L67 HydrophobicContact CZ2-CD2 3.85Å; W42-L67 HydrophobicContact CZ2-CG 3.91Å; R63-L67 PolarHBondContact O-N 3.34Å; R63-L67 VanDerWaalsContact O-N 3.1Å; H64-L67 PolarHBondContact O-N 3.35Å; L67-I70 PolarHBondContact O-N 2.91Å; L67-N71 WeakPolarHBondContact O-CB 3.43Å; L67-N71 PolarHBondContact O-N 2.98Å |
| 68 | W | 80.1 | Confident | 80.9 | Confident | 144 Ų | 144 | 80.8 Ų | 80.8 | 55% | 0.545 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.2 | -45.8 | 179.1 | -139.5 | 86.1 | 0 | 0 | 0 | 111.1 | H64 I66 I70 N71 D72 | H64-W68 WeakPolarHBondContact O-CB 3.47Å; H64-W68 PolarHBondContact O-N 2.89Å; I66-W68 VanDerWaalsContact C-N 3.32Å; I66-W68 PolarHBondContact O-N 3.19Å; W68-I70 VanDerWaalsContact C-N 3.34Å; W68-I70 PolarHBondContact O-N 3.24Å; W68-N71 CarbonylContact O-C 3.58Å; W68-N71 WeakPolarHBondContact O-CB 3.47Å; W68-N71 PolarHBondContact O-N 3.39Å; W68-N71 VanDerWaalsContact O-N 3.11Å; W68-D72 VanDerWaalsContact CZ3-OD2 3.24Å; W68-D72 WeakPolarHBondContact CZ3-OD2 3.39Å; W68-D72 PolarHBondContact O-N 3.39Å |
| 69 | S | 81 | Confident | 81.2 | Confident | 48 Ų | 48 | 76.3 Ų | 76.3 | 34% | 0.336 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65 | -33.6 | 176.1 | -169.6 | 0 | 0 | 0 | 0 | 113.3 | N65 I66 R73 | N65-S69 WeakPolarHBondContact O-CB 3.44Å; N65-S69 PolarHBondContact O-N 3.1Å; I66-S69 PolarHBondContact O-N 3.48Å; S69-R73 WeakPolarHBondContact O-CB 3.33Å; S69-R73 WeakPolarHBondContact O-CD 3.36Å; S69-R73 WeakPolarHBondContact O-CG 3.43Å; S69-R73 PolarHBondContact O-N 2.82Å; S69-R73 PolarHBondContact OG-NE 3.11Å |
| 70 | I | 81 | Confident | 81.6 | Confident | 75 Ų | 75 | 72.2 Ų | 72.2 | 39% | 0.385 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 171.9 | -71.6 | 166.9 | 0 | 0 | 0 | 110.4 | F49 I66 L67 W68 R73 L74 | F49-I70 HydrophobicContact CE2-CD1 4.03Å; F49-I70 HydrophobicContact CZ-CD1 3.61Å; I66-I70 HydrophobicContact CG2-CD1 3.93Å; I66-I70 WeakPolarHBondContact O-CB 3.35Å; I66-I70 VanDerWaalsContact O-CG1 3.27Å; I66-I70 WeakPolarHBondContact O-CG1 3.45Å; I66-I70 PolarHBondContact O-N 2.94Å; L67-I70 PolarHBondContact O-N 2.91Å; W68-I70 VanDerWaalsContact C-N 3.34Å; W68-I70 PolarHBondContact O-N 3.24Å; I70-R73 PolarHBondContact O-N 2.6Å; I70-L74 VanDerWaalsContact O-CB 3.26Å; I70-L74 WeakPolarHBondContact O-CB 3.31Å; I70-L74 PolarHBondContact O-N 2.81Å |
| 71 | N | 81.9 | Confident | 81.9 | Confident | 66 Ų | 66 | 77.9 Ų | 77.9 | 35% | 0.353 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 177.1 | -164.6 | 35.4 | 0 | 0 | 0 | 111.5 | L67 W68 L74 M75 Y113 | L67-N71 WeakPolarHBondContact O-CB 3.43Å; L67-N71 PolarHBondContact O-N 2.98Å; W68-N71 CarbonylContact O-C 3.58Å; W68-N71 WeakPolarHBondContact O-CB 3.47Å; W68-N71 PolarHBondContact O-N 3.39Å; W68-N71 VanDerWaalsContact O-N 3.11Å; N71-L74 PolarHBondContact O-N 3.06Å; N71-M75 WeakPolarHBondContact O-CB 3.45Å; N71-M75 PolarHBondContact O-N 2.88Å; N71-Y113 VanDerWaalsContact CG-OH 3.32Å; N71-Y113 WeakPolarHBondContact ND2-CE1 3.45Å; N71-Y113 VanDerWaalsContact ND2-CZ 3.28Å; N71-Y113 PolarHBondContact ND2-OH 3.21Å; N71-Y113 PolarHBondContact O-OH 2.89Å |
| 72 | D | 85.4 | Confident | 82.3 | Confident | 50 Ų | 50 | 75.5 Ų | 75.5 | 27% | 0.267 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -51.9 | 174.4 | -85.5 | -20.1 | 0 | 0 | 0 | 110.4 | W68 L74 M75 D76 Y113 | W68-D72 VanDerWaalsContact CZ3-OD2 3.24Å; W68-D72 WeakPolarHBondContact CZ3-OD2 3.39Å; W68-D72 PolarHBondContact O-N 3.39Å; D72-L74 VanDerWaalsContact C-N 3.26Å; D72-L74 PolarHBondContact O-N 3.23Å; D72-M75 CarbonylContact O-C 3.57Å; D72-M75 WeakPolarHBondContact O-CB 3.49Å; D72-M75 PolarHBondContact O-N 2.62Å; D72-M75 VanDerWaalsContact O-N 3.08Å; D72-D76 WeakPolarHBondContact O-CB 3.17Å; D72-D76 PolarHBondContact O-N 2.8Å; D72-Y113 VanDerWaalsContact CA-OH 3.29Å; D72-Y113 WeakPolarHBondContact CA-OH 3.35Å; D72-Y113 PolarHBondContact N-OH 3.12Å; D72-Y113 WeakPolarHBondContact OD1-CE2 3.42Å; D72-Y113 PolarHBondContact OD1-OH 2.79Å |
| 73 | R | 86.1 | Confident | 82.6 | Confident | 181 Ų | 181 | 76.5 Ų | 76.5 | 68% | 0.683 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60 | -36.6 | 178.2 | -72 | 166.2 | -177 | -87.7 | 1.1 | 112.2 | S69 I70 A77 | S69-R73 WeakPolarHBondContact O-CB 3.33Å; S69-R73 WeakPolarHBondContact O-CD 3.36Å; S69-R73 WeakPolarHBondContact O-CG 3.43Å; S69-R73 PolarHBondContact O-N 2.82Å; S69-R73 PolarHBondContact OG-NE 3.11Å; I70-R73 PolarHBondContact O-N 2.6Å; R73-A77 WeakPolarHBondContact O-CB 3.36Å; R73-A77 PolarHBondContact O-N 3.08Å |
| 74 | L | 84.9 | Confident | 82.8 | Confident | 95 Ų | 95 | 76.8 Ų | 76.8 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.7 | -45.1 | 173.5 | 177.7 | 61 | 0 | 0 | 0 | 111.2 | I70 N71 D72 A77 I78 | I70-L74 VanDerWaalsContact O-CB 3.26Å; I70-L74 WeakPolarHBondContact O-CB 3.31Å; I70-L74 PolarHBondContact O-N 2.81Å; N71-L74 PolarHBondContact O-N 3.06Å; D72-L74 VanDerWaalsContact C-N 3.26Å; D72-L74 PolarHBondContact O-N 3.23Å; L74-A77 PolarHBondContact O-N 2.84Å; L74-I78 HydrophobicContact CD1-CD1 4Å; L74-I78 HydrophobicContact CD1-CG1 4.34Å; L74-I78 HydrophobicContact CG-CD1 3.95Å; L74-I78 WeakPolarHBondContact O-CD1 3.25Å; L74-I78 WeakPolarHBondContact O-CG1 3.43Å; L74-I78 PolarHBondContact O-N 3.42Å |
| 75 | M | 86.7 | Confident | 82.6 | Confident | 9 Ų | 9 | 75.2 Ų | 75.2 | 4% | 0.044 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.9 | -48.9 | 178.9 | -177.5 | 53.5 | 66.9 | 0 | 0 | 110.8 | N71 D72 I78 K79 Y113 M114 L117 | N71-M75 WeakPolarHBondContact O-CB 3.45Å; N71-M75 PolarHBondContact O-N 2.88Å; D72-M75 CarbonylContact O-C 3.57Å; D72-M75 WeakPolarHBondContact O-CB 3.49Å; D72-M75 PolarHBondContact O-N 2.62Å; D72-M75 VanDerWaalsContact O-N 3.08Å; M75-I78 WeakPolarHBondContact O-CB 3.46Å; M75-I78 PolarHBondContact O-N 3.13Å; M75-I78 VanDerWaalsContact O-N 3.13Å; M75-K79 WeakPolarHBondContact O-CG 3.46Å; M75-K79 PolarHBondContact O-N 2.9Å; M75-Y113 HydrophobicContact CB-CE1 4.2Å; M75-Y113 HydrophobicContact CE-CD1 3.95Å; M75-Y113 HydrophobicContact CE-CE1 3.55Å; M75-Y113 HydrophobicContact CG-CE1 4.13Å; M75-M114 HydrophobicContact CE-CE 4.46Å; M75-M114 HydrophobicContact CE-SD 3.64Å; M75-L117 HydrophobicContact CE-CD2 4.1Å; M75-L117 HydrophobicContact SD-CB 3.66Å; M75-L117 HydrophobicContact SD-CD2 3.66Å; M75-L117 HydrophobicContact SD-CG 4.18Å |
| 76 | D | 88.7 | Confident | 81.5 | Confident | 83 Ų | 83 | 75.7 Ų | 75.7 | 44% | 0.444 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.8 | -34.5 | 177.1 | -71.7 | -13.1 | 0 | 0 | 0 | 112.5 | D72 I78 K79 A80 | D72-D76 WeakPolarHBondContact O-CB 3.17Å; D72-D76 PolarHBondContact O-N 2.8Å; D76-I78 VanDerWaalsContact C-N 3.28Å; D76-I78 PolarHBondContact O-N 3.42Å; D76-K79 PolarHBondContact O-N 3.12Å; D76-K79 IonicContact OD1-NZ 2.76Å; D76-K79 PolarHBondContact OD1-NZ 3.41Å; D76-A80 WeakPolarHBondContact O-CB 3.16Å; D76-A80 PolarHBondContact O-N 2.95Å |
| 77 | A | 88.1 | Confident | 80.6 | Confident | 49 Ų | 49 | 79.8 Ų | 79.8 | 41% | 0.405 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.4 | -30.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R73 L74 R81 | R73-A77 WeakPolarHBondContact O-CB 3.36Å; R73-A77 PolarHBondContact O-N 3.08Å; L74-A77 PolarHBondContact O-N 2.84Å; A77-R81 WeakPolarHBondContact O-CB 3.29Å; A77-R81 VanDerWaalsContact O-CG 3.28Å; A77-R81 WeakPolarHBondContact O-CG 3.22Å; A77-R81 PolarHBondContact O-N 3.35Å; A77-R81 VanDerWaalsContact O-N 3.15Å |
| 78 | I | 87.4 | Confident | 79.4 | Confident | 60 Ų | 60 | 83.3 Ų | 83.3 | 31% | 0.308 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -74.3 | -49 | 172.6 | -67.1 | 162.7 | 0 | 0 | 0 | 110.2 | L74 M75 D76 A80 R81 V82 L117 | L74-I78 HydrophobicContact CD1-CD1 4Å; L74-I78 HydrophobicContact CD1-CG1 4.34Å; L74-I78 HydrophobicContact CG-CD1 3.95Å; L74-I78 WeakPolarHBondContact O-CD1 3.25Å; L74-I78 WeakPolarHBondContact O-CG1 3.43Å; L74-I78 PolarHBondContact O-N 3.42Å; M75-I78 WeakPolarHBondContact O-CB 3.46Å; M75-I78 PolarHBondContact O-N 3.13Å; M75-I78 VanDerWaalsContact O-N 3.13Å; D76-I78 VanDerWaalsContact C-N 3.28Å; D76-I78 PolarHBondContact O-N 3.42Å; I78-A80 VanDerWaalsContact C-N 3.33Å; I78-A80 PolarHBondContact O-N 2.94Å; I78-R81 CarbonylContact O-C 3.59Å; I78-R81 WeakPolarHBondContact O-CA 3.21Å; I78-R81 WeakPolarHBondContact O-CB 3.47Å; I78-R81 PolarHBondContact O-N 2.86Å; I78-V82 WeakPolarHBondContact O-CG2 3.5Å; I78-V82 PolarHBondContact O-N 2.83Å; I78-L117 HydrophobicContact CG2-CD1 3.73Å; I78-L117 HydrophobicContact CG2-CD2 3.78Å; I78-L117 HydrophobicContact CG2-CG 4.43Å |
| 79 | K | 88 | Confident | 78.3 | Confident | 47 Ų | 47 | 82.8 Ų | 82.8 | 20% | 0.204 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -54.7 | -48.3 | 174.6 | -67.1 | 177.2 | -167.2 | 148.4 | 0 | 111.3 | M75 D76 R81 V82 D83 L117 Q120 | M75-K79 WeakPolarHBondContact O-CG 3.46Å; M75-K79 PolarHBondContact O-N 2.9Å; D76-K79 PolarHBondContact O-N 3.12Å; D76-K79 IonicContact OD1-NZ 2.76Å; D76-K79 PolarHBondContact OD1-NZ 3.41Å; K79-R81 VanDerWaalsContact C-N 3.3Å; K79-R81 PolarHBondContact O-N 3.45Å; K79-V82 CarbonylContact O-C 3.44Å; K79-V82 WeakPolarHBondContact O-CA 3.37Å; K79-V82 WeakPolarHBondContact O-CB 3.49Å; K79-V82 PolarHBondContact O-N 2.77Å; K79-D83 PolarHBondContact O-N 3.02Å; K79-L117 HydrophobicContact CG-CD1 4.27Å; K79-Q120 VanDerWaalsContact CB-OE1 3.26Å; K79-Q120 VanDerWaalsContact CG-OE1 3.26Å |
| 80 | A | 88.4 | Confident | 77.8 | Confident | 54 Ų | 54 | 83.3 Ų | 83.3 | 45% | 0.446 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.8 | -38.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | D76 I78 V82 D83 S84 | D76-A80 WeakPolarHBondContact O-CB 3.16Å; D76-A80 PolarHBondContact O-N 2.95Å; I78-A80 VanDerWaalsContact C-N 3.33Å; I78-A80 PolarHBondContact O-N 2.94Å; A80-V82 VanDerWaalsContact C-N 3.3Å; A80-V82 PolarHBondContact O-N 3.13Å; A80-D83 PolarHBondContact O-N 3.27Å; A80-S84 WeakPolarHBondContact O-CB 3.39Å; A80-S84 PolarHBondContact O-N 2.93Å; A80-S84 PolarHBondContact O-OG 3.32Å |
| 81 | R | 86 | Confident | 77.4 | Confident | 182 Ų | 182 | 84.4 Ų | 84.4 | 69% | 0.687 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -74.2 | -12.8 | 172.5 | -79.7 | 177.7 | 167.9 | -158.7 | -2.1 | 114.9 | A77 I78 K79 | A77-R81 WeakPolarHBondContact O-CB 3.29Å; A77-R81 VanDerWaalsContact O-CG 3.28Å; A77-R81 WeakPolarHBondContact O-CG 3.22Å; A77-R81 PolarHBondContact O-N 3.35Å; A77-R81 VanDerWaalsContact O-N 3.15Å; I78-R81 CarbonylContact O-C 3.59Å; I78-R81 WeakPolarHBondContact O-CA 3.21Å; I78-R81 WeakPolarHBondContact O-CB 3.47Å; I78-R81 PolarHBondContact O-N 2.86Å; K79-R81 VanDerWaalsContact C-N 3.3Å; K79-R81 PolarHBondContact O-N 3.45Å |
| 82 | V | 85.1 | Confident | 77.3 | Confident | 4 Ų | 4 | 89.9 Ų | 89.9 | 2% | 0.024 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -85.6 | -34.9 | 169.9 | 173.4 | 0 | 0 | 0 | 0 | 110.2 | I78 K79 A80 W98 L117 Q120 V121 K124 | I78-V82 WeakPolarHBondContact O-CG2 3.5Å; I78-V82 PolarHBondContact O-N 2.83Å; K79-V82 CarbonylContact O-C 3.44Å; K79-V82 WeakPolarHBondContact O-CA 3.37Å; K79-V82 WeakPolarHBondContact O-CB 3.49Å; K79-V82 PolarHBondContact O-N 2.77Å; A80-V82 VanDerWaalsContact C-N 3.3Å; A80-V82 PolarHBondContact O-N 3.13Å; V82-W98 HydrophobicContact CB-CH2 4.22Å; V82-W98 HydrophobicContact CG1-CH2 4.21Å; V82-W98 HydrophobicContact CG1-CZ2 4.48Å; V82-W98 HydrophobicContact CG2-CH2 3.87Å; V82-W98 HydrophobicContact CG2-CZ3 3.92Å; V82-L117 HydrophobicContact CG2-CD1 4.14Å; V82-Q120 HydrophobicContact CG1-CG 4.03Å; V82-V121 HydrophobicContact CG1-CG2 4.17Å; V82-V121 HydrophobicContact CG2-CG2 3.91Å; V82-K124 HydrophobicContact CG1-CG 3.71Å; V82-K124 WeakPolarHBondContact O-CE 3.31Å |
| 83 | D | 82.4 | Confident | 77.1 | Confident | 84 Ų | 84 | 93.8 Ų | 93.8 | 45% | 0.449 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -79.4 | -41.6 | 173.3 | -72.7 | -34.6 | 0 | 0 | 0 | 114 | K79 A80 K85 Q120 K124 | K79-D83 PolarHBondContact O-N 3.02Å; A80-D83 PolarHBondContact O-N 3.27Å; D83-K85 PolarHBondContact O-N 3.36Å; D83-Q120 PolarHBondContact OD1-NE2 3.47Å; D83-Q120 PolarHBondContact OD2-NE2 2.92Å; D83-K124 WeakPolarHBondContact OD1-CE 3.37Å; D83-K124 IonicContact OD1-NZ 3.28Å; D83-K124 PolarHBondContact OD1-NZ 2.94Å |
| 84 | S | 78.2 | Confident | 76.7 | Confident | 84 Ų | 84 | 86.6 Ų | 86.6 | 59% | 0.587 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -78.2 | 18.5 | -173.6 | 85.5 | 0 | 0 | 0 | 0 | 114.3 | A80 P86 | A80-S84 WeakPolarHBondContact O-CB 3.39Å; A80-S84 PolarHBondContact O-N 2.93Å; A80-S84 PolarHBondContact O-OG 3.32Å; S84-P86 WeakPolarHBondContact O-CD 3.35Å |
| 85 | K | 69.4 | Low | 76.7 | Confident | 88 Ų | 88 | 83.2 Ų | 83.2 | 38% | 0.383 | 44% | 0.442 | S | S | . | . | trans | -105 | 100.3 | 171.1 | -80.3 | 179.6 | 177.6 | 175.8 | 0 | 107.9 | D83 L97 W98 | D83-K85 PolarHBondContact O-N 3.36Å; K85-L97 VanDerWaalsContact NZ-CD2 3.27Å; K85-W98 HydrophobicContact CD-CH2 3.96Å; K85-W98 HydrophobicContact CD-CZ2 3.98Å | ||
| 86 | P | 55 | Low | 76.6 | Confident | 93 Ų | 93 | 90.3 Ų | 90.3 | 60% | 0.604 | 47% | 0.473 | S | S | * | . | trans | -66 | 166.9 | 173 | -12.8 | 29 | 0 | 0 | 0 | 110.3 | S84 D88 | S84-P86 WeakPolarHBondContact O-CD 3.35Å; P86-D88 PolarHBondContact O-N 2.68Å; P86-D88 VanDerWaalsContact O-N 3.12Å | ||
| 87 | D | 56.6 | Low | 76.4 | Confident | 116 Ų | 116 | 89.4 Ų | 89.4 | 62% | 0.62 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -74 | 3.5 | -178.6 | -67.8 | -73.1 | 0 | 0 | 0 | 114.7 | Q91 | D87-Q91 PolarHBondContact OD1-NE2 3.03Š|
| 88 | D | 46.5 | Very low | 76.3 | Confident | 137 Ų | 137 | 87.7 Ų | 87.7 | 73% | 0.733 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 142.9 | -170.6 | -80.9 | -58.1 | 0 | 0 | 0 | 115.8 | P86 D90 | P86-D88 PolarHBondContact O-N 2.68Å; P86-D88 VanDerWaalsContact O-N 3.12Å; D88-D90 PolarHBondContact O-N 2.62Å |
| 89 | C | 56.9 | Low | 76.2 | Confident | 133 Ų | 133 | 88.7 Ų | 88.7 | 90% | 0.899 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | -33.5 | 173.3 | -161.6 | 0 | 0 | 0 | 0 | 118.4 | ||
| 90 | D | 70.6 | Confident | 76.1 | Confident | 60 Ų | 60 | 93.8 Ų | 93.8 | 32% | 0.321 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.7 | 25.3 | -159.9 | -117.8 | -28 | 0 | 0 | 0 | 114.9 | D88 K92 K93 C94 | D88-D90 PolarHBondContact O-N 2.62Å; D90-K92 PolarHBondContact O-N 3.03Å; D90-K93 HydrophobicContact CB-CB 4.49Å; D90-K93 VanDerWaalsContact CG-CD 3.46Å; D90-K93 WeakPolarHBondContact O-CA 3.4Å; D90-K93 WeakPolarHBondContact O-CB 3.37Å; D90-K93 PolarHBondContact O-N 2.72Å; D90-K93 WeakPolarHBondContact OD1-CD 3.28Å; D90-K93 WeakPolarHBondContact OD1-CE 3.43Å; D90-K93 VanDerWaalsContact OD1-CG 3.26Å; D90-K93 WeakPolarHBondContact OD1-CG 3.4Å; D90-K93 IonicContact OD1-NZ 3.34Å; D90-K93 PolarHBondContact OD1-NZ 3.06Å; D90-K93 WeakPolarHBondContact OD2-CD 3.48Å; D90-K93 WeakPolarHBondContact OD2-CE 3.44Å; D90-K93 IonicContact OD2-NZ 2.66Å; D90-K93 PolarHBondContact OD2-NZ 3.44Å; D90-C94 PolarHBondContact O-N 2.98Å; D90-C94 VanDerWaalsContact O-N 3.14Å |
| 91 | Q | 73.9 | Confident | 76 | Confident | 97 Ų | 97 | 94 Ų | 94 | 45% | 0.453 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -51.4 | -33.8 | -176.3 | -144.3 | -173.3 | 29.7 | 0 | 0 | 113.4 | D87 K93 C94 Q95 | D87-Q91 PolarHBondContact OD1-NE2 3.03Å; Q91-K93 PolarHBondContact O-N 2.88Å; Q91-C94 PolarHBondContact O-N 3.4Å; Q91-Q95 WeakPolarHBondContact O-CG 3.24Å; Q91-Q95 PolarHBondContact O-N 3.27Å |
| 92 | K | 78.3 | Confident | 76 | Confident | 181 Ų | 181 | 85.6 Ų | 85.6 | 79% | 0.787 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.9 | -33.3 | 173.4 | -71.9 | -179.9 | -179.9 | 173.6 | 0 | 113.7 | D90 K96 | D90-K92 PolarHBondContact O-N 3.03Å; K92-K96 WeakPolarHBondContact O-CG 3.45Å; K92-K96 PolarHBondContact O-N 3.06Å |
| 93 | K | 81.3 | Confident | 76.1 | Confident | 133 Ų | 133 | 94 Ų | 94 | 58% | 0.578 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -75.1 | -40.1 | 172.8 | -65.1 | -175 | -161.9 | 141.3 | 0 | 110.7 | D90 Q91 K96 L97 | D90-K93 HydrophobicContact CB-CB 4.49Å; D90-K93 VanDerWaalsContact CG-CD 3.46Å; D90-K93 WeakPolarHBondContact O-CA 3.4Å; D90-K93 WeakPolarHBondContact O-CB 3.37Å; D90-K93 PolarHBondContact O-N 2.72Å; D90-K93 WeakPolarHBondContact OD1-CD 3.28Å; D90-K93 WeakPolarHBondContact OD1-CE 3.43Å; D90-K93 VanDerWaalsContact OD1-CG 3.26Å; D90-K93 WeakPolarHBondContact OD1-CG 3.4Å; D90-K93 IonicContact OD1-NZ 3.34Å; D90-K93 PolarHBondContact OD1-NZ 3.06Å; D90-K93 WeakPolarHBondContact OD2-CD 3.48Å; D90-K93 WeakPolarHBondContact OD2-CE 3.44Å; D90-K93 IonicContact OD2-NZ 2.66Å; D90-K93 PolarHBondContact OD2-NZ 3.44Å; Q91-K93 PolarHBondContact O-N 2.88Å; K93-K96 PolarHBondContact O-N 3.41Å; K93-L97 PolarHBondContact O-N 2.89Å |
| 94 | C | 79.3 | Confident | 76.2 | Confident | 29 Ų | 29 | 94.9 Ų | 94.9 | 20% | 0.196 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 175.7 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | D90 Q91 K96 L97 W98 | D90-C94 PolarHBondContact O-N 2.98Å; D90-C94 VanDerWaalsContact O-N 3.14Å; Q91-C94 PolarHBondContact O-N 3.4Å; C94-K96 PolarHBondContact O-N 2.93Å; C94-L97 WeakPolarHBondContact O-CA 3.43Å; C94-L97 WeakPolarHBondContact O-CB 3.49Å; C94-L97 PolarHBondContact O-N 3.06Å; C94-W98 VanDerWaalsContact O-CG 3.3Å; C94-W98 PolarHBondContact O-N 3.45Å |
| 95 | Q | 83.1 | Confident | 76.4 | Confident | 24 Ų | 24 | 91.7 Ų | 91.7 | 11% | 0.112 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.9 | -38 | 175.2 | -68.4 | -58.5 | -21.1 | 0 | 0 | 112.9 | Q91 L97 W98 Q99 K124 M125 N126 | Q91-Q95 WeakPolarHBondContact O-CG 3.24Å; Q91-Q95 PolarHBondContact O-N 3.27Å; Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 3.33Å; Q95-W98 PolarHBondContact O-N 3.29Å; Q95-Q99 PolarHBondContact O-N 2.78Å; Q95-K124 PolarHBondContact NE2-O 3.21Å; Q95-M125 VanDerWaalsContact OE1-CA 3.3Å; Q95-N126 PolarHBondContact OE1-OD1 3.21Å |
| 96 | K | 84.9 | Confident | 77.1 | Confident | 158 Ų | 158 | 88.5 Ų | 88.5 | 69% | 0.687 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -64 | -33.7 | 171.9 | -76.7 | 178.4 | 179.2 | -176.5 | 0 | 112.6 | K92 K93 C94 K100 | K92-K96 WeakPolarHBondContact O-CG 3.45Å; K92-K96 PolarHBondContact O-N 3.06Å; K93-K96 PolarHBondContact O-N 3.41Å; C94-K96 PolarHBondContact O-N 2.93Å; K96-K100 WeakPolarHBondContact O-CG 3.41Å; K96-K100 PolarHBondContact O-N 3.4Å |
| 97 | L | 85.7 | Confident | 78.5 | Confident | 65 Ų | 65 | 89.3 Ų | 89.3 | 34% | 0.34 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.6 | -47.5 | 174.2 | -179.6 | 65.1 | 0 | 0 | 0 | 111.2 | K85 K93 C94 Q95 Q99 K100 L101 | K85-L97 VanDerWaalsContact NZ-CD2 3.27Å; K93-L97 PolarHBondContact O-N 2.89Å; C94-L97 WeakPolarHBondContact O-CA 3.43Å; C94-L97 WeakPolarHBondContact O-CB 3.49Å; C94-L97 PolarHBondContact O-N 3.06Å; Q95-L97 VanDerWaalsContact C-N 3.3Å; Q95-L97 PolarHBondContact O-N 3.33Å; L97-Q99 PolarHBondContact O-N 3.23Å; L97-K100 WeakPolarHBondContact O-CB 3.43Å; L97-K100 PolarHBondContact O-N 3.32Å; L97-L101 HydrophobicContact CD1-CD1 3.66Å; L97-L101 HydrophobicContact CG-CD1 3.89Å; L97-L101 VanDerWaalsContact O-CD1 3.28Å; L97-L101 WeakPolarHBondContact O-CD1 3.41Å; L97-L101 PolarHBondContact O-N 2.97Å |
| 98 | W | 86.4 | Confident | 79.9 | Confident | 13 Ų | 13 | 90.1 Ų | 90.1 | 5% | 0.049 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -60 | -43 | 177 | -56.7 | 149.2 | 0 | 0 | 0 | 112.2 | V82 K85 C94 Q95 K100 L101 I102 V121 M125 | V82-W98 HydrophobicContact CB-CH2 4.22Å; V82-W98 HydrophobicContact CG1-CH2 4.21Å; V82-W98 HydrophobicContact CG1-CZ2 4.48Å; V82-W98 HydrophobicContact CG2-CH2 3.87Å; V82-W98 HydrophobicContact CG2-CZ3 3.92Å; K85-W98 HydrophobicContact CD-CH2 3.96Å; K85-W98 HydrophobicContact CD-CZ2 3.98Å; C94-W98 VanDerWaalsContact O-CG 3.3Å; C94-W98 PolarHBondContact O-N 3.45Å; Q95-W98 PolarHBondContact O-N 3.29Å; W98-K100 VanDerWaalsContact C-N 3.29Å; W98-K100 PolarHBondContact O-N 3.4Å; W98-L101 HydrophobicContact CE3-CD2 4.28Å; W98-L101 HydrophobicContact CZ3-CD2 4.24Å; W98-L101 PolarHBondContact O-N 2.75Å; W98-I102 WeakPolarHBondContact O-CG1 3.37Å; W98-I102 PolarHBondContact O-N 3.24Å; W98-V121 HydrophobicContact CB-CG1 4.05Å; W98-V121 HydrophobicContact CD2-CG1 4.26Å; W98-V121 HydrophobicContact CE3-CG1 3.93Å; W98-V121 HydrophobicContact CG-CG1 4.34Å; W98-M125 HydrophobicContact CB-CG 3.69Å; W98-M125 HydrophobicContact CB-SD 4.2Å; W98-M125 HydrophobicContact CG-CG 4.42Å |
| 99 | Q | 84.9 | Confident | 81.8 | Confident | 80 Ų | 80 | 83.6 Ų | 83.6 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.3 | -31 | 173.7 | -71.9 | -156.7 | 25.1 | 0 | 0 | 113.6 | Q95 L97 K103 M125 | Q95-Q99 PolarHBondContact O-N 2.78Å; L97-Q99 PolarHBondContact O-N 3.23Å; Q99-K103 WeakPolarHBondContact O-CB 3.1Å; Q99-K103 PolarHBondContact O-N 3.39Å; Q99-M125 HydrophobicContact CG-CE 3.87Å |
| 100 | K | 86 | Confident | 83.3 | Confident | 154 Ų | 154 | 81.2 Ų | 81.2 | 67% | 0.67 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -69.9 | -44.7 | 172.2 | -77.2 | -178 | 176.9 | -172.3 | 0 | 111.9 | K96 L97 W98 K103 T104 | K96-K100 WeakPolarHBondContact O-CG 3.41Å; K96-K100 PolarHBondContact O-N 3.4Å; L97-K100 WeakPolarHBondContact O-CB 3.43Å; L97-K100 PolarHBondContact O-N 3.32Å; W98-K100 VanDerWaalsContact C-N 3.29Å; W98-K100 PolarHBondContact O-N 3.4Å; K100-K103 PolarHBondContact O-N 3.14Å; K100-T104 PolarHBondContact O-N 2.72Å; K100-T104 PolarHBondContact O-OG1 3.14Å; K100-T104 VanDerWaalsContact O-OG1 3.06Å |
| 101 | L | 84.9 | Confident | 84.1 | Confident | 60 Ų | 60 | 83.6 Ų | 83.6 | 31% | 0.314 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 175.7 | -91.7 | 75.7 | 0 | 0 | 0 | 111.1 | L97 W98 K103 T104 G105 V121 | L97-L101 HydrophobicContact CD1-CD1 3.66Å; L97-L101 HydrophobicContact CG-CD1 3.89Å; L97-L101 VanDerWaalsContact O-CD1 3.28Å; L97-L101 WeakPolarHBondContact O-CD1 3.41Å; L97-L101 PolarHBondContact O-N 2.97Å; W98-L101 HydrophobicContact CE3-CD2 4.28Å; W98-L101 HydrophobicContact CZ3-CD2 4.24Å; W98-L101 PolarHBondContact O-N 2.75Å; L101-K103 PolarHBondContact O-N 3.04Å; L101-T104 PolarHBondContact O-N 3.22Å; L101-T104 PolarHBondContact O-OG1 3.2Å; L101-G105 WeakPolarHBondContact O-CA 3.41Å; L101-G105 PolarHBondContact O-N 3Å; L101-V121 HydrophobicContact CB-CG1 4.37Å; L101-V121 HydrophobicContact CD2-CG2 4.38Å |
| 102 | I | 87.3 | Confident | 84.6 | Confident | 5 Ų | 5 | 83.3 Ų | 83.3 | 3% | 0.026 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.1 | -39.3 | 178.2 | -66.4 | -57.3 | 0 | 0 | 0 | 111.9 | W98 T104 G105 I106 I118 V121 L122 M125 | W98-I102 WeakPolarHBondContact O-CG1 3.37Å; W98-I102 PolarHBondContact O-N 3.24Å; I102-T104 PolarHBondContact O-N 2.92Å; I102-T104 VanDerWaalsContact O-N 3.15Å; I102-G105 PolarHBondContact O-N 3.25Å; I102-I106 HydrophobicContact CG2-CB 4.28Å; I102-I106 HydrophobicContact CG2-CD1 4.43Å; I102-I106 VanDerWaalsContact O-CB 3.29Å; I102-I106 WeakPolarHBondContact O-CB 3.5Å; I102-I106 WeakPolarHBondContact O-CG2 3.44Å; I102-I106 PolarHBondContact O-N 3.4Å; I102-I118 HydrophobicContact CD1-CG2 4.18Å; I102-V121 HydrophobicContact CD1-CB 4.09Å; I102-V121 HydrophobicContact CD1-CG1 3.77Å; I102-V121 HydrophobicContact CG1-CG1 3.86Å; I102-L122 HydrophobicContact CD1-CD2 3.83Å; I102-L122 HydrophobicContact CD1-CG 3.79Å; I102-L122 HydrophobicContact CG1-CD2 4.02Å; I102-L122 HydrophobicContact CG1-CG 4.47Å; I102-L122 HydrophobicContact CG2-CD2 4.23Å; I102-M125 HydrophobicContact CB-SD 4.42Å; I102-M125 HydrophobicContact CG1-SD 3.69Å |
| 103 | K | 85.7 | Confident | 84.9 | Confident | 180 Ų | 180 | 77 Ų | 77 | 78% | 0.783 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59 | -28.6 | 176.9 | -173.9 | 177.3 | 178.6 | -174.7 | 0 | 113 | Q99 K100 L101 | Q99-K103 WeakPolarHBondContact O-CB 3.1Å; Q99-K103 PolarHBondContact O-N 3.39Å; K100-K103 PolarHBondContact O-N 3.14Å; L101-K103 PolarHBondContact O-N 3.04Å |
| 104 | T | 84.3 | Confident | 85.2 | Confident | 103 Ų | 103 | 73.9 Ų | 73.9 | 63% | 0.632 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -96.7 | -35.3 | 177.4 | 46 | 0 | 0 | 0 | 0 | 113.1 | K100 L101 I102 | K100-T104 PolarHBondContact O-N 2.72Å; K100-T104 PolarHBondContact O-OG1 3.14Å; K100-T104 VanDerWaalsContact O-OG1 3.06Å; L101-T104 PolarHBondContact O-N 3.22Å; L101-T104 PolarHBondContact O-OG1 3.2Å; I102-T104 PolarHBondContact O-N 2.92Å; I102-T104 VanDerWaalsContact O-N 3.15Å |
| 105 | G | 82.5 | Confident | 85.7 | Confident | 17 Ų | 17 | 73.9 Ų | 73.9 | 18% | 0.175 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -88.3 | -24.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L101 I102 V107 Y108 I118 | L101-G105 WeakPolarHBondContact O-CA 3.41Å; L101-G105 PolarHBondContact O-N 3Å; I102-G105 PolarHBondContact O-N 3.25Å; G105-V107 PolarHBondContact O-N 3.35Å; G105-Y108 PolarHBondContact O-N 3.37Å; G105-I118 WeakPolarHBondContact O-CD1 3.4Å |
| 106 | I | 85.2 | Confident | 85.9 | Confident | 20 Ų | 20 | 75.8 Ų | 75.8 | 10% | 0.103 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -59 | -25.9 | -172.8 | -163.3 | 68.2 | 0 | 0 | 0 | 113.4 | I102 Y108 I109 I118 H132 L135 | I102-I106 HydrophobicContact CG2-CB 4.28Å; I102-I106 HydrophobicContact CG2-CD1 4.43Å; I102-I106 VanDerWaalsContact O-CB 3.29Å; I102-I106 WeakPolarHBondContact O-CB 3.5Å; I102-I106 WeakPolarHBondContact O-CG2 3.44Å; I102-I106 PolarHBondContact O-N 3.4Å; I106-Y108 PolarHBondContact O-N 3.26Å; I106-I109 HydrophobicContact CD1-CB 4.48Å; I106-I109 HydrophobicContact CD1-CD1 3.9Å; I106-I109 WeakPolarHBondContact O-CB 3.21Å; I106-I109 VanDerWaalsContact O-CG2 3.23Å; I106-I109 WeakPolarHBondContact O-CG2 3.45Å; I106-I109 PolarHBondContact O-N 3.35Å; I106-I109 VanDerWaalsContact O-N 3.17Å; I106-I118 HydrophobicContact CD1-CG2 4.18Å; I106-H132 HydrophobicContact CD1-CB 4.48Å; I106-L135 HydrophobicContact CG1-CD2 4.45Å |
| 107 | V | 85 | Confident | 86 | Confident | 111 Ų | 111 | 69.4 Ų | 69.4 | 67% | 0.673 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -58 | -30.1 | 175.1 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | G105 | G105-V107 PolarHBondContact O-N 3.35Š|
| 108 | Y | 85.9 | Confident | 86.2 | Confident | 132 Ų | 132 | 66.8 Ų | 66.8 | 52% | 0.518 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -94.1 | 9.1 | -177.5 | -51.2 | -77.7 | 0 | 0 | 0 | 113.7 | G105 I106 H110 H111 | G105-Y108 PolarHBondContact O-N 3.37Å; I106-Y108 PolarHBondContact O-N 3.26Å; Y108-H110 PolarHBondContact O-N 2.92Å; Y108-H111 WeakPolarHBondContact O-CB 3.46Å; Y108-H111 PolarHBondContact O-N 2.86Å |
| 109 | I | 86.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -31.8 | -176.6 | -165.4 | 169.2 | 0 | 0 | 0 | 113.3 | I106 H111 R115 I118 M119 L135 I136 L142 | I106-I109 HydrophobicContact CD1-CB 4.48Å; I106-I109 HydrophobicContact CD1-CD1 3.9Å; I106-I109 WeakPolarHBondContact O-CB 3.21Å; I106-I109 VanDerWaalsContact O-CG2 3.23Å; I106-I109 WeakPolarHBondContact O-CG2 3.45Å; I106-I109 PolarHBondContact O-N 3.35Å; I106-I109 VanDerWaalsContact O-N 3.17Å; I109-H111 VanDerWaalsContact C-N 3.31Å; I109-H111 PolarHBondContact O-N 3.5Å; I109-R115 WeakPolarHBondContact O-CB 3.33Å; I109-R115 WeakPolarHBondContact O-CG 3.39Å; I109-R115 PolarHBondContact O-NE 3.12Å; I109-I118 HydrophobicContact CB-CD1 4.33Å; I109-I118 HydrophobicContact CB-CG2 4.35Å; I109-I118 HydrophobicContact CD1-CG2 4.24Å; I109-I118 HydrophobicContact CG1-CG2 4.15Å; I109-M119 HydrophobicContact CD1-CE 4.01Å; I109-M119 HydrophobicContact CD1-SD 4.46Å; I109-M119 HydrophobicContact CG1-CE 4.34Å; I109-L135 HydrophobicContact CG2-CD2 4.19Å; I109-I136 HydrophobicContact CD1-CD1 4.18Å; I109-I136 HydrophobicContact CD1-CG1 3.95Å; I109-L142 HydrophobicContact CD1-CD1 4.16Å; I109-L142 HydrophobicContact CG1-CD1 4.15Å; I109-L142 HydrophobicContact CG1-CD2 4.21Å; I109-L142 HydrophobicContact CG2-CD1 4.21Å |
| 110 | H | 87.9 | Confident | 86.4 | Confident | 84 Ų | 84 | 64.4 Ų | 64.4 | 39% | 0.389 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -26.6 | 176.5 | -58.7 | -75.2 | 0 | 0 | 0 | 112.5 | Y108 P112 R115 Y141 | Y108-H110 PolarHBondContact O-N 2.92Å; H110-P112 WeakPolarHBondContact O-CD 3.33Å; H110-R115 PolarHBondContact O-NH2 2.92Å; H110-Y141 AromaticContact ND1-CZ 3.98Å; H110-Y141 PolarHBondContact ND1-OH 3.33Å |
| 111 | H | 87.1 | Confident | 86.5 | Confident | 109 Ų | 109 | 57.2 Ų | 57.2 | 51% | 0.505 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -75.8 | 114.5 | -178 | -171.3 | -81.5 | 0 | 0 | 0 | 110.8 | Y108 I109 Y113 M114 R115 | Y108-H111 WeakPolarHBondContact O-CB 3.46Å; Y108-H111 PolarHBondContact O-N 2.86Å; I109-H111 VanDerWaalsContact C-N 3.31Å; I109-H111 PolarHBondContact O-N 3.5Å; H111-Y113 VanDerWaalsContact C-N 3.3Å; H111-Y113 PolarHBondContact O-N 3.27Å; H111-Y113 VanDerWaalsContact O-N 3.1Å; H111-M114 HydrophobicContact CB-CB 4.48Å; H111-M114 PolarHBondContact O-N 2.75Å; H111-R115 PolarHBondContact O-N 3.04Å |
| 112 | P | 84.6 | Confident | 86.6 | Confident | 91 Ų | 91 | 54.4 Ų | 54.4 | 59% | 0.591 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -52.9 | -42.9 | -167.3 | -29.3 | 35.5 | 0 | 0 | 0 | 114.4 | H110 M114 R115 | H110-P112 WeakPolarHBondContact O-CD 3.33Å; P112-M114 VanDerWaalsContact C-N 3.32Å; P112-M114 PolarHBondContact O-N 3.01Å; P112-R115 WeakPolarHBondContact O-CB 3.42Å; P112-R115 PolarHBondContact O-N 3.35Å |
| 113 | Y | 84.4 | Confident | 86.5 | Confident | 49 Ų | 49 | 54.9 Ų | 54.9 | 19% | 0.192 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -35.6 | 179.1 | -169.3 | -91.8 | 0 | 0 | 0 | 114 | N71 D72 M75 H111 | N71-Y113 VanDerWaalsContact CG-OH 3.32Å; N71-Y113 WeakPolarHBondContact ND2-CE1 3.45Å; N71-Y113 VanDerWaalsContact ND2-CZ 3.28Å; N71-Y113 PolarHBondContact ND2-OH 3.21Å; N71-Y113 PolarHBondContact O-OH 2.89Å; D72-Y113 VanDerWaalsContact CA-OH 3.29Å; D72-Y113 WeakPolarHBondContact CA-OH 3.35Å; D72-Y113 PolarHBondContact N-OH 3.12Å; D72-Y113 WeakPolarHBondContact OD1-CE2 3.42Å; D72-Y113 PolarHBondContact OD1-OH 2.79Å; M75-Y113 HydrophobicContact CB-CE1 4.2Å; M75-Y113 HydrophobicContact CE-CD1 3.95Å; M75-Y113 HydrophobicContact CE-CE1 3.55Å; M75-Y113 HydrophobicContact CG-CE1 4.13Å; H111-Y113 VanDerWaalsContact C-N 3.3Å; H111-Y113 PolarHBondContact O-N 3.27Å; H111-Y113 VanDerWaalsContact O-N 3.1Å |
| 114 | M | 87 | Confident | 86.4 | Confident | 67 Ų | 67 | 50 Ų | 50 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -88.8 | -28.5 | -179.4 | -72.6 | -66.3 | -165.6 | 0 | 0 | 112.2 | M75 H111 P112 S116 L117 I118 | M75-M114 HydrophobicContact CE-CE 4.46Å; M75-M114 HydrophobicContact CE-SD 3.64Å; H111-M114 HydrophobicContact CB-CB 4.48Å; H111-M114 PolarHBondContact O-N 2.75Å; P112-M114 VanDerWaalsContact C-N 3.32Å; P112-M114 PolarHBondContact O-N 3.01Å; M114-S116 VanDerWaalsContact C-N 3.3Å; M114-S116 PolarHBondContact O-N 3.35Å; M114-L117 PolarHBondContact O-N 3.03Å; M114-L117 VanDerWaalsContact O-N 3.14Å; M114-I118 HydrophobicContact CB-CD1 3.96Å; M114-I118 WeakPolarHBondContact O-CG1 3.28Å; M114-I118 PolarHBondContact O-N 2.82Å |
| 115 | R | 90.2 | Very high | 86.3 | Confident | 30 Ų | 30 | 45.5 Ų | 45.5 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -48.9 | -48.9 | -180 | -170.4 | -176.6 | -59.8 | 169.4 | 2.1 | 112.1 | I109 H110 H111 P112 L117 I118 M119 L142 D145 | I109-R115 WeakPolarHBondContact O-CB 3.33Å; I109-R115 WeakPolarHBondContact O-CG 3.39Å; I109-R115 PolarHBondContact O-NE 3.12Å; H110-R115 PolarHBondContact O-NH2 2.92Å; H111-R115 PolarHBondContact O-N 3.04Å; P112-R115 WeakPolarHBondContact O-CB 3.42Å; P112-R115 PolarHBondContact O-N 3.35Å; R115-L117 PolarHBondContact O-N 3.15Å; R115-I118 PolarHBondContact O-N 3.16Å; R115-M119 HydrophobicContact CG-CE 4.47Å; R115-M119 HydrophobicContact CG-CG 4.29Å; R115-M119 WeakPolarHBondContact O-CB 3.17Å; R115-M119 VanDerWaalsContact O-CG 3.28Å; R115-M119 WeakPolarHBondContact O-CG 3.38Å; R115-M119 PolarHBondContact O-N 3.27Å; R115-L142 HydrophobicContact CG-CD2 4.14Å; R115-D145 WeakPolarHBondContact CD-OD2 3.41Å; R115-D145 IonicContact CZ-OD2 2.9Å; R115-D145 IonicContact NE-OD2 2.79Å; R115-D145 IonicContact NH1-OD2 3.64Å; R115-D145 PolarHBondContact NH1-OD2 2.91Å |
| 116 | S | 87.9 | Confident | 86.2 | Confident | 64 Ų | 64 | 49.9 Ų | 49.9 | 45% | 0.448 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -53.5 | -50.1 | 178.7 | 174.8 | 0 | 0 | 0 | 0 | 112.6 | M114 Q120 | M114-S116 VanDerWaalsContact C-N 3.3Å; M114-S116 PolarHBondContact O-N 3.35Å; S116-Q120 WeakPolarHBondContact O-CB 3.09Å; S116-Q120 PolarHBondContact O-N 3.37Å |
| 117 | L | 87.6 | Confident | 86.1 | Confident | 23 Ų | 23 | 52.3 Ų | 52.3 | 12% | 0.12 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 178.4 | 173.6 | 62.7 | 0 | 0 | 0 | 112.2 | M75 I78 K79 V82 M114 R115 Q120 V121 | M75-L117 HydrophobicContact CE-CD2 4.1Å; M75-L117 HydrophobicContact SD-CB 3.66Å; M75-L117 HydrophobicContact SD-CD2 3.66Å; M75-L117 HydrophobicContact SD-CG 4.18Å; I78-L117 HydrophobicContact CG2-CD1 3.73Å; I78-L117 HydrophobicContact CG2-CD2 3.78Å; I78-L117 HydrophobicContact CG2-CG 4.43Å; K79-L117 HydrophobicContact CG-CD1 4.27Å; V82-L117 HydrophobicContact CG2-CD1 4.14Å; M114-L117 PolarHBondContact O-N 3.03Å; M114-L117 VanDerWaalsContact O-N 3.14Å; R115-L117 PolarHBondContact O-N 3.15Å; L117-Q120 PolarHBondContact O-N 3.17Å; L117-V121 HydrophobicContact CD1-CG2 4.09Å; L117-V121 WeakPolarHBondContact O-CG2 3.39Å; L117-V121 PolarHBondContact O-N 3.04Å |
| 118 | I | 90 | Very high | 86.1 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 6% | 0.056 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | -179.4 | -67.2 | 162 | 0 | 0 | 0 | 110.2 | I102 G105 I106 I109 M114 R115 Q120 V121 L122 | I102-I118 HydrophobicContact CD1-CG2 4.18Å; G105-I118 WeakPolarHBondContact O-CD1 3.4Å; I106-I118 HydrophobicContact CD1-CG2 4.18Å; I109-I118 HydrophobicContact CB-CD1 4.33Å; I109-I118 HydrophobicContact CB-CG2 4.35Å; I109-I118 HydrophobicContact CD1-CG2 4.24Å; I109-I118 HydrophobicContact CG1-CG2 4.15Å; M114-I118 HydrophobicContact CB-CD1 3.96Å; M114-I118 WeakPolarHBondContact O-CG1 3.28Å; M114-I118 PolarHBondContact O-N 2.82Å; R115-I118 PolarHBondContact O-N 3.16Å; I118-Q120 PolarHBondContact O-N 2.98Å; I118-V121 PolarHBondContact O-N 2.94Å; I118-L122 HydrophobicContact CG2-CD1 4.22Å; I118-L122 WeakPolarHBondContact O-CG 3.33Å; I118-L122 PolarHBondContact O-N 3.48Å |
| 119 | M | 88.9 | Confident | 86 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.6 | -40.2 | 174.8 | -68.8 | -58.9 | -168.1 | 0 | 0 | 112 | I109 R115 L122 G123 I136 L142 P147 V150 | I109-M119 HydrophobicContact CD1-CE 4.01Å; I109-M119 HydrophobicContact CD1-SD 4.46Å; I109-M119 HydrophobicContact CG1-CE 4.34Å; R115-M119 HydrophobicContact CG-CE 4.47Å; R115-M119 HydrophobicContact CG-CG 4.29Å; R115-M119 WeakPolarHBondContact O-CB 3.17Å; R115-M119 VanDerWaalsContact O-CG 3.28Å; R115-M119 WeakPolarHBondContact O-CG 3.38Å; R115-M119 PolarHBondContact O-N 3.27Å; M119-L122 PolarHBondContact O-N 3.02Å; M119-L122 HydrophobicContact SD-CD1 4.1Å; M119-G123 PolarHBondContact O-N 3.5Å; M119-I136 HydrophobicContact CE-CD1 4.06Å; M119-I136 HydrophobicContact CE-CG1 4.09Å; M119-I136 HydrophobicContact CE-CG2 4.27Å; M119-I136 HydrophobicContact SD-CD1 4.01Å; M119-L142 HydrophobicContact CE-CB 4.07Å; M119-L142 HydrophobicContact CE-CD2 4.43Å; M119-L142 VanDerWaalsContact CE-O 3.25Å; M119-L142 WeakPolarHBondContact CE-O 3.48Å; M119-P147 HydrophobicContact CB-CG 3.97Å; M119-V150 WeakPolarHBondContact O-CG2 3.43Å; M119-V150 HydrophobicContact SD-CG1 4.35Å |
| 120 | Q | 86.7 | Confident | 85.9 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 18% | 0.182 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 176.3 | -167 | 174.5 | 19.5 | 0 | 0 | 112.4 | K79 V82 D83 S116 L117 I118 G123 K124 | K79-Q120 VanDerWaalsContact CB-OE1 3.26Å; K79-Q120 VanDerWaalsContact CG-OE1 3.26Å; V82-Q120 HydrophobicContact CG1-CG 4.03Å; D83-Q120 PolarHBondContact OD1-NE2 3.47Å; D83-Q120 PolarHBondContact OD2-NE2 2.92Å; S116-Q120 WeakPolarHBondContact O-CB 3.09Å; S116-Q120 PolarHBondContact O-N 3.37Å; L117-Q120 PolarHBondContact O-N 3.17Å; I118-Q120 PolarHBondContact O-N 2.98Å; Q120-G123 PolarHBondContact O-N 3.35Å; Q120-K124 WeakPolarHBondContact O-CG 3.37Å; Q120-K124 PolarHBondContact O-N 2.87Å |
| 121 | V | 88.2 | Confident | 85.8 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.6 | -41 | 175 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | V82 W98 L101 I102 L117 I118 G123 K124 M125 | V82-V121 HydrophobicContact CG1-CG2 4.17Å; V82-V121 HydrophobicContact CG2-CG2 3.91Å; W98-V121 HydrophobicContact CB-CG1 4.05Å; W98-V121 HydrophobicContact CD2-CG1 4.26Å; W98-V121 HydrophobicContact CE3-CG1 3.93Å; W98-V121 HydrophobicContact CG-CG1 4.34Å; L101-V121 HydrophobicContact CB-CG1 4.37Å; L101-V121 HydrophobicContact CD2-CG2 4.38Å; I102-V121 HydrophobicContact CD1-CB 4.09Å; I102-V121 HydrophobicContact CD1-CG1 3.77Å; I102-V121 HydrophobicContact CG1-CG1 3.86Å; L117-V121 HydrophobicContact CD1-CG2 4.09Å; L117-V121 WeakPolarHBondContact O-CG2 3.39Å; L117-V121 PolarHBondContact O-N 3.04Å; I118-V121 PolarHBondContact O-N 2.94Å; V121-G123 VanDerWaalsContact C-N 3.27Å; V121-G123 PolarHBondContact O-N 3.1Å; V121-K124 PolarHBondContact O-N 3.17Å; V121-M125 PolarHBondContact O-N 2.98Å |
| 122 | L | 86.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 172.1 | -73.5 | 171.1 | 0 | 0 | 0 | 111.5 | I102 I118 M119 K124 M125 I128 I136 V150 | I102-L122 HydrophobicContact CD1-CD2 3.83Å; I102-L122 HydrophobicContact CD1-CG 3.79Å; I102-L122 HydrophobicContact CG1-CD2 4.02Å; I102-L122 HydrophobicContact CG1-CG 4.47Å; I102-L122 HydrophobicContact CG2-CD2 4.23Å; I118-L122 HydrophobicContact CG2-CD1 4.22Å; I118-L122 WeakPolarHBondContact O-CG 3.33Å; I118-L122 PolarHBondContact O-N 3.48Å; M119-L122 PolarHBondContact O-N 3.02Å; M119-L122 HydrophobicContact SD-CD1 4.1Å; L122-K124 VanDerWaalsContact C-N 3.28Å; L122-K124 PolarHBondContact O-N 3.22Å; L122-M125 HydrophobicContact CD2-SD 4.36Å; L122-M125 WeakPolarHBondContact O-CB 3.23Å; L122-M125 PolarHBondContact O-N 2.93Å; L122-M125 VanDerWaalsContact O-N 3.12Å; L122-I128 HydrophobicContact CB-CD1 4.11Å; L122-I128 HydrophobicContact CD2-CD1 4.39Å; L122-I128 HydrophobicContact CD2-CG1 4.43Å; L122-I128 HydrophobicContact CD2-CG2 4.08Å; L122-I136 HydrophobicContact CD1-CD1 3.87Å; L122-V150 HydrophobicContact CB-CG2 3.83Å |
| 123 | G | 85.3 | Confident | 85.8 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 17% | 0.165 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.4 | -18.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | M119 Q120 V121 P149 | M119-G123 PolarHBondContact O-N 3.5Å; Q120-G123 PolarHBondContact O-N 3.35Å; V121-G123 VanDerWaalsContact C-N 3.27Å; V121-G123 PolarHBondContact O-N 3.1Å; G123-P149 WeakPolarHBondContact O-CB 3.39Å |
| 124 | K | 83.6 | Confident | 86 | Confident | 78 Ų | 78 | 50 Ų | 50 | 34% | 0.339 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | -2.8 | 171.8 | -57.3 | -69.4 | -176.3 | 176 | 0 | 112.9 | V82 D83 Q95 Q120 V121 L122 | V82-K124 HydrophobicContact CG1-CG 3.71Å; V82-K124 WeakPolarHBondContact O-CE 3.31Å; D83-K124 WeakPolarHBondContact OD1-CE 3.37Å; D83-K124 IonicContact OD1-NZ 3.28Å; D83-K124 PolarHBondContact OD1-NZ 2.94Å; Q95-K124 PolarHBondContact NE2-O 3.21Å; Q120-K124 WeakPolarHBondContact O-CG 3.37Å; Q120-K124 PolarHBondContact O-N 2.87Å; V121-K124 PolarHBondContact O-N 3.17Å; L122-K124 VanDerWaalsContact C-N 3.28Å; L122-K124 PolarHBondContact O-N 3.22Å |
| 125 | M | 82.3 | Confident | 86 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | trans | -77.7 | 153.9 | 172.9 | -72.4 | 179.3 | 48.5 | 0 | 0 | 110.8 | Q95 W98 Q99 I102 V121 L122 S127 H153 | Q95-M125 VanDerWaalsContact OE1-CA 3.3Å; W98-M125 HydrophobicContact CB-CG 3.69Å; W98-M125 HydrophobicContact CB-SD 4.2Å; W98-M125 HydrophobicContact CG-CG 4.42Å; Q99-M125 HydrophobicContact CG-CE 3.87Å; I102-M125 HydrophobicContact CB-SD 4.42Å; I102-M125 HydrophobicContact CG1-SD 3.69Å; V121-M125 PolarHBondContact O-N 2.98Å; L122-M125 HydrophobicContact CD2-SD 4.36Å; L122-M125 WeakPolarHBondContact O-CB 3.23Å; L122-M125 PolarHBondContact O-N 2.93Å; L122-M125 VanDerWaalsContact O-N 3.12Å; M125-S127 WeakPolarHBondContact CE-O 3.29Å; M125-H153 PolarHBondContact O-CE1 3.04Å; M125-H153 PolarHBondContact O-NE2 3.05Å; M125-H153 VanDerWaalsContact O-NE2 3.16Å | ||
| 126 | N | 80.6 | Confident | 86 | Confident | 110 Ų | 110 | 48 Ų | 48 | 59% | 0.588 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -96.6 | -6 | 176.8 | 69.3 | -29.9 | 0 | 0 | 0 | 113.7 | Q95 | Q95-N126 PolarHBondContact OE1-OD1 3.21Š|
| 127 | S | 81.7 | Confident | 86 | Confident | 71 Ų | 71 | 46.6 Ų | 46.6 | 50% | 0.497 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -162.5 | 117.6 | 175.8 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | M125 | M125-S127 WeakPolarHBondContact CE-O 3.29Š|
| 128 | I | 85 | Confident | 86.1 | Confident | 18 Ų | 18 | 51.6 Ų | 51.6 | 9% | 0.092 | 26% | 0.257 | C | S | . | . | trans | -89.9 | 134.8 | 174.1 | -56 | -179.8 | 0 | 0 | 0 | 107.9 | L122 H132 V133 V150 H153 | L122-I128 HydrophobicContact CB-CD1 4.11Å; L122-I128 HydrophobicContact CD2-CD1 4.39Å; L122-I128 HydrophobicContact CD2-CG1 4.43Å; L122-I128 HydrophobicContact CD2-CG2 4.08Å; I128-H132 HydrophobicContact CG2-CB 4.03Å; I128-V133 HydrophobicContact CB-CG2 4.07Å; I128-V133 HydrophobicContact CG2-CG2 3.72Å; I128-V150 HydrophobicContact CD1-CG1 4.26Å; I128-H153 HydrophobicContact CD1-CB 3.7Å; I128-H153 HydrophobicContact CG1-CB 4.11Å | ||
| 129 | K | 84.2 | Confident | 86.1 | Confident | 107 Ų | 107 | 52.9 Ų | 52.9 | 47% | 0.465 | 26% | 0.264 | S | S | . | . | trans | -69.8 | 133 | 176.6 | -60.7 | -173.5 | -178.9 | -176.3 | 0 | 109.6 | R131 H132 V133 | K129-R131 VanDerWaalsContact C-N 3.27Å; K129-R131 HydrophobicContact CB-CG 4.01Å; K129-R131 PolarHBondContact O-N 2.85Å; K129-R131 VanDerWaalsContact O-N 3.15Å; K129-H132 WeakPolarHBondContact O-CA 3.44Å; K129-H132 WeakPolarHBondContact O-CB 3.12Å; K129-H132 PolarHBondContact O-N 2.9Å; K129-V133 PolarHBondContact O-N 3.16Å | ||
| 130 | E | 84.3 | Confident | 86.2 | Confident | 135 Ų | 135 | 60 Ų | 60 | 63% | 0.631 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -45.1 | -46.2 | -179.7 | -172.4 | 174.1 | -155.5 | 0 | 0 | 113.5 | H132 V133 N134 | E130-H132 PolarHBondContact O-N 3Å; E130-V133 WeakPolarHBondContact O-CA 3.38Å; E130-V133 WeakPolarHBondContact O-CB 3.39Å; E130-V133 PolarHBondContact O-N 3Å; E130-N134 PolarHBondContact O-N 2.93Å; E130-N134 PolarHBondContact O-OD1 3.37Å; E130-N134 VanDerWaalsContact O-OD1 3.07Å |
| 131 | R | 85.8 | Confident | 86.3 | Confident | 187 Ų | 187 | 62.8 Ų | 62.8 | 71% | 0.706 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -53.7 | -17.5 | 172.9 | 59.9 | 168.6 | -75 | 141.9 | 3.8 | 116.7 | K129 | K129-R131 VanDerWaalsContact C-N 3.27Å; K129-R131 HydrophobicContact CB-CG 4.01Å; K129-R131 PolarHBondContact O-N 2.85Å; K129-R131 VanDerWaalsContact O-N 3.15Å |
| 132 | H | 86.2 | Confident | 86.5 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 7% | 0.074 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -101.1 | -26.1 | 172.6 | -51.9 | 156.2 | 0 | 0 | 0 | 111.9 | I106 I128 K129 E130 I136 | I106-H132 HydrophobicContact CD1-CB 4.48Å; I128-H132 HydrophobicContact CG2-CB 4.03Å; K129-H132 WeakPolarHBondContact O-CA 3.44Å; K129-H132 WeakPolarHBondContact O-CB 3.12Å; K129-H132 PolarHBondContact O-N 2.9Å; E130-H132 PolarHBondContact O-N 3Å; H132-I136 WeakPolarHBondContact O-CD1 3.39Å; H132-I136 VanDerWaalsContact O-CG1 3.32Å; H132-I136 WeakPolarHBondContact O-CG1 3.25Å; H132-I136 PolarHBondContact O-N 3.27Å |
| 133 | V | 85.9 | Confident | 86.7 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.8 | -52.3 | 172.5 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | I128 K129 E130 L135 I136 V137 I154 H158 | I128-V133 HydrophobicContact CB-CG2 4.07Å; I128-V133 HydrophobicContact CG2-CG2 3.72Å; K129-V133 PolarHBondContact O-N 3.16Å; E130-V133 WeakPolarHBondContact O-CA 3.38Å; E130-V133 WeakPolarHBondContact O-CB 3.39Å; E130-V133 PolarHBondContact O-N 3Å; V133-L135 VanDerWaalsContact C-N 3.33Å; V133-L135 PolarHBondContact O-N 2.67Å; V133-I136 PolarHBondContact O-N 3.49Å; V133-V137 HydrophobicContact CG1-CG2 4.14Å; V133-V137 WeakPolarHBondContact O-CG2 3.24Å; V133-V137 PolarHBondContact O-N 3.46Å; V133-I154 HydrophobicContact CG1-CB 4.29Å; V133-I154 HydrophobicContact CG1-CG1 4.03Å; V133-I154 HydrophobicContact CG1-CG2 3.96Å; V133-H158 VanDerWaalsContact CG1-CD2 3.41Å; V133-H158 WeakPolarHBondContact CG1-CD2 3.21Å; V133-H158 VanDerWaalsContact CG1-NE2 3.26Å; V133-H158 WeakPolarHBondContact CG1-NE2 3.24Å |
| 134 | N | 87.4 | Confident | 86.9 | Confident | 62 Ų | 62 | 68 Ų | 68 | 33% | 0.332 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.5 | -48.3 | 179.2 | -58.3 | 18.5 | 0 | 0 | 0 | 110.4 | E130 I136 V137 D138 | E130-N134 PolarHBondContact O-N 2.93Å; E130-N134 PolarHBondContact O-OD1 3.37Å; E130-N134 VanDerWaalsContact O-OD1 3.07Å; N134-I136 PolarHBondContact O-N 3.04Å; N134-V137 PolarHBondContact O-N 2.85Å; N134-D138 WeakPolarHBondContact O-CB 3.28Å; N134-D138 PolarHBondContact O-N 2.87Å; N134-D138 VanDerWaalsContact O-OD2 3.06Å |
| 135 | L | 88.8 | Confident | 87.1 | Confident | 53 Ų | 53 | 68.7 Ų | 68.7 | 28% | 0.277 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -52.5 | -33 | 175.9 | -178.3 | 64.3 | 0 | 0 | 0 | 113.9 | I106 I109 V133 N139 | I106-L135 HydrophobicContact CG1-CD2 4.45Å; I109-L135 HydrophobicContact CG2-CD2 4.19Å; V133-L135 VanDerWaalsContact C-N 3.33Å; V133-L135 PolarHBondContact O-N 2.67Å; L135-N139 PolarHBondContact O-ND2 2.83Å |
| 136 | I | 89.1 | Confident | 87.6 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -82.4 | -42.7 | 176.8 | -65.6 | 167.3 | 0 | 0 | 0 | 111 | I109 M119 L122 H132 V133 N134 N139 L142 V150 I154 | I109-I136 HydrophobicContact CD1-CD1 4.18Å; I109-I136 HydrophobicContact CD1-CG1 3.95Å; M119-I136 HydrophobicContact CE-CD1 4.06Å; M119-I136 HydrophobicContact CE-CG1 4.09Å; M119-I136 HydrophobicContact CE-CG2 4.27Å; M119-I136 HydrophobicContact SD-CD1 4.01Å; L122-I136 HydrophobicContact CD1-CD1 3.87Å; H132-I136 WeakPolarHBondContact O-CD1 3.39Å; H132-I136 VanDerWaalsContact O-CG1 3.32Å; H132-I136 WeakPolarHBondContact O-CG1 3.25Å; H132-I136 PolarHBondContact O-N 3.27Å; V133-I136 PolarHBondContact O-N 3.49Å; N134-I136 PolarHBondContact O-N 3.04Å; I136-N139 CarbonylContact O-C 3.58Å; I136-N139 PolarHBondContact O-N 3.3Å; I136-N139 VanDerWaalsContact O-O 3.04Å; I136-L142 HydrophobicContact CG2-CB 4.17Å; I136-V150 HydrophobicContact CD1-CG1 4.34Å; I136-I154 HydrophobicContact CB-CD1 4.22Å; I136-I154 HydrophobicContact CG2-CD1 3.68Å |
| 137 | V | 87.9 | Confident | 88.1 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 21% | 0.212 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 179.5 | 174.7 | 0 | 0 | 0 | 0 | 112.1 | V133 N134 N139 I154 K161 | V133-V137 HydrophobicContact CG1-CG2 4.14Å; V133-V137 WeakPolarHBondContact O-CG2 3.24Å; V133-V137 PolarHBondContact O-N 3.46Å; N134-V137 PolarHBondContact O-N 2.85Å; V137-N139 VanDerWaalsContact C-N 3.27Å; V137-N139 PolarHBondContact O-N 3.11Å; V137-I154 HydrophobicContact CG2-CG2 3.58Å; V137-K161 HydrophobicContact CG1-CG 4.43Å |
| 138 | D | 89.3 | Confident | 88.6 | Confident | 128 Ų | 128 | 64.8 Ų | 64.8 | 68% | 0.684 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -70.8 | -22.6 | 178.8 | -59.9 | -28 | 0 | 0 | 0 | 112.3 | N134 | N134-D138 WeakPolarHBondContact O-CB 3.28Å; N134-D138 PolarHBondContact O-N 2.87Å; N134-D138 VanDerWaalsContact O-OD2 3.06Å |
| 139 | N | 91.2 | Very high | 88.8 | Confident | 38 Ų | 38 | 66.8 Ų | 66.8 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -108.8 | 95.5 | -179.5 | -77.6 | -91.5 | 0 | 0 | 0 | 110.4 | L135 I136 V137 Y141 L142 Y143 | L135-N139 PolarHBondContact O-ND2 2.83Å; I136-N139 CarbonylContact O-C 3.58Å; I136-N139 PolarHBondContact O-N 3.3Å; I136-N139 VanDerWaalsContact O-O 3.04Å; V137-N139 VanDerWaalsContact C-N 3.27Å; V137-N139 PolarHBondContact O-N 3.11Å; N139-Y141 VanDerWaalsContact C-N 3.29Å; N139-Y141 HydrophobicContact CB-CE1 3.94Å; N139-Y141 PolarHBondContact O-N 3.44Å; N139-Y141 VanDerWaalsContact O-N 3.08Å; N139-Y141 WeakPolarHBondContact OD1-CE1 3.44Å; N139-Y141 PolarHBondContact OD1-OH 3.21Å; N139-L142 HydrophobicContact CB-CB 3.99Å; N139-L142 HydrophobicContact CB-CD1 3.81Å; N139-L142 HydrophobicContact CB-CG 3.77Å; N139-L142 WeakPolarHBondContact O-CA 3.43Å; N139-L142 WeakPolarHBondContact O-CB 3.47Å; N139-L142 PolarHBondContact O-N 3.42Å; N139-Y143 PolarHBondContact O-N 2.91Å |
| 140 | K | 89.4 | Confident | 89.1 | Confident | 153 Ų | 153 | 61.7 Ų | 61.7 | 67% | 0.665 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -43.2 | -49.4 | -178.6 | 178.7 | 174 | 177.3 | -178.7 | 0 | 114.1 | L142 Y143 D144 | K140-L142 VanDerWaalsContact C-N 3.26Å; K140-L142 PolarHBondContact O-N 3.42Å; K140-Y143 PolarHBondContact O-N 3.14Å; K140-D144 WeakPolarHBondContact CE-OD2 3.11Å; K140-D144 VanDerWaalsContact CG-OD2 3.28Å; K140-D144 WeakPolarHBondContact CG-OD2 3.32Å; K140-D144 WeakPolarHBondContact O-CB 3.43Å; K140-D144 VanDerWaalsContact O-CG 3.29Å; K140-D144 PolarHBondContact O-N 3.43Å |
| 141 | Y | 90.9 | Very high | 89.6 | Confident | 97 Ų | 97 | 55.9 Ų | 55.9 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70 | -13.7 | -179.5 | 66.3 | -88.6 | 0 | 0 | 0 | 114.7 | H110 N139 D145 | H110-Y141 AromaticContact ND1-CZ 3.98Å; H110-Y141 PolarHBondContact ND1-OH 3.33Å; N139-Y141 VanDerWaalsContact C-N 3.29Å; N139-Y141 HydrophobicContact CB-CE1 3.94Å; N139-Y141 PolarHBondContact O-N 3.44Å; N139-Y141 VanDerWaalsContact O-N 3.08Å; N139-Y141 WeakPolarHBondContact OD1-CE1 3.44Å; N139-Y141 PolarHBondContact OD1-OH 3.21Å; Y141-D145 WeakPolarHBondContact O-CB 3.35Å |
| 142 | L | 91.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -86 | -30 | 168.4 | -64.6 | -173.4 | 0 | 0 | 0 | 111.6 | I109 R115 M119 I136 N139 K140 A146 | I109-L142 HydrophobicContact CD1-CD1 4.16Å; I109-L142 HydrophobicContact CG1-CD1 4.15Å; I109-L142 HydrophobicContact CG1-CD2 4.21Å; I109-L142 HydrophobicContact CG2-CD1 4.21Å; R115-L142 HydrophobicContact CG-CD2 4.14Å; M119-L142 HydrophobicContact CE-CB 4.07Å; M119-L142 HydrophobicContact CE-CD2 4.43Å; M119-L142 VanDerWaalsContact CE-O 3.25Å; M119-L142 WeakPolarHBondContact CE-O 3.48Å; I136-L142 HydrophobicContact CG2-CB 4.17Å; N139-L142 HydrophobicContact CB-CB 3.99Å; N139-L142 HydrophobicContact CB-CD1 3.81Å; N139-L142 HydrophobicContact CB-CG 3.77Å; N139-L142 WeakPolarHBondContact O-CA 3.43Å; N139-L142 WeakPolarHBondContact O-CB 3.47Å; N139-L142 PolarHBondContact O-N 3.42Å; K140-L142 VanDerWaalsContact C-N 3.26Å; K140-L142 PolarHBondContact O-N 3.42Å; L142-A146 PolarHBondContact O-N 2.72Å |
| 143 | Y | 91.9 | Very high | 90.1 | Very high | 26 Ų | 26 | 52.1 Ų | 52.1 | 10% | 0.102 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76.3 | -44.8 | 174.8 | -174.8 | -94.4 | 0 | 0 | 0 | 111.8 | N139 K140 D145 A146 L151 I154 W155 E165 | N139-Y143 PolarHBondContact O-N 2.91Å; K140-Y143 PolarHBondContact O-N 3.14Å; Y143-D145 VanDerWaalsContact C-N 3.28Å; Y143-D145 PolarHBondContact O-N 2.85Å; Y143-A146 VanDerWaalsContact O-CB 3.24Å; Y143-A146 WeakPolarHBondContact O-CB 3.47Å; Y143-A146 PolarHBondContact O-N 3.41Å; Y143-L151 HydrophobicContact CD2-CD2 3.83Å; Y143-L151 HydrophobicContact CE1-CD2 4.37Å; Y143-L151 HydrophobicContact CE2-CD2 3.48Å; Y143-L151 VanDerWaalsContact CE2-CD2 3.48Å; Y143-L151 HydrophobicContact CG-CD2 4.41Å; Y143-I154 HydrophobicContact CD2-CD1 4.49Å; Y143-I154 HydrophobicContact CE2-CG2 4.32Å; Y143-W155 PolarHBondContact OH-NE1 2.84Å; Y143-W155 VanDerWaalsContact OH-NE1 3.09Å; Y143-E165 WeakPolarHBondContact OH-CG 3.21Å |
| 144 | D | 88.6 | Confident | 90.3 | Very high | 104 Ų | 104 | 52 Ų | 52 | 56% | 0.556 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.8 | -33.9 | 177.8 | -65.8 | -12.1 | 0 | 0 | 0 | 111.7 | K140 | K140-D144 WeakPolarHBondContact CE-OD2 3.11Å; K140-D144 VanDerWaalsContact CG-OD2 3.28Å; K140-D144 WeakPolarHBondContact CG-OD2 3.32Å; K140-D144 WeakPolarHBondContact O-CB 3.43Å; K140-D144 VanDerWaalsContact O-CG 3.29Å; K140-D144 PolarHBondContact O-N 3.43Å |
| 145 | D | 88.4 | Confident | 90.6 | Very high | 91 Ų | 91 | 49.2 Ų | 49.2 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -7 | 174.2 | -84 | 2.3 | 0 | 0 | 0 | 114 | R115 Y141 Y143 | R115-D145 WeakPolarHBondContact CD-OD2 3.41Å; R115-D145 IonicContact CZ-OD2 2.9Å; R115-D145 IonicContact NE-OD2 2.79Å; R115-D145 IonicContact NH1-OD2 3.64Å; R115-D145 PolarHBondContact NH1-OD2 2.91Å; Y141-D145 WeakPolarHBondContact O-CB 3.35Å; Y143-D145 VanDerWaalsContact C-N 3.28Å; Y143-D145 PolarHBondContact O-N 2.85Å |
| 146 | A | 91.4 | Very high | 90.7 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | trans | -75.3 | 126.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L142 Y143 V150 L151 | L142-A146 PolarHBondContact O-N 2.72Å; Y143-A146 VanDerWaalsContact O-CB 3.24Å; Y143-A146 WeakPolarHBondContact O-CB 3.47Å; Y143-A146 PolarHBondContact O-N 3.41Å; A146-V150 HydrophobicContact CB-CG1 4.45Å; A146-L151 HydrophobicContact CB-CD1 4.43Å; A146-L151 HydrophobicContact CB-CD2 3.83Å; A146-L151 HydrophobicContact CB-CG 3.78Å; A146-L151 WeakPolarHBondContact O-CD1 3.42Å | ||
| 147 | P | 91.5 | Very high | 90.6 | Very high | 53 Ų | 53 | 52.9 Ų | 52.9 | 34% | 0.344 | 28% | 0.278 | S | S | . | . | trans | -72.4 | 151.7 | 178.1 | 31.4 | -35.5 | 0 | 0 | 0 | 110.8 | M119 P149 V150 L151 | M119-P147 HydrophobicContact CB-CG 3.97Å; P147-P149 VanDerWaalsContact C-CD 3.4Å; P147-P149 VanDerWaalsContact C-N 3.33Å; P147-P149 VanDerWaalsContact O-N 3.09Å; P147-V150 HydrophobicContact CG-CB 4.41Å; P147-V150 HydrophobicContact CG-CG2 3.96Å; P147-V150 WeakPolarHBondContact O-CA 3.26Å; P147-V150 WeakPolarHBondContact O-CB 3.14Å; P147-V150 PolarHBondContact O-N 3.3Å; P147-L151 PolarHBondContact O-N 3.33Å; P147-L151 VanDerWaalsContact O-N 3.11Å | ||
| 148 | L | 91.5 | Very high | 90.7 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -50.4 | -38.2 | -173.2 | -56 | 178.3 | 0 | 0 | 0 | 115.5 | V150 L151 R152 R218 E221 | L148-V150 VanDerWaalsContact C-N 3.27Å; L148-V150 PolarHBondContact O-N 3.15Å; L148-L151 HydrophobicContact CD2-CD1 4.26Å; L148-L151 PolarHBondContact O-N 2.85Å; L148-R152 WeakPolarHBondContact O-CB 3.42Å; L148-R152 VanDerWaalsContact O-CG 3.28Å; L148-R152 WeakPolarHBondContact O-CG 3.48Å; L148-R152 PolarHBondContact O-N 3.11Å; L148-R218 VanDerWaalsContact CD2-NH1 3.33Å; L148-R218 VanDerWaalsContact CD2-NH2 3.26Å; L148-E221 HydrophobicContact CD1-CB 3.98Å |
| 149 | P | 89.3 | Confident | 90.7 | Very high | 59 Ų | 59 | 49.7 Ų | 49.7 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.5 | -28.3 | 175.7 | -24 | 36.2 | 0 | 0 | 0 | 114.3 | G123 P147 H153 | G123-P149 WeakPolarHBondContact O-CB 3.39Å; P147-P149 VanDerWaalsContact C-CD 3.4Å; P147-P149 VanDerWaalsContact C-N 3.33Å; P147-P149 VanDerWaalsContact O-N 3.09Å; P149-H153 PolarHBondContact O-ND1 3.26Å |
| 150 | V | 91.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -76.8 | -50.8 | 171.4 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | M119 L122 I128 I136 A146 P147 L148 R152 H153 I154 | M119-V150 WeakPolarHBondContact O-CG2 3.43Å; M119-V150 HydrophobicContact SD-CG1 4.35Å; L122-V150 HydrophobicContact CB-CG2 3.83Å; I128-V150 HydrophobicContact CD1-CG1 4.26Å; I136-V150 HydrophobicContact CD1-CG1 4.34Å; A146-V150 HydrophobicContact CB-CG1 4.45Å; P147-V150 HydrophobicContact CG-CB 4.41Å; P147-V150 HydrophobicContact CG-CG2 3.96Å; P147-V150 WeakPolarHBondContact O-CA 3.26Å; P147-V150 WeakPolarHBondContact O-CB 3.14Å; P147-V150 PolarHBondContact O-N 3.3Å; L148-V150 VanDerWaalsContact C-N 3.27Å; L148-V150 PolarHBondContact O-N 3.15Å; V150-R152 VanDerWaalsContact C-N 3.28Å; V150-R152 PolarHBondContact O-N 2.86Å; V150-H153 WeakPolarHBondContact O-CB 3.39Å; V150-H153 PolarHBondContact O-N 3.09Å; V150-I154 HydrophobicContact CG1-CD1 4.02Å; V150-I154 HydrophobicContact CG1-CG1 4.34Å; V150-I154 WeakPolarHBondContact O-CG1 3.39Å; V150-I154 PolarHBondContact O-N 3.1Å |
| 151 | L | 93.4 | Very high | 90.9 | Very high | 14 Ų | 14 | 47.7 Ų | 47.7 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -55.4 | -41.3 | 179.4 | -74.2 | 173.2 | 0 | 0 | 0 | 112.5 | Y143 A146 P147 L148 H153 I154 W155 | Y143-L151 HydrophobicContact CD2-CD2 3.83Å; Y143-L151 HydrophobicContact CE1-CD2 4.37Å; Y143-L151 HydrophobicContact CE2-CD2 3.48Å; Y143-L151 VanDerWaalsContact CE2-CD2 3.48Å; Y143-L151 HydrophobicContact CG-CD2 4.41Å; A146-L151 HydrophobicContact CB-CD1 4.43Å; A146-L151 HydrophobicContact CB-CD2 3.83Å; A146-L151 HydrophobicContact CB-CG 3.78Å; A146-L151 WeakPolarHBondContact O-CD1 3.42Å; P147-L151 PolarHBondContact O-N 3.33Å; P147-L151 VanDerWaalsContact O-N 3.11Å; L148-L151 HydrophobicContact CD2-CD1 4.26Å; L148-L151 PolarHBondContact O-N 2.85Å; L151-H153 VanDerWaalsContact C-N 3.32Å; L151-H153 PolarHBondContact O-N 3.16Å; L151-I154 CarbonylContact O-C 3.16Å; L151-I154 WeakPolarHBondContact O-CB 3.17Å; L151-I154 PolarHBondContact O-N 3.13Å; L151-I154 VanDerWaalsContact O-N 3.1Å; L151-W155 HydrophobicContact CB-CD2 4.18Å; L151-W155 HydrophobicContact CB-CE3 4.23Å; L151-W155 HydrophobicContact CB-CH2 3.77Å; L151-W155 HydrophobicContact CB-CZ2 3.73Å; L151-W155 HydrophobicContact CB-CZ3 4.02Å; L151-W155 HydrophobicContact CD1-CH2 4.08Å; L151-W155 HydrophobicContact CD1-CZ2 3.96Å; L151-W155 HydrophobicContact CD2-CZ2 4.28Å; L151-W155 HydrophobicContact CG-CH2 4.49Å; L151-W155 HydrophobicContact CG-CZ2 4.22Å; L151-W155 WeakPolarHBondContact O-CB 3.26Å; L151-W155 VanDerWaalsContact O-CD2 3.27Å; L151-W155 PolarHBondContact O-N 3.34Å |
| 152 | R | 93.1 | Very high | 91.1 | Very high | 72 Ų | 72 | 43.1 Ų | 43.1 | 27% | 0.272 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.5 | -39.9 | 174 | -73.8 | 178.6 | -166.7 | 158 | 3.6 | 113.1 | L148 V150 W155 V156 E221 M222 L229 | L148-R152 WeakPolarHBondContact O-CB 3.42Å; L148-R152 VanDerWaalsContact O-CG 3.28Å; L148-R152 WeakPolarHBondContact O-CG 3.48Å; L148-R152 PolarHBondContact O-N 3.11Å; V150-R152 VanDerWaalsContact C-N 3.28Å; V150-R152 PolarHBondContact O-N 2.86Å; R152-W155 HydrophobicContact CG-CE3 4.24Å; R152-W155 HydrophobicContact CG-CZ3 4.34Å; R152-W155 PolarHBondContact O-N 2.8Å; R152-V156 WeakPolarHBondContact O-CG2 3.42Å; R152-V156 PolarHBondContact O-N 3.16Å; R152-E221 PolarHBondContact NE-O 3.21Å; R152-E221 PolarHBondContact NH2-O 2.91Å; R152-M222 VanDerWaalsContact CG-O 3.24Å; R152-M222 WeakPolarHBondContact CG-O 3.5Å; R152-M222 PolarHBondContact NE-O 2.94Å; R152-M222 VanDerWaalsContact NE-O 3.15Å; R152-L229 HydrophobicContact CB-CD1 3.9Å; R152-L229 HydrophobicContact CG-CD1 3.74Å |
| 153 | H | 89.6 | Confident | 91.3 | Very high | 52 Ų | 52 | 46.5 Ų | 46.5 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.4 | -41.1 | 174.2 | -78.7 | 96.3 | 0 | 0 | 0 | 112 | M125 I128 P149 V150 L151 W155 V156 A157 | M125-H153 PolarHBondContact O-CE1 3.04Å; M125-H153 PolarHBondContact O-NE2 3.05Å; M125-H153 VanDerWaalsContact O-NE2 3.16Å; I128-H153 HydrophobicContact CD1-CB 3.7Å; I128-H153 HydrophobicContact CG1-CB 4.11Å; P149-H153 PolarHBondContact O-ND1 3.26Å; V150-H153 WeakPolarHBondContact O-CB 3.39Å; V150-H153 PolarHBondContact O-N 3.09Å; L151-H153 VanDerWaalsContact C-N 3.32Å; L151-H153 PolarHBondContact O-N 3.16Å; H153-W155 VanDerWaalsContact C-N 3.34Å; H153-V156 PolarHBondContact O-N 3.33Å; H153-A157 PolarHBondContact O-N 3.49Å; H153-A157 VanDerWaalsContact O-N 3.13Å |
| 154 | I | 91.3 | Very high | 91.4 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 175.6 | -59.3 | -176.1 | 0 | 0 | 0 | 110.3 | V133 I136 V137 Y143 V150 L151 A157 H158 | V133-I154 HydrophobicContact CG1-CB 4.29Å; V133-I154 HydrophobicContact CG1-CG1 4.03Å; V133-I154 HydrophobicContact CG1-CG2 3.96Å; I136-I154 HydrophobicContact CB-CD1 4.22Å; I136-I154 HydrophobicContact CG2-CD1 3.68Å; V137-I154 HydrophobicContact CG2-CG2 3.58Å; Y143-I154 HydrophobicContact CD2-CD1 4.49Å; Y143-I154 HydrophobicContact CE2-CG2 4.32Å; V150-I154 HydrophobicContact CG1-CD1 4.02Å; V150-I154 HydrophobicContact CG1-CG1 4.34Å; V150-I154 WeakPolarHBondContact O-CG1 3.39Å; V150-I154 PolarHBondContact O-N 3.1Å; L151-I154 CarbonylContact O-C 3.16Å; L151-I154 WeakPolarHBondContact O-CB 3.17Å; L151-I154 PolarHBondContact O-N 3.13Å; L151-I154 VanDerWaalsContact O-N 3.1Å; I154-A157 PolarHBondContact O-N 3.48Å; I154-H158 WeakPolarHBondContact O-CB 3.28Å; I154-H158 PolarHBondContact O-N 2.97Å |
| 155 | W | 93.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.011 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68.2 | -34.6 | -179.8 | -68.8 | -22.9 | 0 | 0 | 0 | 114 | Y143 L151 R152 H153 H158 F162 E165 M222 L229 | Y143-W155 PolarHBondContact OH-NE1 2.84Å; Y143-W155 VanDerWaalsContact OH-NE1 3.09Å; L151-W155 HydrophobicContact CB-CD2 4.18Å; L151-W155 HydrophobicContact CB-CE3 4.23Å; L151-W155 HydrophobicContact CB-CH2 3.77Å; L151-W155 HydrophobicContact CB-CZ2 3.73Å; L151-W155 HydrophobicContact CB-CZ3 4.02Å; L151-W155 HydrophobicContact CD1-CH2 4.08Å; L151-W155 HydrophobicContact CD1-CZ2 3.96Å; L151-W155 HydrophobicContact CD2-CZ2 4.28Å; L151-W155 HydrophobicContact CG-CH2 4.49Å; L151-W155 HydrophobicContact CG-CZ2 4.22Å; L151-W155 WeakPolarHBondContact O-CB 3.26Å; L151-W155 VanDerWaalsContact O-CD2 3.27Å; L151-W155 PolarHBondContact O-N 3.34Å; R152-W155 HydrophobicContact CG-CE3 4.24Å; R152-W155 HydrophobicContact CG-CZ3 4.34Å; R152-W155 PolarHBondContact O-N 2.8Å; H153-W155 VanDerWaalsContact C-N 3.34Å; W155-H158 CarbonylContact O-C 3.6Å; W155-F162 HydrophobicContact CB-CB 3.76Å; W155-F162 HydrophobicContact CB-CD2 3.76Å; W155-F162 HydrophobicContact CB-CG 4.07Å; W155-F162 AromaticContact CD2-CD2 3.68Å; W155-F162 HydrophobicContact CD2-CD2 3.68Å; W155-F162 HydrophobicContact CD2-CE2 4.4Å; W155-F162 AromaticContact CE3-CD2 3.83Å; W155-F162 HydrophobicContact CE3-CD2 3.83Å; W155-F162 HydrophobicContact CE3-CE2 4.1Å; W155-F162 HydrophobicContact CG-CB 3.88Å; W155-F162 AromaticContact CG-CD2 3.65Å; W155-F162 HydrophobicContact CG-CD2 3.65Å; W155-F162 HydrophobicContact CG-CG 4.22Å; W155-E165 HydrophobicContact CZ2-CB 4.4Å; W155-E165 HydrophobicContact CZ2-CG 4.11Å; W155-M222 HydrophobicContact CH2-CB 4.26Å; W155-M222 HydrophobicContact CH2-CE 4.11Å; W155-M222 HydrophobicContact CH2-CG 3.75Å; W155-M222 HydrophobicContact CZ2-CE 4.31Å; W155-M222 HydrophobicContact CZ3-CB 3.84Å; W155-M222 HydrophobicContact CZ3-CE 4.4Å; W155-M222 HydrophobicContact CZ3-CG 3.87Å; W155-L229 HydrophobicContact CB-CD2 3.81Å; W155-L229 HydrophobicContact CE3-CD1 4.47Å |
| 156 | V | 90.3 | Very high | 92.1 | Very high | 74 Ų | 74 | 41.9 Ų | 41.9 | 45% | 0.448 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.8 | -37 | 171.3 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | R152 H153 V228 L229 | R152-V156 WeakPolarHBondContact O-CG2 3.42Å; R152-V156 PolarHBondContact O-N 3.16Å; H153-V156 PolarHBondContact O-N 3.33Å; V156-V228 HydrophobicContact CG1-CG1 4.49Å; V156-V228 HydrophobicContact CG2-CB 4.47Å; V156-V228 HydrophobicContact CG2-CG1 4.49Å; V156-L229 HydrophobicContact CG2-CD1 4.32Å; V156-L229 HydrophobicContact CG2-CD2 3.79Å; V156-L229 HydrophobicContact CG2-CG 3.84Å |
| 157 | A | 86.6 | Confident | 92.4 | Very high | 56 Ų | 56 | 43.1 Ų | 43.1 | 46% | 0.463 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -76.4 | -32.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | H153 I154 | H153-A157 PolarHBondContact O-N 3.49Å; H153-A157 VanDerWaalsContact O-N 3.13Å; I154-A157 PolarHBondContact O-N 3.48Å |
| 158 | H | 89.9 | Confident | 92.6 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 16% | 0.162 | 23% | 0.233 | C | C | . | . | trans | -131.9 | 81.2 | -175 | -58.3 | -36.6 | 0 | 0 | 0 | 111.2 | V133 I154 W155 H160 K161 F162 | V133-H158 VanDerWaalsContact CG1-CD2 3.41Å; V133-H158 WeakPolarHBondContact CG1-CD2 3.21Å; V133-H158 VanDerWaalsContact CG1-NE2 3.26Å; V133-H158 WeakPolarHBondContact CG1-NE2 3.24Å; I154-H158 WeakPolarHBondContact O-CB 3.28Å; I154-H158 PolarHBondContact O-N 2.97Å; W155-H158 CarbonylContact O-C 3.6Å; H158-H160 PolarHBondContact O-N 3.31Å; H158-K161 PolarHBondContact O-N 2.93Å; H158-F162 PolarHBondContact O-N 2.79Å | ||
| 159 | P | 89.7 | Confident | 92.8 | Very high | 61 Ų | 61 | 44 Ų | 44 | 40% | 0.396 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.1 | -19.1 | -176.4 | -27 | 36.2 | 0 | 0 | 0 | 115.1 | F162 Q163 | P159-F162 WeakPolarHBondContact O-CB 3.48Å; P159-F162 PolarHBondContact O-N 3.47Å; P159-Q163 PolarHBondContact O-N 3.25Å |
| 160 | H | 92.9 | Very high | 93.2 | Very high | 102 Ų | 102 | 41.5 Ų | 41.5 | 47% | 0.472 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.3 | -41.2 | 174.9 | 70.4 | -93.2 | 0 | 0 | 0 | 111.9 | H158 F162 Q163 E164 | H158-H160 PolarHBondContact O-N 3.31Å; H160-F162 VanDerWaalsContact C-N 3.3Å; H160-F162 PolarHBondContact O-N 2.97Å; H160-Q163 PolarHBondContact O-N 3.21Å; H160-E164 IonicContact CD2-OE1 3.88Å; H160-E164 PolarHBondContact CD2-OE1 3.25Å; H160-E164 WeakPolarHBondContact O-CG 3.45Å; H160-E164 PolarHBondContact O-N 3.2Å |
| 161 | K | 92 | Very high | 93.4 | Very high | 47 Ų | 47 | 43.6 Ų | 43.6 | 20% | 0.204 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.1 | -32.4 | 173.9 | -69.3 | -65.4 | 164.1 | -140.7 | 0 | 112.4 | V137 H158 E164 E165 | V137-K161 HydrophobicContact CG1-CG 4.43Å; H158-K161 PolarHBondContact O-N 2.93Å; K161-E164 IonicContact NZ-OE1 3.55Å; K161-E164 PolarHBondContact NZ-OE1 2.98Å; K161-E164 IonicContact NZ-OE2 3.27Å; K161-E164 PolarHBondContact NZ-OE2 2.95Å; K161-E165 PolarHBondContact O-N 3.15Å |
| 162 | F | 95.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63 | -45.2 | 171.1 | -174.4 | -116.6 | 0 | 0 | 0 | 111.8 | W155 H158 P159 H160 E165 L166 M222 L229 K232 T233 I236 | W155-F162 HydrophobicContact CB-CB 3.76Å; W155-F162 HydrophobicContact CB-CD2 3.76Å; W155-F162 HydrophobicContact CB-CG 4.07Å; W155-F162 AromaticContact CD2-CD2 3.68Å; W155-F162 HydrophobicContact CD2-CD2 3.68Å; W155-F162 HydrophobicContact CD2-CE2 4.4Å; W155-F162 AromaticContact CE3-CD2 3.83Å; W155-F162 HydrophobicContact CE3-CD2 3.83Å; W155-F162 HydrophobicContact CE3-CE2 4.1Å; W155-F162 HydrophobicContact CG-CB 3.88Å; W155-F162 AromaticContact CG-CD2 3.65Å; W155-F162 HydrophobicContact CG-CD2 3.65Å; W155-F162 HydrophobicContact CG-CG 4.22Å; H158-F162 PolarHBondContact O-N 2.79Å; P159-F162 WeakPolarHBondContact O-CB 3.48Å; P159-F162 PolarHBondContact O-N 3.47Å; H160-F162 VanDerWaalsContact C-N 3.3Å; H160-F162 PolarHBondContact O-N 2.97Å; F162-E165 PolarHBondContact O-N 3.07Å; F162-L166 HydrophobicContact CE1-CD2 4.07Å; F162-L166 HydrophobicContact CZ-CD2 4.42Å; F162-L166 VanDerWaalsContact O-CB 3.31Å; F162-L166 WeakPolarHBondContact O-CB 3.48Å; F162-L166 PolarHBondContact O-N 2.98Å; F162-M222 HydrophobicContact CD2-CE 4.26Å; F162-M222 HydrophobicContact CE2-CB 4.43Å; F162-M222 HydrophobicContact CE2-CE 3.93Å; F162-L229 HydrophobicContact CD1-CD2 4.43Å; F162-L229 HydrophobicContact CD2-CD2 4.04Å; F162-L229 HydrophobicContact CE2-CD2 4.12Å; F162-L229 HydrophobicContact CG-CD2 4.19Å; F162-L229 HydrophobicContact CZ-CB 4.31Å; F162-L229 HydrophobicContact CZ-CD2 4.37Å; F162-K232 HydrophobicContact CD1-CB 4.48Å; F162-K232 HydrophobicContact CD1-CG 4.02Å; F162-K232 HydrophobicContact CE1-CB 4.38Å; F162-K232 HydrophobicContact CE1-CG 4.33Å; F162-T233 VanDerWaalsContact CZ-OG1 3.3Å; F162-T233 WeakPolarHBondContact CZ-OG1 3.41Å; F162-I236 HydrophobicContact CD1-CD1 4.18Å; F162-I236 HydrophobicContact CE1-CD1 4.41Å |
| 163 | Q | 95.7 | Very high | 93.5 | Very high | 72 Ų | 72 | 43 Ų | 43 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 178.4 | -175.8 | 171.4 | -17.4 | 0 | 0 | 112.3 | P159 H160 E165 L166 D167 I236 | P159-Q163 PolarHBondContact O-N 3.25Å; H160-Q163 PolarHBondContact O-N 3.21Å; Q163-E165 VanDerWaalsContact C-N 3.32Å; Q163-E165 PolarHBondContact O-N 2.58Å; Q163-L166 PolarHBondContact O-N 3.15Å; Q163-D167 PolarHBondContact NE2-OD2 2.7Å; Q163-D167 WeakPolarHBondContact O-CB 3.5Å; Q163-D167 PolarHBondContact O-N 2.84Å; Q163-I236 HydrophobicContact CB-CD1 3.86Å; Q163-I236 HydrophobicContact CG-CD1 3.97Å; Q163-I236 HydrophobicContact CG-CG1 4.39Å |
| 164 | E | 94.6 | Very high | 93.6 | Very high | 80 Ų | 80 | 42.9 Ų | 42.9 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -56 | -42.8 | 174.1 | -76.1 | 171 | -136.9 | 0 | 0 | 112.3 | H160 K161 K168 | H160-E164 IonicContact CD2-OE1 3.88Å; H160-E164 PolarHBondContact CD2-OE1 3.25Å; H160-E164 WeakPolarHBondContact O-CG 3.45Å; H160-E164 PolarHBondContact O-N 3.2Å; K161-E164 IonicContact NZ-OE1 3.55Å; K161-E164 PolarHBondContact NZ-OE1 2.98Å; K161-E164 IonicContact NZ-OE2 3.27Å; K161-E164 PolarHBondContact NZ-OE2 2.95Å; E164-K168 WeakPolarHBondContact O-CD 3.4Å; E164-K168 WeakPolarHBondContact O-CE 3.45Å; E164-K168 VanDerWaalsContact O-CG 3.28Å; E164-K168 WeakPolarHBondContact O-CG 3.45Å |
| 165 | E | 94.9 | Very high | 93.6 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 20% | 0.201 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -74 | -40.9 | 175.8 | -64.3 | -47.9 | 137.5 | 0 | 0 | 112.7 | Y143 W155 K161 F162 Q163 K168 V169 M222 | Y143-E165 WeakPolarHBondContact OH-CG 3.21Å; W155-E165 HydrophobicContact CZ2-CB 4.4Å; W155-E165 HydrophobicContact CZ2-CG 4.11Å; K161-E165 PolarHBondContact O-N 3.15Å; F162-E165 PolarHBondContact O-N 3.07Å; Q163-E165 VanDerWaalsContact C-N 3.32Å; Q163-E165 PolarHBondContact O-N 2.58Å; E165-K168 WeakPolarHBondContact O-CB 3.42Å; E165-K168 PolarHBondContact O-N 2.8Å; E165-K168 IonicContact OE1-NZ 3.19Å; E165-K168 PolarHBondContact OE1-NZ 3.35Å; E165-K168 IonicContact OE2-NZ 2.67Å; E165-K168 PolarHBondContact OE2-NZ 2.74Å; E165-K168 VanDerWaalsContact OE2-NZ 3.12Å; E165-V169 WeakPolarHBondContact O-CG2 3.28Å; E165-V169 PolarHBondContact O-N 2.89Å; E165-M222 HydrophobicContact CB-CE 3.72Å |
| 166 | L | 96.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.6 | -41.1 | -179.1 | -178.7 | 59.9 | 0 | 0 | 0 | 111.9 | F162 Q163 K168 V169 I170 I219 M222 T233 I236 | F162-L166 HydrophobicContact CE1-CD2 4.07Å; F162-L166 HydrophobicContact CZ-CD2 4.42Å; F162-L166 VanDerWaalsContact O-CB 3.31Å; F162-L166 WeakPolarHBondContact O-CB 3.48Å; F162-L166 PolarHBondContact O-N 2.98Å; Q163-L166 PolarHBondContact O-N 3.15Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 3.49Å; L166-V169 PolarHBondContact O-N 3.24Å; L166-V169 VanDerWaalsContact O-N 3.14Å; L166-I170 HydrophobicContact CD1-CD1 4.26Å; L166-I170 HydrophobicContact CD1-CG1 4.35Å; L166-I170 HydrophobicContact CG-CD1 3.88Å; L166-I170 HydrophobicContact CG-CG1 4.42Å; L166-I170 WeakPolarHBondContact O-CG1 3.45Å; L166-I170 PolarHBondContact O-N 2.92Å; L166-I219 HydrophobicContact CD1-CD1 4.04Å; L166-I219 HydrophobicContact CD1-CG1 3.85Å; L166-I219 HydrophobicContact CD1-CG2 4.45Å; L166-M222 HydrophobicContact CB-CE 4.4Å; L166-T233 HydrophobicContact CD1-CG2 4.35Å; L166-T233 HydrophobicContact CD2-CG2 3.93Å; L166-I236 HydrophobicContact CD2-CB 3.94Å; L166-I236 HydrophobicContact CD2-CD1 3.81Å; L166-I236 HydrophobicContact CD2-CG1 4.49Å; L166-I236 HydrophobicContact CD2-CG2 3.85Å; L166-I236 HydrophobicContact CG-CG2 4.48Å |
| 167 | D | 96 | Very high | 93.1 | Very high | 35 Ų | 35 | 45.8 Ų | 45.8 | 19% | 0.187 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.3 | -34.4 | 178 | -77.7 | -18.8 | 0 | 0 | 0 | 111.6 | Q163 A171 Q240 | Q163-D167 PolarHBondContact NE2-OD2 2.7Å; Q163-D167 WeakPolarHBondContact O-CB 3.5Å; Q163-D167 PolarHBondContact O-N 2.84Å; D167-A171 WeakPolarHBondContact O-CB 3.24Å; D167-A171 PolarHBondContact O-N 2.78Å; D167-Q240 PolarHBondContact OD1-NE2 2.95Å; D167-Q240 PolarHBondContact OD2-NE2 3.27Å; D167-Q240 VanDerWaalsContact OD2-NE2 3.13Å |
| 168 | K | 96.1 | Very high | 93.1 | Very high | 98 Ų | 98 | 44.8 Ų | 44.8 | 43% | 0.426 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.9 | -43.3 | 170.8 | -65.7 | 165.7 | -161.1 | 173 | 0 | 112 | E164 E165 L166 A171 T172 | E164-K168 WeakPolarHBondContact O-CD 3.4Å; E164-K168 WeakPolarHBondContact O-CE 3.45Å; E164-K168 VanDerWaalsContact O-CG 3.28Å; E164-K168 WeakPolarHBondContact O-CG 3.45Å; E165-K168 WeakPolarHBondContact O-CB 3.42Å; E165-K168 PolarHBondContact O-N 2.8Å; E165-K168 IonicContact OE1-NZ 3.19Å; E165-K168 PolarHBondContact OE1-NZ 3.35Å; E165-K168 IonicContact OE2-NZ 2.67Å; E165-K168 PolarHBondContact OE2-NZ 2.74Å; E165-K168 VanDerWaalsContact OE2-NZ 3.12Å; L166-K168 VanDerWaalsContact C-N 3.32Å; L166-K168 PolarHBondContact O-N 3.49Å; K168-A171 PolarHBondContact O-N 2.77Å; K168-T172 WeakPolarHBondContact O-CB 3.36Å; K168-T172 PolarHBondContact O-N 3.43Å; K168-T172 PolarHBondContact O-OG1 3.36Å |
| 169 | V | 96.7 | Very high | 92.8 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 11% | 0.109 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.4 | -35.3 | -179 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | E165 L166 T172 F173 S215 R218 I219 M222 | E165-V169 WeakPolarHBondContact O-CG2 3.28Å; E165-V169 PolarHBondContact O-N 2.89Å; L166-V169 PolarHBondContact O-N 3.24Å; L166-V169 VanDerWaalsContact O-N 3.14Å; V169-T172 PolarHBondContact O-N 3.4Å; V169-F173 PolarHBondContact O-N 3.37Å; V169-S215 PolarHBondContact O-OG 3.16Å; V169-R218 HydrophobicContact CG1-CB 4.17Å; V169-R218 HydrophobicContact CG1-CG 4.25Å; V169-R218 HydrophobicContact CG2-CG 3.95Å; V169-I219 HydrophobicContact CB-CG1 4.47Å; V169-I219 HydrophobicContact CG1-CD1 4Å; V169-I219 HydrophobicContact CG1-CG1 3.73Å; V169-M222 HydrophobicContact CG2-SD 4.11Å |
| 170 | I | 96.6 | Very high | 92.5 | Very high | 7 Ų | 7 | 42.6 Ų | 42.6 | 4% | 0.036 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -48.6 | 170.5 | -71.5 | 168.7 | 0 | 0 | 0 | 110.9 | L166 T172 F173 Q174 I236 L237 L320 L323 | L166-I170 HydrophobicContact CD1-CD1 4.26Å; L166-I170 HydrophobicContact CD1-CG1 4.35Å; L166-I170 HydrophobicContact CG-CD1 3.88Å; L166-I170 HydrophobicContact CG-CG1 4.42Å; L166-I170 WeakPolarHBondContact O-CG1 3.45Å; L166-I170 PolarHBondContact O-N 2.92Å; I170-T172 VanDerWaalsContact C-N 3.26Å; I170-T172 PolarHBondContact O-N 2.85Å; I170-F173 WeakPolarHBondContact O-CB 3.33Å; I170-F173 PolarHBondContact O-N 2.83Å; I170-F173 VanDerWaalsContact O-N 3.11Å; I170-Q174 WeakPolarHBondContact O-CG 3.23Å; I170-Q174 PolarHBondContact O-N 3.2Å; I170-I236 HydrophobicContact CD1-CG2 4.42Å; I170-L237 HydrophobicContact CD1-CD2 3.83Å; I170-L237 HydrophobicContact CG1-CD2 4.28Å; I170-L320 HydrophobicContact CD1-CD2 4.44Å; I170-L320 HydrophobicContact CG2-CD2 3.76Å; I170-L323 HydrophobicContact CG1-CD2 4.07Å |
| 171 | A | 95.6 | Very high | 92.1 | Very high | 44 Ų | 44 | 38 Ų | 38 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.4 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D167 K168 Q174 S175 | D167-A171 WeakPolarHBondContact O-CB 3.24Å; D167-A171 PolarHBondContact O-N 2.78Å; K168-A171 PolarHBondContact O-N 2.77Å; A171-Q174 PolarHBondContact O-N 3.26Å; A171-S175 WeakPolarHBondContact O-CB 3.34Å; A171-S175 PolarHBondContact O-N 2.8Å |
| 172 | T | 94.9 | Very high | 91.8 | Very high | 70 Ų | 70 | 36.7 Ų | 36.7 | 43% | 0.429 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.2 | -40.7 | 174 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | K168 V169 I170 S175 T176 | K168-T172 WeakPolarHBondContact O-CB 3.36Å; K168-T172 PolarHBondContact O-N 3.43Å; K168-T172 PolarHBondContact O-OG1 3.36Å; V169-T172 PolarHBondContact O-N 3.4Å; I170-T172 VanDerWaalsContact C-N 3.26Å; I170-T172 PolarHBondContact O-N 2.85Å; T172-S175 PolarHBondContact O-N 3.08Å; T172-T176 VanDerWaalsContact O-CB 3.3Å; T172-T176 WeakPolarHBondContact O-CB 3.47Å; T172-T176 PolarHBondContact O-N 2.73Å; T172-T176 PolarHBondContact O-OG1 3.42Å |
| 173 | F | 93.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 175.3 | -176 | -110.6 | 0 | 0 | 0 | 111.8 | V169 I170 T176 W177 D213 S215 I216 T319 T322 L323 | V169-F173 PolarHBondContact O-N 3.37Å; I170-F173 WeakPolarHBondContact O-CB 3.33Å; I170-F173 PolarHBondContact O-N 2.83Å; I170-F173 VanDerWaalsContact O-N 3.11Å; F173-T176 PolarHBondContact O-N 3.19Å; F173-W177 HydrophobicContact CZ-CE3 4.42Å; F173-W177 WeakPolarHBondContact O-CB 3.47Å; F173-W177 PolarHBondContact O-N 2.75Å; F173-D213 WeakPolarHBondContact CD2-OD2 3.29Å; F173-D213 WeakPolarHBondContact CE2-OD2 3.43Å; F173-S215 PolarHBondContact N-OG 3.06Å; F173-I216 HydrophobicContact CD2-CG1 4.28Å; F173-I216 HydrophobicContact CE2-CD1 3.83Å; F173-I216 HydrophobicContact CE2-CG1 3.88Å; F173-I216 HydrophobicContact CZ-CD1 4.37Å; F173-T319 WeakPolarHBondContact CE1-O 3.31Å; F173-T322 HydrophobicContact CZ-CG2 4.47Å; F173-L323 HydrophobicContact CD1-CB 4.25Å; F173-L323 HydrophobicContact CD1-CD1 4.28Å; F173-L323 HydrophobicContact CD1-CD2 4.1Å; F173-L323 HydrophobicContact CD1-CG 4.45Å; F173-L323 HydrophobicContact CE1-CB 3.92Å; F173-L323 HydrophobicContact CE1-CD1 4.26Å; F173-L323 HydrophobicContact CE1-CG 4.49Å; F173-L323 HydrophobicContact CE2-CD1 4.49Å; F173-L323 HydrophobicContact CG-CD1 4.4Å; F173-L323 HydrophobicContact CZ-CD1 4.36Å |
| 174 | Q | 93 | Very high | 90.7 | Very high | 51 Ų | 51 | 36.4 Ų | 36.4 | 24% | 0.238 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 178.5 | -69.1 | 180 | -12.7 | 0 | 0 | 112.7 | I170 A171 S178 T319 | I170-Q174 WeakPolarHBondContact O-CG 3.23Å; I170-Q174 PolarHBondContact O-N 3.2Å; A171-Q174 PolarHBondContact O-N 3.26Å; Q174-S178 WeakPolarHBondContact O-CB 3.26Å; Q174-S178 PolarHBondContact O-N 3.12Å; Q174-S178 PolarHBondContact O-OG 2.8Å; Q174-T319 WeakPolarHBondContact CG-OG1 3.42Å |
| 175 | S | 90.5 | Very high | 90.2 | Very high | 69 Ų | 69 | 32.6 Ų | 32.6 | 48% | 0.483 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.6 | -40.5 | 173.2 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | A171 T172 S178 S179 | A171-S175 WeakPolarHBondContact O-CB 3.34Å; A171-S175 PolarHBondContact O-N 2.8Å; T172-S175 PolarHBondContact O-N 3.08Å; S175-S178 PolarHBondContact O-OG 2.83Å; S175-S179 WeakPolarHBondContact O-CB 3.41Å; S175-S179 PolarHBondContact O-N 3.21Å; S175-S179 PolarHBondContact O-OG 3.05Å |
| 176 | T | 88.3 | Confident | 89.7 | Confident | 56 Ų | 56 | 30.6 Ų | 30.6 | 34% | 0.344 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.9 | -43.8 | 176.1 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | T172 F173 A180 | T172-T176 VanDerWaalsContact O-CB 3.3Å; T172-T176 WeakPolarHBondContact O-CB 3.47Å; T172-T176 PolarHBondContact O-N 2.73Å; T172-T176 PolarHBondContact O-OG1 3.42Å; F173-T176 PolarHBondContact O-N 3.19Å; T176-A180 WeakPolarHBondContact O-CB 3.39Å; T176-A180 PolarHBondContact O-N 3.19Å |
| 177 | W | 86.1 | Confident | 89 | Confident | 13 Ų | 13 | 34.5 Ų | 34.5 | 5% | 0.049 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.2 | -56.6 | 174.6 | -176.9 | -79.6 | 0 | 0 | 0 | 111.5 | F173 S179 A180 I181 I202 R209 T319 T322 P460 | F173-W177 HydrophobicContact CZ-CE3 4.42Å; F173-W177 WeakPolarHBondContact O-CB 3.47Å; F173-W177 PolarHBondContact O-N 2.75Å; W177-S179 VanDerWaalsContact C-N 3.33Å; W177-S179 PolarHBondContact O-N 2.96Å; W177-A180 PolarHBondContact O-N 3.48Å; W177-A180 VanDerWaalsContact O-N 3.12Å; W177-I181 WeakPolarHBondContact O-CG1 3.44Å; W177-I181 PolarHBondContact O-N 2.61Å; W177-I181 VanDerWaalsContact O-N 3.13Å; W177-I202 HydrophobicContact CD2-CD1 3.9Å; W177-I202 HydrophobicContact CG-CD1 3.97Å; W177-I202 WeakPolarHBondContact O-CD1 3.45Å; W177-R209 VanDerWaalsContact CZ3-NH2 3.3Å; W177-T319 HydrophobicContact CB-CG2 4.14Å; W177-T319 HydrophobicContact CD2-CG2 3.77Å; W177-T319 HydrophobicContact CE3-CG2 4.35Å; W177-T319 HydrophobicContact CG-CG2 3.62Å; W177-T322 HydrophobicContact CH2-CG2 4.32Å; W177-T322 HydrophobicContact CZ3-CG2 3.86Å; W177-P460 HydrophobicContact CZ2-CG 4.43Å |
| 178 | S | 85.6 | Confident | 88.3 | Confident | 36 Ų | 36 | 33.7 Ų | 33.7 | 25% | 0.252 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.7 | -38 | -178 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | Q174 S175 I181 | Q174-S178 WeakPolarHBondContact O-CB 3.26Å; Q174-S178 PolarHBondContact O-N 3.12Å; Q174-S178 PolarHBondContact O-OG 2.8Å; S175-S178 PolarHBondContact O-OG 2.83Å; S178-I181 PolarHBondContact O-N 3.35Å |
| 179 | S | 85.1 | Confident | 87.6 | Confident | 21 Ų | 21 | 29.2 Ų | 29.2 | 15% | 0.147 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.5 | -51 | 169.4 | -72.6 | 0 | 0 | 0 | 0 | 111.6 | S175 W177 I181 L182 D183 R1010 | S175-S179 WeakPolarHBondContact O-CB 3.41Å; S175-S179 PolarHBondContact O-N 3.21Å; S175-S179 PolarHBondContact O-OG 3.05Å; W177-S179 VanDerWaalsContact C-N 3.33Å; W177-S179 PolarHBondContact O-N 2.96Å; S179-I181 PolarHBondContact O-N 3.5Å; S179-I181 VanDerWaalsContact O-N 3.12Å; S179-L182 CarbonylContact O-C 3.56Å; S179-L182 WeakPolarHBondContact O-CA 3.25Å; S179-L182 PolarHBondContact O-N 3.43Å; S179-D183 VanDerWaalsContact C-OD2 3.3Å; S179-D183 WeakPolarHBondContact O-CB 3.21Å; S179-D183 PolarHBondContact O-N 2.79Å; S179-D183 VanDerWaalsContact O-OD2 3.07Å; S179-R1010 PolarHBondContact OG-NH1 3.34Å; S179-R1010 PolarHBondContact OG-NH2 3.33Å; S179-R1010 VanDerWaalsContact OG-NH2 3.13Å |
| 180 | A | 83.2 | Confident | 86.9 | Confident | 28 Ų | 28 | 32 Ų | 32 | 23% | 0.231 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -19.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | T176 W177 I202 Q765 | T176-A180 WeakPolarHBondContact O-CB 3.39Å; T176-A180 PolarHBondContact O-N 3.19Å; W177-A180 PolarHBondContact O-N 3.48Å; W177-A180 VanDerWaalsContact O-N 3.12Å; A180-I202 HydrophobicContact CB-CD1 3.77Å; A180-I202 HydrophobicContact CB-CG1 4.11Å; A180-Q765 PolarHBondContact O-NE2 3.09Å; A180-Q765 VanDerWaalsContact O-NE2 3.08Å |
| 181 | I | 83.2 | Confident | 85.7 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.3 | -48.9 | 169.3 | -50.3 | -170.3 | 0 | 0 | 0 | 109.5 | W177 S178 S179 I202 P761 Q765 V884 | W177-I181 WeakPolarHBondContact O-CG1 3.44Å; W177-I181 PolarHBondContact O-N 2.61Å; W177-I181 VanDerWaalsContact O-N 3.13Å; S178-I181 PolarHBondContact O-N 3.35Å; S179-I181 PolarHBondContact O-N 3.5Å; S179-I181 VanDerWaalsContact O-N 3.12Å; I181-I202 HydrophobicContact CG1-CD1 3.53Å; I181-I202 HydrophobicContact CG1-CG2 4.23Å; I181-P761 HydrophobicContact CD1-CB 3.98Å; I181-P761 HydrophobicContact CD1-CG 4.16Å; I181-P761 HydrophobicContact CG2-CB 4.47Å; I181-Q765 VanDerWaalsContact CA-NE2 3.33Å; I181-Q765 HydrophobicContact CG2-CB 4.24Å; I181-Q765 HydrophobicContact CG2-CG 4.3Å; I181-Q765 PolarHBondContact O-NE2 3.27Å; I181-V884 HydrophobicContact CB-CG2 4.45Å; I181-V884 HydrophobicContact CG2-CB 4.43Å; I181-V884 HydrophobicContact CG2-CG1 3.72Å; I181-V884 HydrophobicContact CG2-CG2 3.76Å |
| 182 | L | 86.6 | Confident | 83.7 | Confident | 19 Ų | 19 | 39 Ų | 39 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -72.5 | -41.3 | -177.1 | -59.7 | 175.6 | 0 | 0 | 0 | 111.8 | S179 L185 S186 D883 V884 L887 | S179-L182 CarbonylContact O-C 3.56Å; S179-L182 WeakPolarHBondContact O-CA 3.25Å; S179-L182 PolarHBondContact O-N 3.43Å; L182-L185 PolarHBondContact O-N 3.04Å; L182-L185 VanDerWaalsContact O-N 3.13Å; L182-S186 PolarHBondContact O-N 2.99Å; L182-S186 PolarHBondContact O-OG 3.09Å; L182-D883 HydrophobicContact CD1-CB 4.46Å; L182-D883 HydrophobicContact CD2-CB 3.67Å; L182-V884 HydrophobicContact CD2-CB 4.44Å; L182-V884 HydrophobicContact CD2-CG2 3.69Å; L182-L887 HydrophobicContact CB-CD1 4.02Å; L182-L887 HydrophobicContact CD2-CD1 3.79Å |
| 183 | D | 84.1 | Confident | 81.2 | Confident | 53 Ų | 53 | 39.2 Ų | 39.2 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -68.8 | -38.7 | -171.3 | -66.1 | -33.8 | 0 | 0 | 0 | 112.9 | S179 L185 S186 M187 R1010 | S179-D183 VanDerWaalsContact C-OD2 3.3Å; S179-D183 WeakPolarHBondContact O-CB 3.21Å; S179-D183 PolarHBondContact O-N 2.79Å; S179-D183 VanDerWaalsContact O-OD2 3.07Å; D183-L185 PolarHBondContact O-N 3.01Å; D183-S186 WeakPolarHBondContact CA-OG 3.29Å; D183-S186 PolarHBondContact O-N 3.39Å; D183-S186 PolarHBondContact O-OG 3.36Å; D183-M187 VanDerWaalsContact O-CB 3.24Å; D183-M187 WeakPolarHBondContact O-CB 3.33Å; D183-M187 WeakPolarHBondContact O-CG 3.28Å; D183-M187 PolarHBondContact O-N 3.49Å; D183-R1010 VanDerWaalsContact OD1-CD 3.26Å; D183-R1010 WeakPolarHBondContact OD1-CD 3.33Å; D183-R1010 IonicContact OD1-CZ 3.76Å; D183-R1010 IonicContact OD1-NE 3.84Å; D183-R1010 IonicContact OD1-NH1 2.78Å; D183-R1010 PolarHBondContact OD1-NH1 3.35Å; D183-R1010 IonicContact OD2-NH1 3.25Å; D183-R1010 PolarHBondContact OD2-NH1 2.92Å |
| 184 | A | 82.5 | Confident | 78.7 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 12% | 0.116 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69 | -24.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S188 L199 L769 | A184-S188 VanDerWaalsContact O-CB 3.24Å; A184-S188 WeakPolarHBondContact O-CB 3.45Å; A184-S188 PolarHBondContact O-N 2.81Å; A184-L199 HydrophobicContact CB-CD2 4.28Å; A184-L769 HydrophobicContact CB-CD1 3.96Å |
| 185 | L | 85 | Confident | 76.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -79.6 | -46.5 | 172.7 | -68.6 | 170.1 | 0 | 0 | 0 | 111.5 | L182 D183 S188 I189 Q765 V768 L769 V884 L887 | L182-L185 PolarHBondContact O-N 3.04Å; L182-L185 VanDerWaalsContact O-N 3.13Å; D183-L185 PolarHBondContact O-N 3.01Å; L185-S188 WeakPolarHBondContact O-CB 3.35Å; L185-S188 PolarHBondContact O-N 3.2Å; L185-S188 VanDerWaalsContact O-N 3.15Å; L185-I189 WeakPolarHBondContact O-CD1 3.47Å; L185-I189 WeakPolarHBondContact O-CG1 3.34Å; L185-I189 PolarHBondContact O-N 3.36Å; L185-I189 VanDerWaalsContact O-N 3.09Å; L185-Q765 HydrophobicContact CD1-CB 4.46Å; L185-Q765 HydrophobicContact CD1-CG 3.94Å; L185-Q765 HydrophobicContact CD2-CG 3.99Å; L185-Q765 HydrophobicContact CG-CG 3.71Å; L185-V768 HydrophobicContact CD2-CB 4.11Å; L185-V768 HydrophobicContact CD2-CG1 3.76Å; L185-L769 HydrophobicContact CD2-CD2 4.16Å; L185-L769 HydrophobicContact CD2-CG 4.12Å; L185-V884 HydrophobicContact CD1-CG1 4.14Å; L185-L887 HydrophobicContact CB-CB 3.92Å; L185-L887 HydrophobicContact CB-CD1 4.09Å; L185-L887 HydrophobicContact CD1-CB 4.06Å |
| 186 | S | 85.5 | Confident | 73.8 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.014 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -43.1 | 179.3 | 67.3 | 0 | 0 | 0 | 0 | 111.4 | L182 D183 S188 I189 M190 | L182-S186 PolarHBondContact O-N 2.99Å; L182-S186 PolarHBondContact O-OG 3.09Å; D183-S186 WeakPolarHBondContact CA-OG 3.29Å; D183-S186 PolarHBondContact O-N 3.39Å; D183-S186 PolarHBondContact O-OG 3.36Å; S186-S188 VanDerWaalsContact C-N 3.27Å; S186-S188 PolarHBondContact O-N 2.87Å; S186-I189 PolarHBondContact O-N 3.33Å; S186-I189 VanDerWaalsContact O-N 3.12Å; S186-M190 WeakPolarHBondContact O-CB 3.48Å; S186-M190 VanDerWaalsContact O-CG 3.23Å; S186-M190 WeakPolarHBondContact O-CG 3.43Å; S186-M190 PolarHBondContact O-N 2.9Å |
| 187 | M | 81.9 | Confident | 71.5 | Confident | 83 Ų | 83 | 51.6 Ų | 51.6 | 41% | 0.409 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.5 | -32.4 | 173.9 | -67.8 | -61.1 | 98.7 | 0 | 0 | 112.4 | D183 I189 M190 S191 L199 | D183-M187 VanDerWaalsContact O-CB 3.24Å; D183-M187 WeakPolarHBondContact O-CB 3.33Å; D183-M187 WeakPolarHBondContact O-CG 3.28Å; D183-M187 PolarHBondContact O-N 3.49Å; M187-I189 VanDerWaalsContact C-N 3.31Å; M187-M190 HydrophobicContact CE-CE 4.3Å; M187-M190 HydrophobicContact CE-SD 3.74Å; M187-S191 WeakPolarHBondContact O-CB 3.46Å; M187-S191 PolarHBondContact O-N 3.39Å; M187-S191 PolarHBondContact O-OG 3.31Å; M187-L199 HydrophobicContact CB-CD2 3.97Å |
| 188 | S | 80.2 | Confident | 69.8 | Low | 17 Ų | 17 | 55.5 Ų | 55.5 | 12% | 0.119 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -73.6 | -19.7 | 175.6 | -167.3 | 0 | 0 | 0 | 0 | 113.9 | A184 L185 S186 L769 Q891 | A184-S188 VanDerWaalsContact O-CB 3.24Å; A184-S188 WeakPolarHBondContact O-CB 3.45Å; A184-S188 PolarHBondContact O-N 2.81Å; L185-S188 WeakPolarHBondContact O-CB 3.35Å; L185-S188 PolarHBondContact O-N 3.2Å; L185-S188 VanDerWaalsContact O-N 3.15Å; S186-S188 VanDerWaalsContact C-N 3.27Å; S186-S188 PolarHBondContact O-N 2.87Å; S188-L769 WeakPolarHBondContact OG-CD2 3.45Å; S188-Q891 PolarHBondContact O-NE2 2.79Å; S188-Q891 PolarHBondContact O-OE1 2.78Å; S188-Q891 VanDerWaalsContact O-OE1 3.07Å; S188-Q891 PolarHBondContact OG-NE2 3.26Å |
| 189 | I | 81.7 | Confident | 68.2 | Low | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -88.6 | -41.3 | 172.4 | -64.9 | 158.1 | 0 | 0 | 0 | 110.7 | L185 S186 M187 L887 A890 Q891 L894 A1014 | L185-I189 WeakPolarHBondContact O-CD1 3.47Å; L185-I189 WeakPolarHBondContact O-CG1 3.34Å; L185-I189 PolarHBondContact O-N 3.36Å; L185-I189 VanDerWaalsContact O-N 3.09Å; S186-I189 PolarHBondContact O-N 3.33Å; S186-I189 VanDerWaalsContact O-N 3.12Å; M187-I189 VanDerWaalsContact C-N 3.31Å; I189-L887 HydrophobicContact CD1-CB 4.39Å; I189-L887 HydrophobicContact CD1-CD2 3.8Å; I189-A890 HydrophobicContact CD1-CB 3.77Å; I189-Q891 HydrophobicContact CD1-CB 4.33Å; I189-Q891 HydrophobicContact CG1-CB 3.91Å; I189-L894 HydrophobicContact CB-CD1 4.48Å; I189-L894 HydrophobicContact CG2-CD1 4.16Å; I189-A1014 HydrophobicContact CB-CB 4.28Å; I189-A1014 HydrophobicContact CD1-CB 4.07Å; I189-A1014 HydrophobicContact CG2-CB 4Å; I189-A1014 WeakPolarHBondContact CG2-O 3.43Å |
| 190 | M | 81.4 | Confident | 66.7 | Low | 75 Ų | 75 | 57 Ų | 57 | 37% | 0.369 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -80.5 | -24.5 | -173.8 | -67 | 173.2 | 66.8 | 0 | 0 | 113.4 | S186 M187 A1014 V1017 | S186-M190 WeakPolarHBondContact O-CB 3.48Å; S186-M190 VanDerWaalsContact O-CG 3.23Å; S186-M190 WeakPolarHBondContact O-CG 3.43Å; S186-M190 PolarHBondContact O-N 2.9Å; M187-M190 HydrophobicContact CE-CE 4.3Å; M187-M190 HydrophobicContact CE-SD 3.74Å; M190-A1014 HydrophobicContact CG-CB 4.4Å; M190-V1017 HydrophobicContact CG-CG2 4.28Å |
| 191 | S | 71.8 | Confident | 65.4 | Low | 63 Ų | 63 | 56.8 Ų | 56.8 | 44% | 0.441 | 36% | 0.356 | S | S | . | . | trans | -92.3 | 105.3 | -179.3 | -52.1 | 0 | 0 | 0 | 0 | 111.3 | M187 A193 | M187-S191 WeakPolarHBondContact O-CB 3.46Å; M187-S191 PolarHBondContact O-N 3.39Å; M187-S191 PolarHBondContact O-OG 3.31Å; S191-A193 PolarHBondContact O-N 3.11Å | ||
| 192 | T | 54 | Low | 63.9 | Low | 136 Ų | 136 | 56.7 Ų | 56.7 | 83% | 0.834 | 36% | 0.356 | S | S | * | . | trans | -72.6 | -4.1 | 172.8 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | S194 | T192-S194 PolarHBondContact O-N 3.26Š| ||
| 193 | A | 43 | Very low | 62.4 | Low | 75 Ų | 75 | 56.7 Ų | 56.7 | 62% | 0.62 | 36% | 0.355 | S | S | * | . | trans | -69.9 | 95.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | S191 T195 | S191-A193 PolarHBondContact O-N 3.11Å; A193-T195 PolarHBondContact O-N 3.33Å | ||
| 194 | S | 40.9 | Very low | 61.3 | Low | 108 Ų | 108 | 58.1 Ų | 58.1 | 76% | 0.755 | 36% | 0.357 | S | S | * | . | trans | -59.2 | 127.1 | 162 | -172.9 | 0 | 0 | 0 | 0 | 109.1 | T192 | T192-S194 PolarHBondContact O-N 3.26Š| ||
| 195 | T | 40 | Very low | 60.5 | Low | 109 Ų | 109 | 62.3 Ų | 62.3 | 67% | 0.669 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 75.3 | 147 | -176.2 | 76.9 | 0 | 0 | 0 | 0 | 117.5 | A193 | A193-T195 PolarHBondContact O-N 3.33Š|
| 196 | T | 40.6 | Very low | 60.3 | Low | 135 Ų | 135 | 62.4 Ų | 62.4 | 83% | 0.828 | 37% | 0.371 | S | S | * | . | trans | 55.7 | 86.9 | 164 | 58.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 197 | A | 40.1 | Very low | 60.2 | Low | 85 Ų | 85 | 62.5 Ų | 62.5 | 70% | 0.702 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -171.4 | 116.8 | 131.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L199 | A197-L199 PolarHBondContact O-N 2.99Š|
| 198 | D | 50.2 | Low | 60.2 | Low | 96 Ų | 96 | 61.5 Ų | 61.5 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | trans | 26.7 | 18.9 | 163.1 | -127.5 | 11.2 | 0 | 0 | 0 | 121.9 | V200 R208 R212 | D198-V200 PolarHBondContact O-N 3.08Å; D198-R208 IonicContact OD1-CZ 2.72Å; D198-R208 VanDerWaalsContact OD1-CZ 3.27Å; D198-R208 IonicContact OD1-NH1 2.76Å; D198-R208 PolarHBondContact OD1-NH1 2.58Å; D198-R208 IonicContact OD1-NH2 3.85Å; D198-R208 PolarHBondContact OD1-NH2 2.78Å; D198-R208 IonicContact OD2-CZ 3.7Å; D198-R208 IonicContact OD2-NH1 3.96Å; D198-R208 PolarHBondContact OD2-NH1 2.85Å; D198-R208 IonicContact OD2-NH2 2.7Å; D198-R208 PolarHBondContact OD2-NH2 3.25Å; D198-R212 IonicContact OD2-CZ 3.89Å; D198-R212 IonicContact OD2-NH1 3.05Å; D198-R212 PolarHBondContact OD2-NH1 2.87Å; D198-R212 VanDerWaalsContact OD2-NH1 3.09Å; D198-R212 IonicContact OD2-NH2 2.65Å | ||
| 199 | L | 51.4 | Low | 60.4 | Low | 46 Ų | 46 | 61 Ų | 61 | 24% | 0.241 | 36% | 0.359 | C | S | . | . | trans | -70.3 | 48.4 | 176.3 | -74.9 | 176 | 0 | 0 | 0 | 112.6 | A184 M187 A197 R773 | A184-L199 HydrophobicContact CB-CD2 4.28Å; M187-L199 HydrophobicContact CB-CD2 3.97Å; A197-L199 PolarHBondContact O-N 2.99Å; L199-R773 PolarHBondContact O-NH2 3.37Å | ||
| 200 | V | 54.2 | Low | 60.8 | Low | 43 Ų | 43 | 61.4 Ų | 61.4 | 26% | 0.261 | 36% | 0.36 | S | S | . | . | trans | -68.4 | 132.1 | 174.4 | -166.2 | 0 | 0 | 0 | 0 | 108 | D198 L1133 | D198-V200 PolarHBondContact O-N 3.08Å; V200-L1133 HydrophobicContact CG2-CD1 3.83Å | ||
| 201 | P | 54.6 | Low | 60.9 | Low | 22 Ų | 22 | 65.5 Ų | 65.5 | 14% | 0.143 | 37% | 0.371 | C | S | . | . | trans | -54.3 | 157 | 174.9 | -27.5 | 35.9 | 0 | 0 | 0 | 112.7 | L203 Y204 A766 L769 | P201-L203 CarbonylContact O-C 3.55Å; P201-L203 PolarHBondContact O-N 3.11Å; P201-Y204 PolarHBondContact O-N 3.04Å; P201-A766 HydrophobicContact CB-CB 3.65Å; P201-A766 HydrophobicContact CG-CB 3.98Å; P201-L769 HydrophobicContact CG-CD1 4.46Å | ||
| 202 | I | 53.2 | Low | 61.5 | Low | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -67.4 | 3 | -176.8 | -150.8 | -171.4 | 0 | 0 | 0 | 114.3 | W177 A180 I181 Y204 E762 | W177-I202 HydrophobicContact CD2-CD1 3.9Å; W177-I202 HydrophobicContact CG-CD1 3.97Å; W177-I202 WeakPolarHBondContact O-CD1 3.45Å; A180-I202 HydrophobicContact CB-CD1 3.77Å; A180-I202 HydrophobicContact CB-CG1 4.11Å; I181-I202 HydrophobicContact CG1-CD1 3.53Å; I181-I202 HydrophobicContact CG1-CG2 4.23Å; I202-Y204 HydrophobicContact CG1-CD2 4.45Å; I202-Y204 PolarHBondContact O-N 2.92Å; I202-E762 HydrophobicContact CG2-CB 3.64Å |
| 203 | L | 55.3 | Low | 63.1 | Low | 18 Ų | 18 | 63.2 Ų | 63.2 | 9% | 0.094 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -63 | 59.8 | 144.6 | -59.7 | 178.7 | 0 | 0 | 0 | 109.9 | P201 W205 W461 L689 E762 A766 | P201-L203 CarbonylContact O-C 3.55Å; P201-L203 PolarHBondContact O-N 3.11Å; L203-W205 PolarHBondContact O-N 3.28Å; L203-W461 HydrophobicContact CB-CZ2 4.1Å; L203-W461 VanDerWaalsContact O-CZ2 3.27Å; L203-W461 WeakPolarHBondContact O-CZ2 3.45Å; L203-W461 PolarHBondContact O-NE1 2.88Å; L203-L689 HydrophobicContact CD1-CD2 3.6Å; L203-E762 HydrophobicContact CD2-CG 4.09Å; L203-A766 HydrophobicContact CD1-CB 4.42Å |
| 204 | Y | 59.3 | Low | 65.3 | Low | 83 Ų | 83 | 63.7 Ų | 63.7 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | trans | -55 | 116.1 | 174.9 | -128.2 | -82.5 | 0 | 0 | 0 | 107.6 | P201 I202 P206 R208 R209 W461 | P201-Y204 PolarHBondContact O-N 3.04Å; I202-Y204 HydrophobicContact CG1-CD2 4.45Å; I202-Y204 PolarHBondContact O-N 2.92Å; Y204-P206 VanDerWaalsContact O-CD 3.31Å; Y204-P206 WeakPolarHBondContact O-CD 3.47Å; Y204-R208 HydrophobicContact CD1-CB 4.4Å; Y204-R209 HydrophobicContact CD1-CB 3.7Å; Y204-R209 HydrophobicContact CD1-CG 4.11Å; Y204-R209 HydrophobicContact CE1-CB 4.37Å; Y204-R209 HydrophobicContact CG-CB 4.27Å; Y204-R209 HydrophobicContact CG-CG 4.37Å; Y204-W461 PolarHBondContact O-NE1 3.39Å | ||
| 205 | W | 67.1 | Low | 67.9 | Low | 103 Ų | 103 | 58.8 Ų | 58.8 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | trans | -53.9 | 116.8 | 176.9 | -175.3 | 69.5 | 0 | 0 | 0 | 108.4 | L203 P207 R208 R209 R357 | L203-W205 PolarHBondContact O-N 3.28Å; W205-P207 HydrophobicContact CD2-CG 4.19Å; W205-P207 HydrophobicContact CE3-CB 4.01Å; W205-P207 HydrophobicContact CE3-CG 4.06Å; W205-P207 HydrophobicContact CH2-CB 3.91Å; W205-P207 HydrophobicContact CH2-CG 3.8Å; W205-P207 HydrophobicContact CZ2-CG 3.91Å; W205-P207 HydrophobicContact CZ3-CB 3.63Å; W205-P207 HydrophobicContact CZ3-CG 3.88Å; W205-R208 HydrophobicContact CB-CB 4.36Å; W205-R208 HydrophobicContact CE3-CB 3.93Å; W205-R208 HydrophobicContact CE3-CG 4.19Å; W205-R208 WeakPolarHBondContact O-CA 3.46Å; W205-R208 WeakPolarHBondContact O-CB 3.43Å; W205-R208 PolarHBondContact O-N 3.11Å; W205-R209 PolarHBondContact O-N 2.88Å; W205-R357 HydrophobicContact CZ2-CG 4.18Å | ||
| 206 | P | 80.9 | Confident | 70.4 | Confident | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.013 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.8 | -40.8 | -160.7 | -29.8 | 36.6 | 0 | 0 | 0 | 115.7 | Y204 R208 R209 R210 V356 W461 | Y204-P206 VanDerWaalsContact O-CD 3.31Å; Y204-P206 WeakPolarHBondContact O-CD 3.47Å; P206-R208 PolarHBondContact O-N 2.72Å; P206-R209 WeakPolarHBondContact O-CA 3.32Å; P206-R209 WeakPolarHBondContact O-CB 3.22Å; P206-R209 PolarHBondContact O-N 2.92Å; P206-R210 WeakPolarHBondContact O-CG 3.28Å; P206-R210 PolarHBondContact O-N 3.19Å; P206-V356 HydrophobicContact CG-CG1 3.85Å; P206-W461 HydrophobicContact CG-CG 4.23Å |
| 207 | P | 81.8 | Confident | 72.9 | Confident | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.019 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.3 | -18.5 | 174.1 | -12 | 23.8 | 0 | 0 | 0 | 114.4 | W205 R211 R357 | W205-P207 HydrophobicContact CD2-CG 4.19Å; W205-P207 HydrophobicContact CE3-CB 4.01Å; W205-P207 HydrophobicContact CE3-CG 4.06Å; W205-P207 HydrophobicContact CH2-CB 3.91Å; W205-P207 HydrophobicContact CH2-CG 3.8Å; W205-P207 HydrophobicContact CZ2-CG 3.91Å; W205-P207 HydrophobicContact CZ3-CB 3.63Å; W205-P207 HydrophobicContact CZ3-CG 3.88Å; P207-R211 VanDerWaalsContact O-CD 3.28Å; P207-R211 WeakPolarHBondContact O-CD 3.41Å; P207-R211 VanDerWaalsContact O-CG 3.26Å; P207-R211 WeakPolarHBondContact O-CG 3.49Å; P207-R211 PolarHBondContact O-NE 2.86Å; P207-R357 HydrophobicContact CG-CG 4.12Å |
| 208 | R | 81.8 | Confident | 75.6 | Confident | 63 Ų | 63 | 49.5 Ų | 49.5 | 24% | 0.238 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.4 | -35.7 | 167.1 | -116.7 | -179.7 | 169.2 | -146.7 | -1.3 | 111.1 | D198 Y204 W205 P206 R212 | D198-R208 IonicContact OD1-CZ 2.72Å; D198-R208 VanDerWaalsContact OD1-CZ 3.27Å; D198-R208 IonicContact OD1-NH1 2.76Å; D198-R208 PolarHBondContact OD1-NH1 2.58Å; D198-R208 IonicContact OD1-NH2 3.85Å; D198-R208 PolarHBondContact OD1-NH2 2.78Å; D198-R208 IonicContact OD2-CZ 3.7Å; D198-R208 IonicContact OD2-NH1 3.96Å; D198-R208 PolarHBondContact OD2-NH1 2.85Å; D198-R208 IonicContact OD2-NH2 2.7Å; D198-R208 PolarHBondContact OD2-NH2 3.25Å; Y204-R208 HydrophobicContact CD1-CB 4.4Å; W205-R208 HydrophobicContact CB-CB 4.36Å; W205-R208 HydrophobicContact CE3-CB 3.93Å; W205-R208 HydrophobicContact CE3-CG 4.19Å; W205-R208 WeakPolarHBondContact O-CA 3.46Å; W205-R208 WeakPolarHBondContact O-CB 3.43Å; W205-R208 PolarHBondContact O-N 3.11Å; P206-R208 PolarHBondContact O-N 2.72Å; R208-R212 WeakPolarHBondContact O-CB 3.41Å; R208-R212 WeakPolarHBondContact O-CG 3.4Å; R208-R212 PolarHBondContact O-N 3.27Å |
| 209 | R | 86 | Confident | 77.7 | Confident | 6 Ų | 6 | 45 Ų | 45 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.4 | -55.3 | 177 | -162.2 | -169.2 | -65.4 | 124.6 | -9.2 | 110.2 | W177 Y204 W205 P206 R211 R212 D213 I216 T322 D326 | W177-R209 VanDerWaalsContact CZ3-NH2 3.3Å; Y204-R209 HydrophobicContact CD1-CB 3.7Å; Y204-R209 HydrophobicContact CD1-CG 4.11Å; Y204-R209 HydrophobicContact CE1-CB 4.37Å; Y204-R209 HydrophobicContact CG-CB 4.27Å; Y204-R209 HydrophobicContact CG-CG 4.37Å; W205-R209 PolarHBondContact O-N 2.88Å; P206-R209 WeakPolarHBondContact O-CA 3.32Å; P206-R209 WeakPolarHBondContact O-CB 3.22Å; P206-R209 PolarHBondContact O-N 2.92Å; R209-R211 PolarHBondContact O-N 3.12Å; R209-R212 PolarHBondContact O-N 3.01Å; R209-D213 HydrophobicContact CG-CB 4.14Å; R209-D213 VanDerWaalsContact O-CB 3.28Å; R209-D213 WeakPolarHBondContact O-CB 3.46Å; R209-D213 PolarHBondContact O-N 3.42Å; R209-I216 HydrophobicContact CG-CD1 3.91Å; R209-T322 VanDerWaalsContact NH1-CG2 3.28Å; R209-D326 WeakPolarHBondContact CD-OD2 3.36Å; R209-D326 IonicContact CZ-OD2 3.2Å; R209-D326 IonicContact NE-OD2 3.45Å; R209-D326 IonicContact NH1-OD2 2.76Å; R209-D326 PolarHBondContact NH1-OD2 2.83Å |
| 210 | R | 89.5 | Confident | 79.8 | Confident | 13 Ų | 13 | 44 Ų | 44 | 5% | 0.049 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -24.1 | -179.5 | -66.9 | -170.7 | -68.1 | -111.6 | 19.3 | 115.2 | P206 D326 M329 S330 E333 D353 | P206-R210 WeakPolarHBondContact O-CG 3.28Å; P206-R210 PolarHBondContact O-N 3.19Å; R210-D326 VanDerWaalsContact CD-O 3.26Å; R210-D326 WeakPolarHBondContact CD-O 3.28Å; R210-D326 VanDerWaalsContact CD-OD1 3.23Å; R210-D326 WeakPolarHBondContact CD-OD1 3.5Å; R210-D326 HydrophobicContact CG-CB 3.77Å; R210-D326 VanDerWaalsContact CG-CG 3.47Å; R210-D326 VanDerWaalsContact CG-OD1 3.25Å; R210-D326 WeakPolarHBondContact CG-OD1 3.44Å; R210-D326 IonicContact CZ-OD1 3.66Å; R210-D326 IonicContact NE-OD1 2.62Å; R210-D326 IonicContact NH1-OD1 3.76Å; R210-D326 PolarHBondContact NH1-OD1 2.82Å; R210-M329 VanDerWaalsContact CZ-CB 3.48Å; R210-S330 WeakPolarHBondContact CB-OG 3.35Å; R210-S330 VanDerWaalsContact CD-OG 3.28Å; R210-S330 WeakPolarHBondContact CD-OG 3.33Å; R210-S330 VanDerWaalsContact CG-OG 3.29Å; R210-S330 WeakPolarHBondContact CG-OG 3.05Å; R210-E333 IonicContact CZ-OE1 3.59Å; R210-E333 IonicContact NE-OE1 2.72Å; R210-E333 PolarHBondContact NE-OE1 2.66Å; R210-E333 IonicContact NH2-OE1 2.72Å; R210-E333 PolarHBondContact NH2-OE1 3.12Å; R210-D353 IonicContact CZ-OD1 2.72Å; R210-D353 VanDerWaalsContact CZ-OD1 3.28Å; R210-D353 IonicContact NH1-OD1 3.25Å; R210-D353 PolarHBondContact NH1-OD1 3.37Å; R210-D353 IonicContact NH2-OD1 2.75Å; R210-D353 PolarHBondContact NH2-OD1 2.84Å; R210-D353 IonicContact NH2-OD2 3.91Å |
| 211 | R | 84 | Confident | 81.7 | Confident | 162 Ų | 162 | 46 Ų | 46 | 61% | 0.611 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -8.6 | -179 | -59.3 | 175.4 | -166.3 | 174.8 | 5 | 115 | P207 R209 E333 | P207-R211 VanDerWaalsContact O-CD 3.28Å; P207-R211 WeakPolarHBondContact O-CD 3.41Å; P207-R211 VanDerWaalsContact O-CG 3.26Å; P207-R211 WeakPolarHBondContact O-CG 3.49Å; P207-R211 PolarHBondContact O-NE 2.86Å; R209-R211 PolarHBondContact O-N 3.12Å; R211-E333 IonicContact CZ-OE2 2.63Å; R211-E333 IonicContact NE-OE2 2.7Å; R211-E333 PolarHBondContact NE-OE2 3.24Å; R211-E333 IonicContact NH2-OE2 3.56Å; R211-E333 PolarHBondContact NH2-OE2 3.33Å |
| 212 | R | 82.7 | Confident | 83.6 | Confident | 136 Ų | 136 | 45 Ų | 45 | 51% | 0.513 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | -25.2 | -178.3 | -71.8 | -175.5 | 169.2 | -173 | -3.6 | 113.4 | D198 R208 R209 | D198-R212 IonicContact OD2-CZ 3.89Å; D198-R212 IonicContact OD2-NH1 3.05Å; D198-R212 PolarHBondContact OD2-NH1 2.87Å; D198-R212 VanDerWaalsContact OD2-NH1 3.09Å; D198-R212 IonicContact OD2-NH2 2.65Å; R208-R212 WeakPolarHBondContact O-CB 3.41Å; R208-R212 WeakPolarHBondContact O-CG 3.4Å; R208-R212 PolarHBondContact O-N 3.27Å; R209-R212 PolarHBondContact O-N 3.01Å |
| 213 | D | 88.2 | Confident | 85.6 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | trans | -76.4 | 119.5 | -179.4 | -173.6 | -76.7 | 0 | 0 | 0 | 110.5 | F173 R209 S215 I216 V217 | F173-D213 WeakPolarHBondContact CD2-OD2 3.29Å; F173-D213 WeakPolarHBondContact CE2-OD2 3.43Å; R209-D213 HydrophobicContact CG-CB 4.14Å; R209-D213 VanDerWaalsContact O-CB 3.28Å; R209-D213 WeakPolarHBondContact O-CB 3.46Å; R209-D213 PolarHBondContact O-N 3.42Å; D213-S215 VanDerWaalsContact C-N 3.32Å; D213-S215 PolarHBondContact O-N 2.85Å; D213-S215 WeakPolarHBondContact OD1-CA 3.22Å; D213-S215 WeakPolarHBondContact OD1-CB 3.33Å; D213-S215 PolarHBondContact OD1-N 2.92Å; D213-I216 HydrophobicContact CB-CB 4.27Å; D213-I216 HydrophobicContact CB-CD1 3.88Å; D213-I216 HydrophobicContact CB-CG1 4.06Å; D213-I216 PolarHBondContact OD1-N 3.15Å; D213-V217 WeakPolarHBondContact O-CG2 3.25Å; D213-V217 PolarHBondContact O-N 3.41Å | ||
| 214 | P | 90.4 | Very high | 87.3 | Confident | 85 Ų | 85 | 44.3 Ų | 44.3 | 55% | 0.552 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -69.5 | -29.6 | -175.7 | 28.5 | -34.5 | 0 | 0 | 0 | 112.2 | R218 | P214-R218 WeakPolarHBondContact O-CB 3.34Å; P214-R218 PolarHBondContact O-N 3.29Å |
| 215 | S | 94.1 | Very high | 88.6 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.028 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.6 | -41.6 | 178.7 | -79.3 | 0 | 0 | 0 | 0 | 112 | V169 F173 D213 R218 I219 | V169-S215 PolarHBondContact O-OG 3.16Å; F173-S215 PolarHBondContact N-OG 3.06Å; D213-S215 VanDerWaalsContact C-N 3.32Å; D213-S215 PolarHBondContact O-N 2.85Å; D213-S215 WeakPolarHBondContact OD1-CA 3.22Å; D213-S215 WeakPolarHBondContact OD1-CB 3.33Å; D213-S215 PolarHBondContact OD1-N 2.92Å; S215-R218 PolarHBondContact O-N 3.17Å; S215-I219 WeakPolarHBondContact O-CG1 3.39Å; S215-I219 PolarHBondContact O-N 3.39Å |
| 216 | I | 93.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.5 | -48.7 | 176.4 | -62.3 | 173.7 | 0 | 0 | 0 | 110.3 | F173 R209 D213 R218 I219 V220 L323 D326 S330 | F173-I216 HydrophobicContact CD2-CG1 4.28Å; F173-I216 HydrophobicContact CE2-CD1 3.83Å; F173-I216 HydrophobicContact CE2-CG1 3.88Å; F173-I216 HydrophobicContact CZ-CD1 4.37Å; R209-I216 HydrophobicContact CG-CD1 3.91Å; D213-I216 HydrophobicContact CB-CB 4.27Å; D213-I216 HydrophobicContact CB-CD1 3.88Å; D213-I216 HydrophobicContact CB-CG1 4.06Å; D213-I216 PolarHBondContact OD1-N 3.15Å; I216-R218 VanDerWaalsContact C-N 3.32Å; I216-R218 PolarHBondContact O-N 3.1Å; I216-I219 PolarHBondContact O-N 3.13Å; I216-V220 PolarHBondContact O-N 3.39Å; I216-L323 HydrophobicContact CG1-CD1 3.86Å; I216-D326 HydrophobicContact CD1-CB 4.01Å; I216-S330 WeakPolarHBondContact CG2-OG 3.08Å |
| 217 | V | 93.3 | Very high | 90.2 | Very high | 59 Ų | 59 | 46 Ų | 46 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.6 | -44.6 | 176.7 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | D213 I219 V220 E221 | D213-V217 WeakPolarHBondContact O-CG2 3.25Å; D213-V217 PolarHBondContact O-N 3.41Å; V217-I219 PolarHBondContact O-N 3.12Å; V217-V220 PolarHBondContact O-N 2.91Å; V217-E221 HydrophobicContact CG1-CG 4.48Å; V217-E221 WeakPolarHBondContact O-CG 3.43Å; V217-E221 PolarHBondContact O-N 3.16Å |
| 218 | R | 94.9 | Very high | 90.8 | Very high | 74 Ų | 74 | 50.4 Ų | 50.4 | 28% | 0.279 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.7 | -39.7 | 178.6 | -172.8 | 73.2 | -162.3 | 114.2 | 9 | 112.9 | L148 V169 P214 S215 I216 E221 M222 | L148-R218 VanDerWaalsContact CD2-NH1 3.33Å; L148-R218 VanDerWaalsContact CD2-NH2 3.26Å; V169-R218 HydrophobicContact CG1-CB 4.17Å; V169-R218 HydrophobicContact CG1-CG 4.25Å; V169-R218 HydrophobicContact CG2-CG 3.95Å; P214-R218 WeakPolarHBondContact O-CB 3.34Å; P214-R218 PolarHBondContact O-N 3.29Å; S215-R218 PolarHBondContact O-N 3.17Å; I216-R218 VanDerWaalsContact C-N 3.32Å; I216-R218 PolarHBondContact O-N 3.1Å; R218-E221 IonicContact CZ-OE2 3.61Å; R218-E221 IonicContact NH1-OE2 3.68Å; R218-E221 PolarHBondContact NH1-OE2 3.32Å; R218-E221 WeakPolarHBondContact O-CB 3.49Å; R218-E221 PolarHBondContact O-N 3.09Å; R218-M222 HydrophobicContact CG-SD 4.15Å; R218-M222 WeakPolarHBondContact O-CB 3.3Å; R218-M222 WeakPolarHBondContact O-CG 3.33Å; R218-M222 PolarHBondContact O-N 3.05Å |
| 219 | I | 95.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.1 | -41.6 | 177.6 | -67.9 | 164.8 | 0 | 0 | 0 | 110.8 | L166 V169 S215 I216 V217 E221 M222 I223 T233 L323 L327 | L166-I219 HydrophobicContact CD1-CD1 4.04Å; L166-I219 HydrophobicContact CD1-CG1 3.85Å; L166-I219 HydrophobicContact CD1-CG2 4.45Å; V169-I219 HydrophobicContact CB-CG1 4.47Å; V169-I219 HydrophobicContact CG1-CD1 4Å; V169-I219 HydrophobicContact CG1-CG1 3.73Å; S215-I219 WeakPolarHBondContact O-CG1 3.39Å; S215-I219 PolarHBondContact O-N 3.39Å; I216-I219 PolarHBondContact O-N 3.13Å; V217-I219 PolarHBondContact O-N 3.12Å; I219-E221 VanDerWaalsContact C-N 3.34Å; I219-E221 PolarHBondContact O-N 2.97Å; I219-M222 PolarHBondContact O-N 2.8Å; I219-I223 HydrophobicContact CG2-CD1 3.72Å; I219-I223 WeakPolarHBondContact O-CG1 3.32Å; I219-I223 PolarHBondContact O-N 3.2Å; I219-T233 HydrophobicContact CG2-CG2 4.1Å; I219-L323 HydrophobicContact CD1-CD1 4.06Å; I219-L323 HydrophobicContact CD1-CD2 3.99Å; I219-L323 HydrophobicContact CD1-CG 4.38Å; I219-L327 HydrophobicContact CG2-CD1 3.74Å; I219-L327 HydrophobicContact CG2-CD2 4.08Å |
| 220 | V | 94.9 | Very high | 91.9 | Very high | 25 Ų | 25 | 47.5 Ų | 47.5 | 15% | 0.152 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.2 | -43 | 173.9 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | I216 V217 M222 G224 L327 L331 I336 | I216-V220 PolarHBondContact O-N 3.39Å; V217-V220 PolarHBondContact O-N 2.91Å; V220-M222 PolarHBondContact O-N 3.32Å; V220-G224 PolarHBondContact O-N 2.84Å; V220-L327 HydrophobicContact CG2-CD1 3.93Å; V220-L331 HydrophobicContact CG1-CD2 4.12Å; V220-L331 HydrophobicContact CG2-CD2 4.21Å; V220-I336 HydrophobicContact CG1-CD1 4.26Å |
| 221 | E | 93.9 | Very high | 92.2 | Very high | 86 Ų | 86 | 50.6 Ų | 50.6 | 40% | 0.402 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 172.7 | -74 | -179.9 | 170.7 | 0 | 0 | 113.4 | L148 R152 V217 R218 I219 | L148-E221 HydrophobicContact CD1-CB 3.98Å; R152-E221 PolarHBondContact NE-O 3.21Å; R152-E221 PolarHBondContact NH2-O 2.91Å; V217-E221 HydrophobicContact CG1-CG 4.48Å; V217-E221 WeakPolarHBondContact O-CG 3.43Å; V217-E221 PolarHBondContact O-N 3.16Å; R218-E221 IonicContact CZ-OE2 3.61Å; R218-E221 IonicContact NH1-OE2 3.68Å; R218-E221 PolarHBondContact NH1-OE2 3.32Å; R218-E221 WeakPolarHBondContact O-CB 3.49Å; R218-E221 PolarHBondContact O-N 3.09Å; I219-E221 VanDerWaalsContact C-N 3.34Å; I219-E221 PolarHBondContact O-N 2.97Å |
| 222 | M | 94.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.5 | -46.5 | 179.3 | -75.5 | 170.8 | 66.2 | 0 | 0 | 110.8 | R152 W155 F162 E165 L166 V169 R218 I219 V220 | R152-M222 VanDerWaalsContact CG-O 3.24Å; R152-M222 WeakPolarHBondContact CG-O 3.5Å; R152-M222 PolarHBondContact NE-O 2.94Å; R152-M222 VanDerWaalsContact NE-O 3.15Å; W155-M222 HydrophobicContact CH2-CB 4.26Å; W155-M222 HydrophobicContact CH2-CE 4.11Å; W155-M222 HydrophobicContact CH2-CG 3.75Å; W155-M222 HydrophobicContact CZ2-CE 4.31Å; W155-M222 HydrophobicContact CZ3-CB 3.84Å; W155-M222 HydrophobicContact CZ3-CE 4.4Å; W155-M222 HydrophobicContact CZ3-CG 3.87Å; F162-M222 HydrophobicContact CD2-CE 4.26Å; F162-M222 HydrophobicContact CE2-CB 4.43Å; F162-M222 HydrophobicContact CE2-CE 3.93Å; E165-M222 HydrophobicContact CB-CE 3.72Å; L166-M222 HydrophobicContact CB-CE 4.4Å; V169-M222 HydrophobicContact CG2-SD 4.11Å; R218-M222 HydrophobicContact CG-SD 4.15Å; R218-M222 WeakPolarHBondContact O-CB 3.3Å; R218-M222 WeakPolarHBondContact O-CG 3.33Å; R218-M222 PolarHBondContact O-N 3.05Å; I219-M222 PolarHBondContact O-N 2.8Å; V220-M222 PolarHBondContact O-N 3.32Å |
| 223 | I | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72 | -50.2 | -178.8 | -61.8 | 161.4 | 0 | 0 | 0 | 111.8 | I219 E225 G226 L229 Y230 T233 L327 L339 | I219-I223 HydrophobicContact CG2-CD1 3.72Å; I219-I223 WeakPolarHBondContact O-CG1 3.32Å; I219-I223 PolarHBondContact O-N 3.2Å; I223-E225 PolarHBondContact O-N 2.99Å; I223-G226 PolarHBondContact O-N 3.28Å; I223-G226 VanDerWaalsContact O-N 3.16Å; I223-L229 HydrophobicContact CG2-CB 4.46Å; I223-Y230 HydrophobicContact CD1-CD2 4.24Å; I223-Y230 HydrophobicContact CG2-CD2 4.42Å; I223-T233 HydrophobicContact CD1-CG2 4.1Å; I223-L327 HydrophobicContact CD1-CD1 4.11Å; I223-L327 HydrophobicContact CD1-CD2 4.27Å; I223-L339 HydrophobicContact CG2-CD1 3.58Å |
| 224 | G | 90.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | -122.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V220 L339 | V220-G224 PolarHBondContact O-N 2.84Å; G224-L339 WeakPolarHBondContact O-CD1 3.48Å |
| 225 | E | 87.7 | Confident | 93.9 | Very high | 128 Ų | 128 | 36.8 Ų | 36.8 | 60% | 0.598 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 7.5 | 177.6 | -61.6 | 176.6 | -147.6 | 0 | 0 | 113.3 | I223 Q227 I336 | I223-E225 PolarHBondContact O-N 2.99Å; E225-Q227 PolarHBondContact O-N 3.44Å; E225-I336 HydrophobicContact CG-CG2 4.33Å |
| 226 | G | 88.8 | Confident | 93.9 | Very high | 28 Ų | 28 | 36.8 Ų | 36.8 | 29% | 0.289 | 20% | 0.195 | S | C | . | . | trans | -82.9 | 98 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | I223 V228 L229 Y230 | I223-G226 PolarHBondContact O-N 3.28Å; I223-G226 VanDerWaalsContact O-N 3.16Å; G226-V228 VanDerWaalsContact C-N 3.29Å; G226-V228 PolarHBondContact O-N 3.3Å; G226-L229 PolarHBondContact O-N 3.43Å; G226-Y230 PolarHBondContact O-N 3.11Å | ||
| 227 | Q | 92.9 | Very high | 94.1 | Very high | 69 Ų | 69 | 36.7 Ų | 36.7 | 32% | 0.322 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -48.7 | -46 | 178.3 | -174.1 | 63.7 | 44.8 | 0 | 0 | 113.1 | E225 L229 Y230 D231 L339 | E225-Q227 PolarHBondContact O-N 3.44Å; Q227-L229 VanDerWaalsContact C-N 3.29Å; Q227-L229 PolarHBondContact O-N 3.5Å; Q227-Y230 WeakPolarHBondContact O-CA 3.47Å; Q227-Y230 WeakPolarHBondContact O-CB 3.23Å; Q227-Y230 PolarHBondContact O-N 3.2Å; Q227-D231 WeakPolarHBondContact CG-OD2 3.33Å; Q227-D231 PolarHBondContact NE2-OD1 3.12Å; Q227-D231 PolarHBondContact NE2-OD2 2.76Å; Q227-D231 PolarHBondContact O-N 2.89Å; Q227-L339 HydrophobicContact CB-CD2 4.03Å; Q227-L339 VanDerWaalsContact OE1-CD2 3.24Å |
| 228 | V | 93.8 | Very high | 94.1 | Very high | 94 Ų | 94 | 36 Ų | 36 | 57% | 0.57 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -59.5 | -37.5 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 112.6 | V156 G226 K232 | V156-V228 HydrophobicContact CG1-CG1 4.49Å; V156-V228 HydrophobicContact CG2-CB 4.47Å; V156-V228 HydrophobicContact CG2-CG1 4.49Å; G226-V228 VanDerWaalsContact C-N 3.29Å; G226-V228 PolarHBondContact O-N 3.3Å; V228-K232 VanDerWaalsContact O-CB 3.29Å; V228-K232 WeakPolarHBondContact O-CB 3.33Å; V228-K232 PolarHBondContact O-N 2.97Å; V228-K232 VanDerWaalsContact O-N 3.11Å |
| 229 | L | 95.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 36.8 Ų | 36.8 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -76.1 | -32.6 | 176 | -63.3 | 178.7 | 0 | 0 | 0 | 111.6 | R152 W155 V156 F162 I223 G226 Q227 T233 | R152-L229 HydrophobicContact CB-CD1 3.9Å; R152-L229 HydrophobicContact CG-CD1 3.74Å; W155-L229 HydrophobicContact CB-CD2 3.81Å; W155-L229 HydrophobicContact CE3-CD1 4.47Å; V156-L229 HydrophobicContact CG2-CD1 4.32Å; V156-L229 HydrophobicContact CG2-CD2 3.79Å; V156-L229 HydrophobicContact CG2-CG 3.84Å; F162-L229 HydrophobicContact CD1-CD2 4.43Å; F162-L229 HydrophobicContact CD2-CD2 4.04Å; F162-L229 HydrophobicContact CE2-CD2 4.12Å; F162-L229 HydrophobicContact CG-CD2 4.19Å; F162-L229 HydrophobicContact CZ-CB 4.31Å; F162-L229 HydrophobicContact CZ-CD2 4.37Å; I223-L229 HydrophobicContact CG2-CB 4.46Å; G226-L229 PolarHBondContact O-N 3.43Å; Q227-L229 VanDerWaalsContact C-N 3.29Å; Q227-L229 PolarHBondContact O-N 3.5Å; L229-T233 WeakPolarHBondContact O-CB 3.11Å; L229-T233 PolarHBondContact O-N 2.92Å; L229-T233 PolarHBondContact O-OG1 3.24Å |
| 230 | Y | 96.6 | Very high | 94 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62 | -56.7 | 172.4 | -176.3 | -106.9 | 0 | 0 | 0 | 110.8 | I223 G226 Q227 K232 T233 I234 R324 L327 L331 L339 D343 | I223-Y230 HydrophobicContact CD1-CD2 4.24Å; I223-Y230 HydrophobicContact CG2-CD2 4.42Å; G226-Y230 PolarHBondContact O-N 3.11Å; Q227-Y230 WeakPolarHBondContact O-CA 3.47Å; Q227-Y230 WeakPolarHBondContact O-CB 3.23Å; Q227-Y230 PolarHBondContact O-N 3.2Å; Y230-K232 VanDerWaalsContact C-N 3.28Å; Y230-K232 PolarHBondContact O-N 3.3Å; Y230-T233 WeakPolarHBondContact O-CA 3.49Å; Y230-T233 VanDerWaalsContact O-CB 3.29Å; Y230-T233 WeakPolarHBondContact O-CB 3.42Å; Y230-T233 PolarHBondContact O-N 2.92Å; Y230-I234 HydrophobicContact CD1-CG1 4.26Å; Y230-I234 HydrophobicContact CD2-CG1 4.47Å; Y230-I234 HydrophobicContact CE1-CD1 4.43Å; Y230-I234 HydrophobicContact CE1-CG1 3.81Å; Y230-I234 HydrophobicContact CE2-CD1 3.81Å; Y230-I234 HydrophobicContact CE2-CG1 4.01Å; Y230-I234 WeakPolarHBondContact O-CG1 3.49Å; Y230-I234 PolarHBondContact O-N 3.46Å; Y230-R324 PolarHBondContact OH-NH1 2.97Å; Y230-R324 VanDerWaalsContact OH-NH1 3.11Å; Y230-L327 HydrophobicContact CE2-CD2 4.39Å; Y230-L331 HydrophobicContact CD2-CD1 3.57Å; Y230-L331 HydrophobicContact CE2-CD1 3.25Å; Y230-L339 HydrophobicContact CG-CD1 4.48Å; Y230-D343 PolarHBondContact OH-OD2 3.03Å |
| 231 | D | 94.4 | Very high | 94 | Very high | 79 Ų | 79 | 37 Ų | 37 | 42% | 0.422 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.5 | -38.9 | -178.1 | -63 | -37.3 | 0 | 0 | 0 | 111.5 | Q227 I234 S235 | Q227-D231 WeakPolarHBondContact CG-OD2 3.33Å; Q227-D231 PolarHBondContact NE2-OD1 3.12Å; Q227-D231 PolarHBondContact NE2-OD2 2.76Å; Q227-D231 PolarHBondContact O-N 2.89Å; D231-I234 PolarHBondContact O-N 2.88Å; D231-S235 PolarHBondContact O-N 3.49Å |
| 232 | K | 94.7 | Very high | 93.9 | Very high | 69 Ų | 69 | 34.7 Ų | 34.7 | 30% | 0.3 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.8 | -35.2 | 174.1 | -171.2 | 55.2 | 179.2 | 167.3 | 0 | 112.8 | F162 V228 Y230 S235 I236 | F162-K232 HydrophobicContact CD1-CB 4.48Å; F162-K232 HydrophobicContact CD1-CG 4.02Å; F162-K232 HydrophobicContact CE1-CB 4.38Å; F162-K232 HydrophobicContact CE1-CG 4.33Å; V228-K232 VanDerWaalsContact O-CB 3.29Å; V228-K232 WeakPolarHBondContact O-CB 3.33Å; V228-K232 PolarHBondContact O-N 2.97Å; V228-K232 VanDerWaalsContact O-N 3.11Å; Y230-K232 VanDerWaalsContact C-N 3.28Å; Y230-K232 PolarHBondContact O-N 3.3Å; K232-S235 PolarHBondContact O-N 3.41Å; K232-I236 HydrophobicContact CD-CD1 4.29Å; K232-I236 HydrophobicContact CD-CG1 4.43Å; K232-I236 HydrophobicContact CG-CD1 4.03Å; K232-I236 VanDerWaalsContact O-CG1 3.31Å; K232-I236 WeakPolarHBondContact O-CG1 3.26Å; K232-I236 PolarHBondContact O-N 2.93Å |
| 233 | T | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.9 | -47.9 | 171.6 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | F162 L166 I219 I223 L229 Y230 S235 I236 L237 L327 | F162-T233 VanDerWaalsContact CZ-OG1 3.3Å; F162-T233 WeakPolarHBondContact CZ-OG1 3.41Å; L166-T233 HydrophobicContact CD1-CG2 4.35Å; L166-T233 HydrophobicContact CD2-CG2 3.93Å; I219-T233 HydrophobicContact CG2-CG2 4.1Å; I223-T233 HydrophobicContact CD1-CG2 4.1Å; L229-T233 WeakPolarHBondContact O-CB 3.11Å; L229-T233 PolarHBondContact O-N 2.92Å; L229-T233 PolarHBondContact O-OG1 3.24Å; Y230-T233 WeakPolarHBondContact O-CA 3.49Å; Y230-T233 VanDerWaalsContact O-CB 3.29Å; Y230-T233 WeakPolarHBondContact O-CB 3.42Å; Y230-T233 PolarHBondContact O-N 2.92Å; T233-S235 VanDerWaalsContact C-N 3.35Å; T233-S235 PolarHBondContact O-N 2.83Å; T233-I236 PolarHBondContact O-N 2.76Å; T233-L237 HydrophobicContact CG2-CD1 4.04Å; T233-L237 HydrophobicContact CG2-CG 4.32Å; T233-L237 WeakPolarHBondContact O-CG 3.49Å; T233-L237 PolarHBondContact O-N 3.28Å; T233-L327 HydrophobicContact CG2-CD2 3.82Å |
| 234 | I | 95.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.4 | -38.4 | -179.2 | -55 | -46.7 | 0 | 0 | 0 | 111.1 | Y230 D231 L237 R238 L327 | Y230-I234 HydrophobicContact CD1-CG1 4.26Å; Y230-I234 HydrophobicContact CD2-CG1 4.47Å; Y230-I234 HydrophobicContact CE1-CD1 4.43Å; Y230-I234 HydrophobicContact CE1-CG1 3.81Å; Y230-I234 HydrophobicContact CE2-CD1 3.81Å; Y230-I234 HydrophobicContact CE2-CG1 4.01Å; Y230-I234 WeakPolarHBondContact O-CG1 3.49Å; Y230-I234 PolarHBondContact O-N 3.46Å; D231-I234 PolarHBondContact O-N 2.88Å; I234-L237 HydrophobicContact CD1-CD1 4.3Å; I234-L237 PolarHBondContact O-N 3.42Å; I234-R238 HydrophobicContact CG2-CG 4.49Å; I234-R238 VanDerWaalsContact CG2-CZ 3.49Å; I234-R238 WeakPolarHBondContact O-CD 3.42Å; I234-R238 VanDerWaalsContact O-CG 3.24Å; I234-R238 WeakPolarHBondContact O-CG 3.29Å; I234-R238 PolarHBondContact O-N 3.09Å; I234-L327 HydrophobicContact CD1-CD2 3.89Å |
| 235 | S | 94.4 | Very high | 93.9 | Very high | 35 Ų | 35 | 41 Ų | 41 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.7 | -55.7 | 168.8 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | D231 K232 T233 L237 R238 D239 | D231-S235 PolarHBondContact O-N 3.49Å; K232-S235 PolarHBondContact O-N 3.41Å; T233-S235 VanDerWaalsContact C-N 3.35Å; T233-S235 PolarHBondContact O-N 2.83Å; S235-L237 VanDerWaalsContact C-N 3.32Å; S235-L237 PolarHBondContact O-N 3.42Å; S235-R238 PolarHBondContact O-N 2.9Å; S235-R238 VanDerWaalsContact O-N 3.15Å; S235-D239 WeakPolarHBondContact O-CB 3.4Å; S235-D239 VanDerWaalsContact O-CG 3.23Å; S235-D239 PolarHBondContact O-N 3.08Å; S235-D239 PolarHBondContact OG-OD2 2.88Å; S235-D239 VanDerWaalsContact OG-OD2 3.11Å |
| 236 | I | 95.7 | Very high | 94.1 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -40.8 | -177.4 | -67.4 | 163.2 | 0 | 0 | 0 | 111.3 | F162 Q163 L166 I170 K232 T233 D239 Q240 | F162-I236 HydrophobicContact CD1-CD1 4.18Å; F162-I236 HydrophobicContact CE1-CD1 4.41Å; Q163-I236 HydrophobicContact CB-CD1 3.86Å; Q163-I236 HydrophobicContact CG-CD1 3.97Å; Q163-I236 HydrophobicContact CG-CG1 4.39Å; L166-I236 HydrophobicContact CD2-CB 3.94Å; L166-I236 HydrophobicContact CD2-CD1 3.81Å; L166-I236 HydrophobicContact CD2-CG1 4.49Å; L166-I236 HydrophobicContact CD2-CG2 3.85Å; L166-I236 HydrophobicContact CG-CG2 4.48Å; I170-I236 HydrophobicContact CD1-CG2 4.42Å; K232-I236 HydrophobicContact CD-CD1 4.29Å; K232-I236 HydrophobicContact CD-CG1 4.43Å; K232-I236 HydrophobicContact CG-CD1 4.03Å; K232-I236 VanDerWaalsContact O-CG1 3.31Å; K232-I236 WeakPolarHBondContact O-CG1 3.26Å; K232-I236 PolarHBondContact O-N 2.93Å; T233-I236 PolarHBondContact O-N 2.76Å; I236-D239 PolarHBondContact O-N 3.08Å; I236-Q240 HydrophobicContact CG2-CG 4.14Å; I236-Q240 WeakPolarHBondContact O-CB 3.31Å; I236-Q240 VanDerWaalsContact O-CG 3.27Å; I236-Q240 WeakPolarHBondContact O-CG 3.46Å; I236-Q240 PolarHBondContact O-N 3.09Å |
| 237 | L | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 176 | -71.6 | 175.7 | 0 | 0 | 0 | 112.4 | I170 T233 I234 S235 C241 L320 L323 L327 | I170-L237 HydrophobicContact CD1-CD2 3.83Å; I170-L237 HydrophobicContact CG1-CD2 4.28Å; T233-L237 HydrophobicContact CG2-CD1 4.04Å; T233-L237 HydrophobicContact CG2-CG 4.32Å; T233-L237 WeakPolarHBondContact O-CG 3.49Å; T233-L237 PolarHBondContact O-N 3.28Å; I234-L237 HydrophobicContact CD1-CD1 4.3Å; I234-L237 PolarHBondContact O-N 3.42Å; S235-L237 VanDerWaalsContact C-N 3.32Å; S235-L237 PolarHBondContact O-N 3.42Å; L237-C241 VanDerWaalsContact O-CB 3.26Å; L237-C241 WeakPolarHBondContact O-CB 3.47Å; L237-C241 PolarHBondContact O-N 2.91Å; L237-L320 HydrophobicContact CD2-CD2 3.79Å; L237-L323 HydrophobicContact CD2-CD2 3.81Å; L237-L323 HydrophobicContact CD2-CG 4.26Å; L237-L327 HydrophobicContact CD1-CD2 4.07Å |
| 238 | R | 94.5 | Very high | 94.2 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 17% | 0.166 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.9 | -68.1 | 164.5 | -179.3 | 157.6 | 1.5 | 111.2 | I234 S235 C241 I242 D452 M455 | I234-R238 HydrophobicContact CG2-CG 4.49Å; I234-R238 VanDerWaalsContact CG2-CZ 3.49Å; I234-R238 WeakPolarHBondContact O-CD 3.42Å; I234-R238 VanDerWaalsContact O-CG 3.24Å; I234-R238 WeakPolarHBondContact O-CG 3.29Å; I234-R238 PolarHBondContact O-N 3.09Å; S235-R238 PolarHBondContact O-N 2.9Å; S235-R238 VanDerWaalsContact O-N 3.15Å; R238-C241 PolarHBondContact O-N 3.02Å; R238-I242 WeakPolarHBondContact O-CD1 3.38Å; R238-I242 VanDerWaalsContact O-CG1 3.28Å; R238-I242 WeakPolarHBondContact O-CG1 3.3Å; R238-I242 PolarHBondContact O-N 2.79Å; R238-D452 IonicContact CZ-OD1 2.71Å; R238-D452 IonicContact CZ-OD2 3.66Å; R238-D452 IonicContact NE-OD1 2.92Å; R238-D452 PolarHBondContact NE-OD1 3Å; R238-D452 IonicContact NE-OD2 2.74Å; R238-D452 VanDerWaalsContact NH2-CG 3.31Å; R238-D452 IonicContact NH2-OD1 2.99Å; R238-D452 PolarHBondContact NH2-OD1 2.97Å; R238-D452 IonicContact NH2-OD2 2.71Å; R238-D452 PolarHBondContact NH2-OD2 2.98Å; R238-M455 HydrophobicContact CG-SD 4.17Å |
| 239 | D | 94.1 | Very high | 93.9 | Very high | 90 Ų | 90 | 34.9 Ų | 34.9 | 48% | 0.481 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.4 | -44.2 | -177.2 | -67 | -39.4 | 0 | 0 | 0 | 111.8 | S235 I236 K243 | S235-D239 WeakPolarHBondContact O-CB 3.4Å; S235-D239 VanDerWaalsContact O-CG 3.23Å; S235-D239 PolarHBondContact O-N 3.08Å; S235-D239 PolarHBondContact OG-OD2 2.88Å; S235-D239 VanDerWaalsContact OG-OD2 3.11Å; I236-D239 PolarHBondContact O-N 3.08Å; D239-K243 WeakPolarHBondContact O-CB 3.42Å; D239-K243 PolarHBondContact O-N 2.88Å |
| 240 | Q | 94.8 | Very high | 93.6 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 14% | 0.136 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.5 | -35.9 | 174 | -65 | -72 | 19.4 | 0 | 0 | 111.9 | D167 I236 K243 C244 L320 | D167-Q240 PolarHBondContact OD1-NE2 2.95Å; D167-Q240 PolarHBondContact OD2-NE2 3.27Å; D167-Q240 VanDerWaalsContact OD2-NE2 3.13Å; I236-Q240 HydrophobicContact CG2-CG 4.14Å; I236-Q240 WeakPolarHBondContact O-CB 3.31Å; I236-Q240 VanDerWaalsContact O-CG 3.27Å; I236-Q240 WeakPolarHBondContact O-CG 3.46Å; I236-Q240 PolarHBondContact O-N 3.09Å; Q240-K243 WeakPolarHBondContact O-CB 3.48Å; Q240-K243 PolarHBondContact O-N 3.47Å; Q240-C244 WeakPolarHBondContact O-CB 3.24Å; Q240-C244 PolarHBondContact O-N 3.13Å; Q240-C244 PolarHBondContact O-SG 2.8Å; Q240-L320 HydrophobicContact CB-CD1 3.84Å |
| 241 | C | 94.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -47.4 | 178.2 | -159.2 | 0 | 0 | 0 | 0 | 111.1 | L237 R238 K243 C244 E245 L320 C321 M455 | L237-C241 VanDerWaalsContact O-CB 3.26Å; L237-C241 WeakPolarHBondContact O-CB 3.47Å; L237-C241 PolarHBondContact O-N 2.91Å; R238-C241 PolarHBondContact O-N 3.02Å; C241-K243 VanDerWaalsContact C-N 3.29Å; C241-K243 PolarHBondContact O-N 2.84Å; C241-C244 PolarHBondContact O-N 2.91Å; C241-E245 PolarHBondContact O-N 3.37Å; C241-E245 PolarHBondContact SG-OE1 3.07Å; C241-L320 HydrophobicContact CB-CB 4.17Å; C241-L320 HydrophobicContact CB-CD1 4.22Å; C241-C321 VanDerWaalsContact SG-SG 3.69Å; C241-M455 HydrophobicContact CB-CE 3.85Å; C241-M455 HydrophobicContact CB-SD 4.35Å |
| 242 | I | 91.9 | Very high | 92.7 | Very high | 37 Ų | 37 | 37.1 Ų | 37.1 | 19% | 0.19 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -38.3 | 174.5 | -67 | 164.3 | 0 | 0 | 0 | 111.2 | R238 K246 K451 | R238-I242 WeakPolarHBondContact O-CD1 3.38Å; R238-I242 VanDerWaalsContact O-CG1 3.28Å; R238-I242 WeakPolarHBondContact O-CG1 3.3Å; R238-I242 PolarHBondContact O-N 2.79Å; I242-K246 HydrophobicContact CG2-CD 3.95Å; I242-K246 VanDerWaalsContact CG2-CE 3.49Å; I242-K246 WeakPolarHBondContact O-CB 3.02Å; I242-K246 VanDerWaalsContact O-CG 3.26Å; I242-K246 WeakPolarHBondContact O-CG 3.34Å; I242-K246 PolarHBondContact O-N 2.91Å; I242-K451 HydrophobicContact CD1-CD 4.06Å |
| 243 | K | 94.3 | Very high | 92.1 | Very high | 99 Ų | 99 | 36.4 Ų | 36.4 | 43% | 0.43 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -65 | -44 | 175.3 | -175.2 | -175.2 | 176.1 | -172.2 | 0 | 111.6 | D239 Q240 C241 A247 | D239-K243 WeakPolarHBondContact O-CB 3.42Å; D239-K243 PolarHBondContact O-N 2.88Å; Q240-K243 WeakPolarHBondContact O-CB 3.48Å; Q240-K243 PolarHBondContact O-N 3.47Å; C241-K243 VanDerWaalsContact C-N 3.29Å; C241-K243 PolarHBondContact O-N 2.84Å; K243-A247 WeakPolarHBondContact O-CB 3.46Å; K243-A247 PolarHBondContact O-N 3.42Å |
| 244 | C | 94.6 | Very high | 91.5 | Very high | 20 Ų | 20 | 41.9 Ų | 41.9 | 14% | 0.135 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 176.5 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | Q240 C241 A247 A248 P313 A316 | Q240-C244 WeakPolarHBondContact O-CB 3.24Å; Q240-C244 PolarHBondContact O-N 3.13Å; Q240-C244 PolarHBondContact O-SG 2.8Å; C241-C244 PolarHBondContact O-N 2.91Å; C244-A247 PolarHBondContact O-N 3.23Å; C244-A248 WeakPolarHBondContact O-CB 3.45Å; C244-A248 PolarHBondContact O-N 3.5Å; C244-P313 WeakPolarHBondContact O-CB 3.43Å; C244-A316 HydrophobicContact CB-CB 4.19Å |
| 245 | E | 90.7 | Very high | 90.6 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 11% | 0.107 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -49.6 | 174.8 | -79.9 | 151.1 | -150.7 | 0 | 0 | 112.1 | C241 A247 A248 Y249 S317 H454 R458 | C241-E245 PolarHBondContact O-N 3.37Å; C241-E245 PolarHBondContact SG-OE1 3.07Å; E245-A247 VanDerWaalsContact C-N 3.29Å; E245-A247 PolarHBondContact O-N 3.19Å; E245-A248 WeakPolarHBondContact O-CB 3.45Å; E245-A248 PolarHBondContact O-N 3.44Å; E245-A248 VanDerWaalsContact O-N 3.11Å; E245-Y249 HydrophobicContact CB-CD2 4.49Å; E245-Y249 HydrophobicContact CB-CE2 4.35Å; E245-Y249 WeakPolarHBondContact O-CD2 3.31Å; E245-Y249 PolarHBondContact O-N 2.67Å; E245-S317 WeakPolarHBondContact CG-OG 3.47Å; E245-S317 PolarHBondContact OE1-OG 3.19Å; E245-H454 IonicContact OE1-CE1 4Å; E245-H454 PolarHBondContact OE1-CE1 2.74Å; E245-H454 IonicContact OE2-CE1 3.25Å; E245-H454 PolarHBondContact OE2-CE1 2.75Å; E245-R458 IonicContact OE1-CZ 2.73Å; E245-R458 IonicContact OE1-NE 3.79Å; E245-R458 IonicContact OE1-NH2 2.75Å |
| 246 | K | 90.4 | Very high | 89.8 | Confident | 130 Ų | 130 | 45.8 Ų | 45.8 | 57% | 0.565 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -58.7 | -40 | 176.1 | -74.1 | 170.9 | 179.8 | 174.5 | 0 | 112.1 | I242 S250 | I242-K246 HydrophobicContact CG2-CD 3.95Å; I242-K246 VanDerWaalsContact CG2-CE 3.49Å; I242-K246 WeakPolarHBondContact O-CB 3.02Å; I242-K246 VanDerWaalsContact O-CG 3.26Å; I242-K246 WeakPolarHBondContact O-CG 3.34Å; I242-K246 PolarHBondContact O-N 2.91Å; K246-S250 VanDerWaalsContact O-CB 3.29Å; K246-S250 WeakPolarHBondContact O-CB 3.36Å; K246-S250 PolarHBondContact O-N 3.03Å |
| 247 | A | 93.4 | Very high | 89 | Confident | 43 Ų | 43 | 51.5 Ų | 51.5 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K243 C244 E245 S250 L251 P313 | K243-A247 WeakPolarHBondContact O-CB 3.46Å; K243-A247 PolarHBondContact O-N 3.42Å; C244-A247 PolarHBondContact O-N 3.23Å; E245-A247 VanDerWaalsContact C-N 3.29Å; E245-A247 PolarHBondContact O-N 3.19Å; A247-S250 PolarHBondContact O-N 3.44Å; A247-L251 WeakPolarHBondContact O-CB 3.26Å; A247-L251 PolarHBondContact O-N 2.79Å; A247-P313 HydrophobicContact CB-CB 3.96Å; A247-P313 HydrophobicContact CB-CG 4.18Å |
| 248 | A | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | C244 E245 M252 L306 N311 P313 | C244-A248 WeakPolarHBondContact O-CB 3.45Å; C244-A248 PolarHBondContact O-N 3.5Å; E245-A248 WeakPolarHBondContact O-CB 3.45Å; E245-A248 PolarHBondContact O-N 3.44Å; E245-A248 VanDerWaalsContact O-N 3.11Å; A248-M252 WeakPolarHBondContact O-CB 3.27Å; A248-M252 PolarHBondContact O-N 2.73Å; A248-M252 VanDerWaalsContact O-N 3.09Å; A248-L306 HydrophobicContact CB-CD1 3.58Å; A248-L306 HydrophobicContact CB-CD2 4Å; A248-L306 HydrophobicContact CB-CG 4.46Å; A248-N311 PolarHBondContact O-ND2 3.12Å; A248-P313 HydrophobicContact CB-CB 3.93Å |
| 249 | Y | 88.3 | Confident | 86.7 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 7% | 0.067 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 176 | -73.3 | -58.3 | 0 | 0 | 0 | 112.2 | E245 M252 E253 L306 D504 Y508 | E245-Y249 HydrophobicContact CB-CD2 4.49Å; E245-Y249 HydrophobicContact CB-CE2 4.35Å; E245-Y249 WeakPolarHBondContact O-CD2 3.31Å; E245-Y249 PolarHBondContact O-N 2.67Å; Y249-M252 WeakPolarHBondContact O-CB 3.43Å; Y249-M252 PolarHBondContact O-N 2.99Å; Y249-E253 PolarHBondContact O-N 3.06Å; Y249-L306 HydrophobicContact CD1-CD1 3.41Å; Y249-L306 VanDerWaalsContact CD1-CD1 3.41Å; Y249-L306 HydrophobicContact CD1-CG 4.05Å; Y249-L306 HydrophobicContact CD2-CD1 4.05Å; Y249-L306 HydrophobicContact CE1-CD1 3.4Å; Y249-L306 HydrophobicContact CE1-CG 3.94Å; Y249-L306 HydrophobicContact CE2-CD1 4Å; Y249-L306 HydrophobicContact CG-CD1 3.77Å; Y249-D504 PolarHBondContact OH-N 2.9Å; Y249-D504 PolarHBondContact OH-OD1 2.98Å; Y249-Y508 HydrophobicContact CD1-CD2 4.16Å; Y249-Y508 HydrophobicContact CD1-CG 4.09Å; Y249-Y508 AromaticContact CD2-CD2 3.87Å; Y249-Y508 HydrophobicContact CD2-CD2 3.87Å; Y249-Y508 HydrophobicContact CD2-CE2 4.3Å; Y249-Y508 HydrophobicContact CD2-CG 4.27Å; Y249-Y508 HydrophobicContact CE1-CD2 4.25Å; Y249-Y508 HydrophobicContact CE2-CD2 4.03Å; Y249-Y508 HydrophobicContact CE2-CE2 4.44Å; Y249-Y508 AromaticContact CG-CD2 3.95Å; Y249-Y508 HydrophobicContact CG-CD2 3.95Å; Y249-Y508 AromaticContact CG-CG 3.92Å; Y249-Y508 HydrophobicContact CG-CG 3.92Å |
| 250 | S | 89.4 | Confident | 85.5 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 43% | 0.427 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 178.3 | -175.9 | 0 | 0 | 0 | 0 | 112.2 | K246 A247 M252 E253 Q254 | K246-S250 VanDerWaalsContact O-CB 3.29Å; K246-S250 WeakPolarHBondContact O-CB 3.36Å; K246-S250 PolarHBondContact O-N 3.03Å; A247-S250 PolarHBondContact O-N 3.44Å; S250-M252 VanDerWaalsContact C-N 3.31Å; S250-M252 PolarHBondContact O-N 3.39Å; S250-E253 PolarHBondContact O-N 2.92Å; S250-E253 VanDerWaalsContact O-N 3.14Å; S250-Q254 WeakPolarHBondContact O-CG 3.1Å; S250-Q254 PolarHBondContact O-N 3.5Å |
| 251 | L | 88.3 | Confident | 83.5 | Confident | 63 Ų | 63 | 57 Ų | 57 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.9 | -34.5 | 177.1 | -174 | 138.6 | 0 | 0 | 0 | 112.1 | A247 Q255 N311 | A247-L251 WeakPolarHBondContact O-CB 3.26Å; A247-L251 PolarHBondContact O-N 2.79Å; L251-Q255 WeakPolarHBondContact O-CG 3.36Å; L251-Q255 PolarHBondContact O-N 2.92Å; L251-Q255 VanDerWaalsContact O-N 3.12Å; L251-N311 HydrophobicContact CD2-CB 3.99Å |
| 252 | M | 82.8 | Confident | 81.2 | Confident | 10 Ų | 10 | 62 Ų | 62 | 5% | 0.049 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 169.2 | 148.4 | 165 | -83.4 | 0 | 0 | 112.1 | A248 Y249 S250 Q254 Q255 I256 Y303 I304 L306 | A248-M252 WeakPolarHBondContact O-CB 3.27Å; A248-M252 PolarHBondContact O-N 2.73Å; A248-M252 VanDerWaalsContact O-N 3.09Å; Y249-M252 WeakPolarHBondContact O-CB 3.43Å; Y249-M252 PolarHBondContact O-N 2.99Å; S250-M252 VanDerWaalsContact C-N 3.31Å; S250-M252 PolarHBondContact O-N 3.39Å; M252-Q254 VanDerWaalsContact C-N 3.29Å; M252-Q254 PolarHBondContact O-N 3.31Å; M252-Q255 PolarHBondContact O-N 2.95Å; M252-Q255 VanDerWaalsContact O-N 3.15Å; M252-I256 HydrophobicContact CG-CD1 3.89Å; M252-I256 WeakPolarHBondContact O-CG1 3.35Å; M252-I256 PolarHBondContact O-N 3.27Å; M252-Y303 HydrophobicContact CE-CD2 3.4Å; M252-Y303 HydrophobicContact CE-CE2 3.21Å; M252-Y303 HydrophobicContact CE-CG 4.38Å; M252-Y303 HydrophobicContact SD-CD2 4.06Å; M252-Y303 HydrophobicContact SD-CE2 3.49Å; M252-Y303 WeakPolarHBondContact SD-CE2 3.36Å; M252-I304 WeakPolarHBondContact CE-O 3.27Å; M252-L306 HydrophobicContact SD-CD2 4.43Å |
| 253 | E | 82.2 | Confident | 78.7 | Confident | 54 Ų | 54 | 67 Ų | 67 | 25% | 0.252 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.6 | -35.6 | -179.8 | -161.1 | -175.5 | 135 | 0 | 0 | 111.5 | Y249 S250 I256 K257 | Y249-E253 PolarHBondContact O-N 3.06Å; S250-E253 PolarHBondContact O-N 2.92Å; S250-E253 VanDerWaalsContact O-N 3.14Å; E253-I256 PolarHBondContact O-N 2.72Å; E253-K257 HydrophobicContact CG-CD 4.32Å; E253-K257 WeakPolarHBondContact O-CB 3.48Å; E253-K257 VanDerWaalsContact O-CG 3.31Å; E253-K257 WeakPolarHBondContact O-CG 3.21Å; E253-K257 PolarHBondContact O-N 3.43Å; E253-K257 VanDerWaalsContact OE1-CE 3.25Å; E253-K257 WeakPolarHBondContact OE1-CE 3.43Å; E253-K257 IonicContact OE1-NZ 3.91Å; E253-K257 PolarHBondContact OE1-NZ 3.37Å |
| 254 | Q | 83.6 | Confident | 75.7 | Confident | 116 Ų | 116 | 69 Ų | 69 | 54% | 0.542 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 170.9 | -69.9 | 170.2 | -6.1 | 0 | 0 | 112.4 | S250 M252 K257 S258 | S250-Q254 WeakPolarHBondContact O-CG 3.1Å; S250-Q254 PolarHBondContact O-N 3.5Å; M252-Q254 VanDerWaalsContact C-N 3.29Å; M252-Q254 PolarHBondContact O-N 3.31Å; Q254-K257 PolarHBondContact O-N 2.85Å; Q254-S258 WeakPolarHBondContact O-CB 3.49Å; Q254-S258 PolarHBondContact O-N 3.46Å; Q254-S258 PolarHBondContact O-OG 3.5Å |
| 255 | Q | 77.2 | Confident | 72.7 | Confident | 102 Ų | 102 | 74 Ų | 74 | 48% | 0.477 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.8 | -36.9 | 176 | -73.6 | 177.9 | -11.3 | 0 | 0 | 112.8 | L251 M252 S258 T259 | L251-Q255 WeakPolarHBondContact O-CG 3.36Å; L251-Q255 PolarHBondContact O-N 2.92Å; L251-Q255 VanDerWaalsContact O-N 3.12Å; M252-Q255 PolarHBondContact O-N 2.95Å; M252-Q255 VanDerWaalsContact O-N 3.15Å; Q255-S258 WeakPolarHBondContact CA-OG 3.41Å; Q255-S258 PolarHBondContact O-OG 3.4Å; Q255-T259 PolarHBondContact O-N 2.89Å; Q255-T259 PolarHBondContact O-OG1 3.35Å |
| 256 | I | 77.9 | Confident | 69.7 | Low | 19 Ų | 19 | 77.7 Ų | 77.7 | 10% | 0.097 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.8 | -50.1 | 173.7 | -66.9 | 166.8 | 0 | 0 | 0 | 109.7 | M252 E253 T259 I260 I301 Y303 | M252-I256 HydrophobicContact CG-CD1 3.89Å; M252-I256 WeakPolarHBondContact O-CG1 3.35Å; M252-I256 PolarHBondContact O-N 3.27Å; E253-I256 PolarHBondContact O-N 2.72Å; I256-T259 PolarHBondContact O-N 2.93Å; I256-I260 HydrophobicContact CG2-CD1 4.3Å; I256-I260 WeakPolarHBondContact O-CG1 3.27Å; I256-I260 PolarHBondContact O-N 2.72Å; I256-I301 HydrophobicContact CG2-CG2 4.01Å; I256-Y303 HydrophobicContact CD1-CD2 4.2Å |
| 257 | K | 79 | Confident | 67.1 | Low | 123 Ų | 123 | 79.4 Ų | 79.4 | 54% | 0.535 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62 | -45 | -179.2 | -77 | 169.5 | 169.8 | 171.8 | 0 | 113.5 | E253 Q254 T259 I260 G261 | E253-K257 HydrophobicContact CG-CD 4.32Å; E253-K257 WeakPolarHBondContact O-CB 3.48Å; E253-K257 VanDerWaalsContact O-CG 3.31Å; E253-K257 WeakPolarHBondContact O-CG 3.21Å; E253-K257 PolarHBondContact O-N 3.43Å; E253-K257 VanDerWaalsContact OE1-CE 3.25Å; E253-K257 WeakPolarHBondContact OE1-CE 3.43Å; E253-K257 IonicContact OE1-NZ 3.91Å; E253-K257 PolarHBondContact OE1-NZ 3.37Å; Q254-K257 PolarHBondContact O-N 2.85Å; K257-T259 PolarHBondContact O-N 2.93Å; K257-I260 WeakPolarHBondContact O-CB 3.31Å; K257-I260 PolarHBondContact O-N 2.9Å; K257-G261 PolarHBondContact O-N 3.22Å |
| 258 | S | 75.4 | Confident | 63.9 | Low | 72 Ų | 72 | 87.1 Ų | 87.1 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.1 | -27.8 | 177.1 | 48.9 | 0 | 0 | 0 | 0 | 113 | Q254 Q255 | Q254-S258 WeakPolarHBondContact O-CB 3.49Å; Q254-S258 PolarHBondContact O-N 3.46Å; Q254-S258 PolarHBondContact O-OG 3.5Å; Q255-S258 WeakPolarHBondContact CA-OG 3.41Å; Q255-S258 PolarHBondContact O-OG 3.4Å |
| 259 | T | 67.6 | Low | 61.5 | Low | 69 Ų | 69 | 93.8 Ų | 93.8 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -75.8 | -23.5 | 174.1 | -48.3 | 0 | 0 | 0 | 0 | 112.9 | Q255 I256 K257 P302 | Q255-T259 PolarHBondContact O-N 2.89Å; Q255-T259 PolarHBondContact O-OG1 3.35Å; I256-T259 PolarHBondContact O-N 2.93Å; K257-T259 PolarHBondContact O-N 2.93Å; T259-P302 HydrophobicContact CG2-CG 3.74Å |
| 260 | I | 67.8 | Low | 58.8 | Low | 89 Ų | 89 | 100.3 Ų | 100.3 | 46% | 0.456 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -80.2 | -39.1 | 174 | -59.7 | 165.1 | 0 | 0 | 0 | 110.8 | I256 K257 N262 I301 | I256-I260 HydrophobicContact CG2-CD1 4.3Å; I256-I260 WeakPolarHBondContact O-CG1 3.27Å; I256-I260 PolarHBondContact O-N 2.72Å; K257-I260 WeakPolarHBondContact O-CB 3.31Å; K257-I260 PolarHBondContact O-N 2.9Å; I260-N262 VanDerWaalsContact C-N 3.25Å; I260-N262 PolarHBondContact O-N 2.97Å; I260-I301 HydrophobicContact CD1-CD1 3.88Å; I260-I301 HydrophobicContact CG1-CD1 3.7Å; I260-I301 HydrophobicContact CG1-CG1 4.2Å |
| 261 | G | 54.1 | Low | 56 | Low | 49 Ų | 49 | 106 Ų | 106 | 51% | 0.505 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | -6.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | K257 N263 | K257-G261 PolarHBondContact O-N 3.22Å; G261-N263 PolarHBondContact O-N 3.28Å |
| 262 | N | 45.6 | Very low | 53.3 | Low | 107 Ų | 107 | 111.9 Ų | 111.9 | 57% | 0.572 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | 0.3 | 178.3 | -93.3 | 16.8 | 0 | 0 | 0 | 114.3 | I260 A998 | I260-N262 VanDerWaalsContact C-N 3.25Å; I260-N262 PolarHBondContact O-N 2.97Å; N262-A998 PolarHBondContact ND2-O 3.39Å |
| 263 | N | 40.7 | Very low | 50.9 | Low | 140 Ų | 140 | 116.9 Ų | 116.9 | 75% | 0.749 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -99.9 | 84.2 | 174.1 | -67 | -30.7 | 0 | 0 | 0 | 110.7 | G261 | G261-N263 PolarHBondContact O-N 3.28Š|
| 264 | N | 30.3 | Very low | 48.5 | Very low | 142 Ų | 142 | 120.1 Ų | 120.1 | 76% | 0.759 | 65% | 0.651 | S | S | * | * | trans | 56.8 | 106.8 | 171.5 | -61.4 | -0.3 | 0 | 0 | 0 | 118.2 | ||||
| 265 | P | 31.1 | Very low | 46.1 | Very low | 125 Ų | 125 | 120.8 Ų | 120.8 | 81% | 0.812 | 67% | 0.665 | S | S | * | * | trans | -104.4 | 89.9 | 144.1 | 33.9 | -23.8 | 0 | 0 | 0 | 109.4 | ||||
| 266 | S | 29 | Very low | 44 | Very low | 100 Ų | 100 | 120.3 Ų | 120.3 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | trans | -105 | 118.1 | 169.8 | -64.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 267 | E | 34.2 | Very low | 41.9 | Very low | 166 Ų | 166 | 128.7 Ų | 128.7 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | trans | 58.9 | 91.7 | 167.4 | -60.7 | -174.6 | 152.2 | 0 | 0 | 116.5 | I269 | E267-I269 HydrophobicContact CB-CD1 4.39Å; E267-I269 HydrophobicContact CB-CG1 4.28Å; E267-I269 PolarHBondContact O-N 3.01Å | ||
| 268 | E | 27.9 | Very low | 39.5 | Very low | 205 Ų | 205 | 134.3 Ų | 134.3 | 96% | 0.958 | 73% | 0.732 | S | S | * | * | trans | -67.7 | 117.6 | 141.9 | -72.8 | -177.3 | 131.7 | 0 | 0 | 107.9 | ||||
| 269 | I | 38.3 | Very low | 37.4 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 72% | 0.718 | 75% | 0.749 | S | S | * | * | trans | -122.5 | 134.2 | 164.3 | -67.4 | 177.2 | 0 | 0 | 0 | 108.3 | E267 | E267-I269 HydrophobicContact CB-CD1 4.39Å; E267-I269 HydrophobicContact CB-CG1 4.28Å; E267-I269 PolarHBondContact O-N 3.01Å | ||
| 270 | D | 33.4 | Very low | 35.6 | Very low | 155 Ų | 155 | 144.5 Ų | 144.5 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | -31.4 | 159.9 | -171.2 | -149.9 | -0.1 | 0 | 0 | 0 | 120.4 | ||||
| 271 | E | 29.6 | Very low | 33.9 | Very low | 179 Ų | 179 | 149.6 Ų | 149.6 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | -72 | 130.6 | -179.6 | -68.3 | -170.6 | 84 | 0 | 0 | 113.7 | ||||
| 272 | Q | 31.1 | Very low | 32.6 | Very low | 188 Ų | 188 | 156.6 Ų | 156.6 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -154.4 | 128.6 | 143.6 | -125 | -179.5 | 33.7 | 0 | 0 | 114.2 | ||||
| 273 | P | 32 | Very low | 31.9 | Very low | 115 Ų | 115 | 159.4 Ų | 159.4 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 124.3 | 179.3 | 33.3 | -32.5 | 0 | 0 | 0 | 113.1 | ||
| 274 | P | 33.3 | Very low | 31.2 | Very low | 122 Ų | 122 | 157.7 Ų | 157.7 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 134.9 | 175.6 | 31 | -33.4 | 0 | 0 | 0 | 112.7 | ||
| 275 | P | 33.2 | Very low | 31 | Very low | 130 Ų | 130 | 155.7 Ų | 155.7 | 84% | 0.844 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 156.8 | -179.9 | 33.2 | -35.8 | 0 | 0 | 0 | 113.5 | ||
| 276 | A | 31.7 | Very low | 30.8 | Very low | 91 Ų | 91 | 158.6 Ų | 158.6 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 140.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 277 | K | 33.6 | Very low | 30.9 | Very low | 195 Ų | 195 | 162.8 Ų | 162.8 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | 175.2 | 137.5 | 130.5 | -94.5 | 148.6 | -168.6 | 168.2 | 0 | 113.8 | ||||
| 278 | R | 28.9 | Very low | 30.7 | Very low | 241 Ų | 241 | 164.5 Ų | 164.5 | 91% | 0.909 | 82% | 0.821 | S | S | * | * | trans | 48.8 | 130.3 | 147.2 | -60.2 | 175 | 172.4 | 179.9 | -3.9 | 117.9 | ||||
| 279 | S | 31.2 | Very low | 30.8 | Very low | 124 Ų | 124 | 159.1 Ų | 159.1 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | -163.6 | -169.6 | 58.1 | -161.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 280 | R | 29.7 | Very low | 30.3 | Very low | 232 Ų | 232 | 157.5 Ų | 157.5 | 88% | 0.875 | 81% | 0.806 | S | S | * | * | trans | -94.6 | 147.7 | -172.2 | -57 | 164.4 | 171.1 | 161.7 | -6.4 | 113.6 | ||||
| 281 | Q | 32.3 | Very low | 30.1 | Very low | 196 Ų | 196 | 156.3 Ų | 156.3 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | -147.9 | -178.5 | 127.8 | -157.7 | 125 | -21.5 | 0 | 0 | 110.4 | |||||
| 282 | R | 27 | Very low | 30.1 | Very low | 195 Ų | 195 | 154.8 Ų | 154.8 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -142.1 | 137.3 | -162.6 | -155.9 | 179.2 | -175 | -166.2 | 4.9 | 105.4 | ||||
| 283 | F | 31.5 | Very low | 30.1 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 73% | 0.728 | 79% | 0.792 | S | S | * | * | -178 | 170.3 | 80.1 | -94.9 | -80.5 | 0 | 0 | 0 | 111.5 | |||||
| 284 | S | 25.8 | Very low | 29.9 | Very low | 105 Ų | 105 | 155.6 Ų | 155.6 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | trans | 11.2 | 143.2 | 144.9 | -102.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 285 | S | 26.2 | Very low | 29.9 | Very low | 100 Ų | 100 | 155.5 Ų | 155.5 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | cis | 180 | 167.1 | -5.8 | 36.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 286 | K | 27.9 | Very low | 29.8 | Very low | 186 Ų | 186 | 154.6 Ų | 154.6 | 81% | 0.809 | 79% | 0.789 | S | S | * | * | trans | 71.6 | 86 | 150.3 | -163.9 | -165.7 | -177.1 | -168 | 0 | 116.8 | ||||
| 287 | E | 31 | Very low | 30.2 | Very low | 187 Ų | 187 | 154.9 Ų | 154.9 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | -158.2 | 160 | 105.1 | -111.1 | 166.5 | -156.5 | 0 | 0 | 110.8 | |||||
| 288 | K | 28.3 | Very low | 31 | Very low | 203 Ų | 203 | 150.6 Ų | 150.6 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -141.2 | 68 | -174 | -162.3 | 179.8 | -175.8 | -175.8 | 0 | 110.5 | S290 | K288-S290 PolarHBondContact O-N 3.02Š| ||
| 289 | S | 31.6 | Very low | 32.3 | Very low | 91 Ų | 91 | 145.6 Ų | 145.6 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | -56.3 | 130.1 | 165.8 | -176.5 | 0 | 0 | 0 | 0 | 109 | D291 | S289-D291 VanDerWaalsContact C-N 3.33Å; S289-D291 WeakPolarHBondContact CB-OD2 3.46Å; S289-D291 PolarHBondContact O-N 2.94Å; S289-D291 PolarHBondContact OG-OD2 2.91Å | ||
| 290 | S | 26.8 | Very low | 33.9 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | -93.1 | 68.1 | 175 | 58.5 | 0 | 0 | 0 | 0 | 109.5 | K288 I292 | K288-S290 PolarHBondContact O-N 3.02Å; S290-I292 VanDerWaalsContact C-N 3.35Å; S290-I292 PolarHBondContact O-N 3.36Å | ||
| 291 | D | 29.4 | Very low | 36.1 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | trans | -67.9 | 96.2 | 171.7 | -73 | -64.5 | 0 | 0 | 0 | 109.3 | S289 I293 | S289-D291 VanDerWaalsContact C-N 3.33Å; S289-D291 WeakPolarHBondContact CB-OD2 3.46Å; S289-D291 PolarHBondContact O-N 2.94Å; S289-D291 PolarHBondContact OG-OD2 2.91Å; D291-I293 VanDerWaalsContact C-N 3.3Å; D291-I293 PolarHBondContact O-N 2.79Å | ||
| 292 | I | 30.6 | Very low | 38.2 | Very low | 148 Ų | 148 | 125.2 Ų | 125.2 | 76% | 0.759 | 68% | 0.683 | S | S | * | * | trans | -68.7 | 93.8 | 171.3 | -61.5 | 173.9 | 0 | 0 | 0 | 106.5 | S290 Q294 | S290-I292 VanDerWaalsContact C-N 3.35Å; S290-I292 PolarHBondContact O-N 3.36Å; I292-Q294 VanDerWaalsContact C-N 3.26Å; I292-Q294 PolarHBondContact O-N 3.48Å | ||
| 293 | I | 29.8 | Very low | 40.9 | Very low | 154 Ų | 154 | 116.2 Ų | 116.2 | 79% | 0.79 | 65% | 0.649 | S | S | * | * | trans | -61.6 | 96.3 | 163.7 | -59.7 | 176.9 | 0 | 0 | 0 | 106.5 | D291 | D291-I293 VanDerWaalsContact C-N 3.3Å; D291-I293 PolarHBondContact O-N 2.79Å | ||
| 294 | Q | 28.4 | Very low | 43.6 | Very low | 166 Ų | 166 | 109.4 Ų | 109.4 | 78% | 0.776 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 126.3 | 166.8 | -75 | -176.7 | -48.1 | 0 | 0 | 107.4 | I292 S296 | I292-Q294 VanDerWaalsContact C-N 3.26Å; I292-Q294 PolarHBondContact O-N 3.48Å; Q294-S296 PolarHBondContact O-N 2.97Å |
| 295 | P | 32.3 | Very low | 46.5 | Very low | 120 Ų | 120 | 104.4 Ų | 104.4 | 78% | 0.779 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 116.7 | 169.7 | 25.4 | -31.2 | 0 | 0 | 0 | 107.2 | A297 | P295-A297 PolarHBondContact O-N 2.98Å; P295-A297 VanDerWaalsContact O-N 3.12Å |
| 296 | S | 32.3 | Very low | 49.5 | Very low | 110 Ų | 110 | 99.7 Ų | 99.7 | 77% | 0.769 | 55% | 0.552 | S | S | * | * | P | Polyproline II helix | trans | -54 | 120.6 | 175.9 | 52 | 0 | 0 | 0 | 0 | 108.8 | Q294 S298 | Q294-S296 PolarHBondContact O-N 2.97Å; S296-S298 PolarHBondContact O-N 3.5Å |
| 297 | A | 38.7 | Very low | 52.4 | Low | 98 Ų | 98 | 90.9 Ų | 90.9 | 81% | 0.81 | 51% | 0.513 | S | S | * | . | trans | -55.6 | 106.6 | -168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | P295 Q299 | P295-A297 PolarHBondContact O-N 2.98Å; P295-A297 VanDerWaalsContact O-N 3.12Å; A297-Q299 PolarHBondContact O-N 3.33Å | ||
| 298 | S | 50.8 | Low | 55.3 | Low | 104 Ų | 104 | 82 Ų | 82 | 73% | 0.727 | 47% | 0.472 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 119 | -177.4 | 42.4 | 0 | 0 | 0 | 0 | 109.3 | S296 | S296-S298 PolarHBondContact O-N 3.5Š|
| 299 | Q | 57.7 | Low | 58.2 | Low | 136 Ų | 136 | 73 Ų | 73 | 64% | 0.636 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 129.1 | -178.5 | -66.9 | -165.3 | 10.3 | 0 | 0 | 109.5 | A297 I301 | A297-Q299 PolarHBondContact O-N 3.33Å; Q299-I301 PolarHBondContact O-N 3.49Å |
| 300 | P | 64.6 | Low | 60.7 | Low | 36 Ų | 36 | 71 Ų | 71 | 23% | 0.234 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 120.7 | -166.1 | 28.3 | -35.9 | 0 | 0 | 0 | 111.4 | G752 S754 | P300-G752 CarbonylContact C-O 3.58Å; P300-G752 WeakPolarHBondContact CA-O 3.26Å; P300-S754 WeakPolarHBondContact O-CB 3.47Å |
| 301 | I | 74.4 | Confident | 63.6 | Low | 37 Ų | 37 | 66.8 Ų | 66.8 | 19% | 0.19 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 128.1 | -162.4 | -59 | 154.4 | 0 | 0 | 0 | 110.5 | I256 I260 Q299 Y303 G752 L753 S754 | I256-I301 HydrophobicContact CG2-CG2 4.01Å; I260-I301 HydrophobicContact CD1-CD1 3.88Å; I260-I301 HydrophobicContact CG1-CD1 3.7Å; I260-I301 HydrophobicContact CG1-CG1 4.2Å; Q299-I301 PolarHBondContact O-N 3.49Å; I301-Y303 PolarHBondContact O-N 3.01Å; I301-G752 PolarHBondContact N-O 2.7Å; I301-L753 HydrophobicContact CB-CD2 4.03Å; I301-L753 HydrophobicContact CG2-CD2 4.25Å; I301-L753 CarbonylContact O-C 3.33Å; I301-L753 WeakPolarHBondContact O-CA 3.4Å; I301-S754 PolarHBondContact O-N 3.1Å |
| 302 | P | 77.7 | Confident | 66.6 | Low | 51 Ų | 51 | 66.9 Ų | 66.9 | 33% | 0.331 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 131.7 | -176.4 | 25.4 | -35.8 | 0 | 0 | 0 | 113.8 | T259 I756 | T259-P302 HydrophobicContact CG2-CG 3.74Å; P302-I756 HydrophobicContact CB-CD1 3.3Å; P302-I756 HydrophobicContact CB-CG1 4.47Å |
| 303 | Y | 84 | Confident | 69.6 | Low | 7 Ų | 7 | 61.5 Ų | 61.5 | 3% | 0.027 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 133.2 | -177.1 | 168.2 | -100.8 | 0 | 0 | 0 | 111.8 | M252 I256 I301 P305 L505 I506 P507 S754 V755 I756 | M252-Y303 HydrophobicContact CE-CD2 3.4Å; M252-Y303 HydrophobicContact CE-CE2 3.21Å; M252-Y303 HydrophobicContact CE-CG 4.38Å; M252-Y303 HydrophobicContact SD-CD2 4.06Å; M252-Y303 HydrophobicContact SD-CE2 3.49Å; M252-Y303 WeakPolarHBondContact SD-CE2 3.36Å; I256-Y303 HydrophobicContact CD1-CD2 4.2Å; I301-Y303 PolarHBondContact O-N 3.01Å; Y303-P305 HydrophobicContact CD1-CG 4.36Å; Y303-P305 HydrophobicContact CE1-CB 4.45Å; Y303-P305 HydrophobicContact CE1-CG 3.68Å; Y303-L505 VanDerWaalsContact OH-C 3.25Å; Y303-L505 PolarHBondContact OH-O 3.15Å; Y303-I506 WeakPolarHBondContact OH-CA 3.16Å; Y303-I506 PolarHBondContact OH-N 3.45Å; Y303-I506 PolarHBondContact OH-O 3.04Å; Y303-P507 HydrophobicContact CD2-CB 4.16Å; Y303-P507 HydrophobicContact CD2-CG 3.83Å; Y303-P507 HydrophobicContact CE1-CG 4.49Å; Y303-P507 HydrophobicContact CE2-CB 3.7Å; Y303-P507 HydrophobicContact CE2-CG 3.51Å; Y303-P507 HydrophobicContact CG-CG 4.47Å; Y303-S754 PolarHBondContact N-O 3.03Å; Y303-V755 HydrophobicContact CD1-CG1 4.34Å; Y303-V755 HydrophobicContact CD1-CG2 4.31Å; Y303-V755 CarbonylContact O-C 3.59Å; Y303-V755 WeakPolarHBondContact O-CA 3.42Å; Y303-I756 PolarHBondContact O-N 3.03Å |
| 304 | I | 86.2 | Confident | 72.5 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | trans | -122.7 | 108.1 | 176.8 | -55.8 | 163.5 | 0 | 0 | 0 | 109.8 | M252 F308 P310 I756 R758 | M252-I304 WeakPolarHBondContact CE-O 3.27Å; I304-F308 HydrophobicContact CG2-CB 4.43Å; I304-F308 HydrophobicContact CG2-CD2 4.14Å; I304-P310 HydrophobicContact CB-CB 4.28Å; I304-P310 HydrophobicContact CG2-CB 3.85Å; I304-P310 HydrophobicContact CG2-CG 4.37Å; I304-I756 HydrophobicContact CD1-CG2 4.22Å; I304-I756 HydrophobicContact CG1-CB 3.75Å; I304-I756 HydrophobicContact CG1-CG2 3.79Å; I304-R758 HydrophobicContact CD1-CG 4.07Å; I304-R758 HydrophobicContact CG1-CG 4.42Å; I304-R758 HydrophobicContact CG2-CB 3.98Å; I304-R758 HydrophobicContact CG2-CG 3.76Å | ||
| 305 | P | 87.2 | Confident | 75.5 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -43.7 | 138 | 176.7 | -32.4 | 35 | 0 | 0 | 0 | 114.6 | Y303 A307 F308 D504 P678 V755 | Y303-P305 HydrophobicContact CD1-CG 4.36Å; Y303-P305 HydrophobicContact CE1-CB 4.45Å; Y303-P305 HydrophobicContact CE1-CG 3.68Å; P305-A307 HydrophobicContact CB-CB 4.32Å; P305-A307 PolarHBondContact O-N 3.09Å; P305-F308 HydrophobicContact CB-CD1 4.42Å; P305-F308 HydrophobicContact CB-CD2 4.01Å; P305-F308 HydrophobicContact CB-CE1 4.24Å; P305-F308 HydrophobicContact CB-CE2 3.85Å; P305-F308 HydrophobicContact CB-CG 4.26Å; P305-F308 HydrophobicContact CB-CZ 3.91Å; P305-F308 HydrophobicContact CG-CD2 4.02Å; P305-F308 HydrophobicContact CG-CE1 4.47Å; P305-F308 HydrophobicContact CG-CE2 3.46Å; P305-F308 VanDerWaalsContact CG-CE2 3.46Å; P305-F308 HydrophobicContact CG-CZ 3.66Å; P305-F308 PolarHBondContact O-N 3.31Å; P305-D504 CarbonylContact C-O 3.6Å; P305-P678 HydrophobicContact CG-CB 3.97Å; P305-V755 HydrophobicContact CG-CG1 4.06Å | ||
| 306 | L | 89.2 | Confident | 78.5 | Confident | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -62.7 | -25.9 | 173.4 | -68.6 | -160.9 | 0 | 0 | 0 | 111.8 | A248 Y249 M252 F308 M309 P310 D504 | A248-L306 HydrophobicContact CB-CD1 3.58Å; A248-L306 HydrophobicContact CB-CD2 4Å; A248-L306 HydrophobicContact CB-CG 4.46Å; Y249-L306 HydrophobicContact CD1-CD1 3.41Å; Y249-L306 VanDerWaalsContact CD1-CD1 3.41Å; Y249-L306 HydrophobicContact CD1-CG 4.05Å; Y249-L306 HydrophobicContact CD2-CD1 4.05Å; Y249-L306 HydrophobicContact CE1-CD1 3.4Å; Y249-L306 HydrophobicContact CE1-CG 3.94Å; Y249-L306 HydrophobicContact CE2-CD1 4Å; Y249-L306 HydrophobicContact CG-CD1 3.77Å; M252-L306 HydrophobicContact SD-CD2 4.43Å; L306-F308 PolarHBondContact O-N 2.87Å; L306-M309 WeakPolarHBondContact O-CA 3.42Å; L306-M309 PolarHBondContact O-N 3.07Å; L306-P310 HydrophobicContact CD2-CG 3.86Å; L306-D504 HydrophobicContact CB-CB 4.15Å; L306-D504 VanDerWaalsContact CB-OD2 3.29Å; L306-D504 WeakPolarHBondContact CB-OD2 3.42Å; L306-D504 PolarHBondContact N-O 3.45Å |
| 307 | A | 90.3 | Very high | 81.5 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -54.8 | -19.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P305 L501 D504 L505 R760 | P305-A307 HydrophobicContact CB-CB 4.32Å; P305-A307 PolarHBondContact O-N 3.09Å; A307-L501 HydrophobicContact CB-CD2 4.42Å; A307-D504 HydrophobicContact CB-CB 4.07Å; A307-D504 PolarHBondContact N-O 3.26Å; A307-D504 PolarHBondContact N-OD2 3.37Å; A307-L505 HydrophobicContact CB-CD2 3.95Å; A307-L505 HydrophobicContact CB-CG 4.41Å; A307-R760 VanDerWaalsContact O-CD 3.31Å; A307-R760 WeakPolarHBondContact O-CD 3.42Å; A307-R760 PolarHBondContact O-NH1 2.99Å |
| 308 | F | 91 | Very high | 84.1 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -97.1 | 7.1 | 176.9 | -49.4 | -21.4 | 0 | 0 | 0 | 113.6 | I304 P305 L306 P678 Y681 L682 R758 | I304-F308 HydrophobicContact CG2-CB 4.43Å; I304-F308 HydrophobicContact CG2-CD2 4.14Å; P305-F308 HydrophobicContact CB-CD1 4.42Å; P305-F308 HydrophobicContact CB-CD2 4.01Å; P305-F308 HydrophobicContact CB-CE1 4.24Å; P305-F308 HydrophobicContact CB-CE2 3.85Å; P305-F308 HydrophobicContact CB-CG 4.26Å; P305-F308 HydrophobicContact CB-CZ 3.91Å; P305-F308 HydrophobicContact CG-CD2 4.02Å; P305-F308 HydrophobicContact CG-CE1 4.47Å; P305-F308 HydrophobicContact CG-CE2 3.46Å; P305-F308 VanDerWaalsContact CG-CE2 3.46Å; P305-F308 HydrophobicContact CG-CZ 3.66Å; P305-F308 PolarHBondContact O-N 3.31Å; L306-F308 PolarHBondContact O-N 2.87Å; F308-P678 WeakPolarHBondContact CZ-O 3.19Å; F308-Y681 HydrophobicContact CE2-CD2 4.22Å; F308-Y681 HydrophobicContact CZ-CD2 4.04Å; F308-Y681 HydrophobicContact CZ-CG 4.26Å; F308-L682 HydrophobicContact CD1-CD1 4.16Å; F308-L682 HydrophobicContact CE1-CB 4.16Å; F308-L682 HydrophobicContact CE1-CD1 4.26Å; F308-R758 HydrophobicContact CB-CB 4.1Å; F308-R758 HydrophobicContact CD2-CB 4.45Å |
| 309 | M | 89.1 | Confident | 86.1 | Confident | 14 Ų | 14 | 27.6 Ų | 27.6 | 7% | 0.069 | 15% | 0.15 | C | C | . | . | trans | 53.1 | 54.9 | 178.1 | -60.6 | 161.3 | 72.7 | 0 | 0 | 113.8 | L306 N311 S314 V315 A318 R760 P761 | L306-M309 WeakPolarHBondContact O-CA 3.42Å; L306-M309 PolarHBondContact O-N 3.07Å; M309-N311 VanDerWaalsContact C-N 3.28Å; M309-N311 PolarHBondContact O-N 3.24Å; M309-S314 VanDerWaalsContact CA-OG 3.26Å; M309-S314 WeakPolarHBondContact CA-OG 3.39Å; M309-V315 HydrophobicContact CB-CG2 4.18Å; M309-V315 HydrophobicContact CE-CB 4.24Å; M309-V315 HydrophobicContact CE-CG1 4.1Å; M309-V315 HydrophobicContact CE-CG2 4.11Å; M309-A318 HydrophobicContact CE-CB 3.81Å; M309-A318 HydrophobicContact SD-CB 4.28Å; M309-R760 HydrophobicContact SD-CG 4.36Å; M309-R760 PolarHBondContact SD-NE 3.03Å; M309-R760 PolarHBondContact SD-NH2 3.15Å; M309-P761 HydrophobicContact CE-CG 4.3Å | ||
| 310 | P | 83.7 | Confident | 87.9 | Confident | 48 Ų | 48 | 21.1 Ų | 21.1 | 31% | 0.312 | 12% | 0.12 | S | C | . | . | trans | -69.5 | -16.7 | -171.3 | 29.1 | -36.9 | 0 | 0 | 0 | 115.3 | I304 L306 S314 | I304-P310 HydrophobicContact CB-CB 4.28Å; I304-P310 HydrophobicContact CG2-CB 3.85Å; I304-P310 HydrophobicContact CG2-CG 4.37Å; L306-P310 HydrophobicContact CD2-CG 3.86Å; P310-S314 WeakPolarHBondContact CD-OG 3.48Å | ||
| 311 | N | 89.1 | Confident | 89.4 | Confident | 19 Ų | 19 | 19.4 Ų | 19.4 | 10% | 0.102 | 11% | 0.109 | C | C | . | . | S | Bend | trans | -145.8 | 160.7 | -173 | 61 | 41.7 | 0 | 0 | 0 | 112.4 | A248 L251 M309 P313 S314 V315 | A248-N311 PolarHBondContact O-ND2 3.12Å; L251-N311 HydrophobicContact CD2-CB 3.99Å; M309-N311 VanDerWaalsContact C-N 3.28Å; M309-N311 PolarHBondContact O-N 3.24Å; N311-P313 WeakPolarHBondContact OD1-CD 3.42Å; N311-S314 PolarHBondContact N-OG 3.28Å; N311-S314 VanDerWaalsContact N-OG 3.15Å; N311-S314 PolarHBondContact O-N 2.97Å; N311-S314 PolarHBondContact O-OG 2.8Å; N311-S314 WeakPolarHBondContact OD1-CB 3.31Å; N311-S314 PolarHBondContact OD1-N 3.49Å; N311-S314 PolarHBondContact OD1-OG 3.49Å; N311-S314 VanDerWaalsContact OD1-OG 3.09Å; N311-V315 PolarHBondContact O-N 2.86Å; N311-V315 VanDerWaalsContact O-N 3.14Å |
| 312 | Q | 90.5 | Very high | 90.3 | Very high | 132 Ų | 132 | 17.7 Ų | 17.7 | 62% | 0.617 | 10% | 0.1 | S | C | * | . | H | α-helix | trans | -54.6 | -42.1 | -178.4 | -76 | -71.7 | 17.3 | 0 | 0 | 114 | S314 V315 A316 | Q312-S314 VanDerWaalsContact C-N 3.34Å; Q312-S314 PolarHBondContact O-N 3.15Å; Q312-V315 WeakPolarHBondContact O-CB 3.33Å; Q312-V315 PolarHBondContact O-N 2.73Å; Q312-V315 VanDerWaalsContact O-N 3.1Å; Q312-A316 WeakPolarHBondContact O-CB 3.41Å; Q312-A316 PolarHBondContact O-N 2.97Å |
| 313 | P | 93.7 | Very high | 91.2 | Very high | 35 Ų | 35 | 15.3 Ų | 15.3 | 23% | 0.227 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.5 | -37.6 | 174.8 | -27.5 | 36.5 | 0 | 0 | 0 | 114.5 | C244 A247 A248 N311 A316 S317 | C244-P313 WeakPolarHBondContact O-CB 3.43Å; A247-P313 HydrophobicContact CB-CB 3.96Å; A247-P313 HydrophobicContact CB-CG 4.18Å; A248-P313 HydrophobicContact CB-CB 3.93Å; N311-P313 WeakPolarHBondContact OD1-CD 3.42Å; P313-A316 PolarHBondContact O-N 3.07Å; P313-S317 PolarHBondContact O-N 3.05Å |
| 314 | S | 92.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.021 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -69 | -31.8 | 174.2 | 64 | 0 | 0 | 0 | 0 | 113.2 | M309 P310 N311 Q312 A318 | M309-S314 VanDerWaalsContact CA-OG 3.26Å; M309-S314 WeakPolarHBondContact CA-OG 3.39Å; P310-S314 WeakPolarHBondContact CD-OG 3.48Å; N311-S314 PolarHBondContact N-OG 3.28Å; N311-S314 VanDerWaalsContact N-OG 3.15Å; N311-S314 PolarHBondContact O-N 2.97Å; N311-S314 PolarHBondContact O-OG 2.8Å; N311-S314 WeakPolarHBondContact OD1-CB 3.31Å; N311-S314 PolarHBondContact OD1-N 3.49Å; N311-S314 PolarHBondContact OD1-OG 3.49Å; N311-S314 VanDerWaalsContact OD1-OG 3.09Å; Q312-S314 VanDerWaalsContact C-N 3.34Å; Q312-S314 PolarHBondContact O-N 3.15Å; S314-A318 PolarHBondContact O-N 3.4Å |
| 315 | V | 91.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 14.1 Ų | 14.1 | 10% | 0.097 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 169.9 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | M309 N311 Q312 S317 A318 T319 | M309-V315 HydrophobicContact CB-CG2 4.18Å; M309-V315 HydrophobicContact CE-CB 4.24Å; M309-V315 HydrophobicContact CE-CG1 4.1Å; M309-V315 HydrophobicContact CE-CG2 4.11Å; N311-V315 PolarHBondContact O-N 2.86Å; N311-V315 VanDerWaalsContact O-N 3.14Å; Q312-V315 WeakPolarHBondContact O-CB 3.33Å; Q312-V315 PolarHBondContact O-N 2.73Å; Q312-V315 VanDerWaalsContact O-N 3.1Å; V315-S317 PolarHBondContact O-N 2.65Å; V315-A318 PolarHBondContact O-N 2.77Å; V315-T319 HydrophobicContact CG1-CG2 4.41Å; V315-T319 WeakPolarHBondContact O-CG2 3.49Å; V315-T319 PolarHBondContact O-N 2.75Å; V315-T319 PolarHBondContact O-OG1 2.85Å |
| 316 | A | 94.2 | Very high | 92.5 | Very high | 12 Ų | 12 | 14.2 Ų | 14.2 | 10% | 0.099 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -58.1 | -45.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | C244 Q312 P313 A318 T319 L320 | C244-A316 HydrophobicContact CB-CB 4.19Å; Q312-A316 WeakPolarHBondContact O-CB 3.41Å; Q312-A316 PolarHBondContact O-N 2.97Å; P313-A316 PolarHBondContact O-N 3.07Å; A316-A318 PolarHBondContact O-N 2.65Å; A316-T319 WeakPolarHBondContact CA-OG1 3.27Å; A316-T319 PolarHBondContact O-N 3.41Å; A316-T319 PolarHBondContact O-OG1 3.07Å; A316-L320 WeakPolarHBondContact O-CG 3.41Å; A316-L320 PolarHBondContact O-N 2.81Å |
| 317 | S | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -54.2 | -53 | 172 | 159.6 | 0 | 0 | 0 | 0 | 111.8 | E245 P313 V315 T319 L320 C321 R458 | E245-S317 WeakPolarHBondContact CG-OG 3.47Å; E245-S317 PolarHBondContact OE1-OG 3.19Å; P313-S317 PolarHBondContact O-N 3.05Å; V315-S317 PolarHBondContact O-N 2.65Å; S317-T319 VanDerWaalsContact C-N 3.3Å; S317-T319 PolarHBondContact O-N 2.73Å; S317-L320 PolarHBondContact O-N 2.7Å; S317-C321 PolarHBondContact O-N 3.11Å; S317-C321 PolarHBondContact O-SG 3.33Å; S317-R458 PolarHBondContact OG-NE 3.35Å; S317-R458 PolarHBondContact OG-NH2 3.08Å |
| 318 | A | 93.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 14.1 Ų | 14.1 | 4% | 0.041 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.7 | -35.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M309 S314 V315 A316 C321 T322 | M309-A318 HydrophobicContact CE-CB 3.81Å; M309-A318 HydrophobicContact SD-CB 4.28Å; S314-A318 PolarHBondContact O-N 3.4Å; V315-A318 PolarHBondContact O-N 2.77Å; A316-A318 PolarHBondContact O-N 2.65Å; A318-C321 WeakPolarHBondContact O-CB 3.28Å; A318-C321 PolarHBondContact O-N 3.22Å; A318-T322 PolarHBondContact O-N 2.95Å; A318-T322 PolarHBondContact O-OG1 3.41Å |
| 319 | T | 93.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 14.3 Ų | 14.3 | 2% | 0.018 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -70.5 | -32.9 | 173.5 | 59.9 | 0 | 0 | 0 | 0 | 113 | F173 Q174 W177 V315 A316 S317 T322 L323 | F173-T319 WeakPolarHBondContact CE1-O 3.31Å; Q174-T319 WeakPolarHBondContact CG-OG1 3.42Å; W177-T319 HydrophobicContact CB-CG2 4.14Å; W177-T319 HydrophobicContact CD2-CG2 3.77Å; W177-T319 HydrophobicContact CE3-CG2 4.35Å; W177-T319 HydrophobicContact CG-CG2 3.62Å; V315-T319 HydrophobicContact CG1-CG2 4.41Å; V315-T319 WeakPolarHBondContact O-CG2 3.49Å; V315-T319 PolarHBondContact O-N 2.75Å; V315-T319 PolarHBondContact O-OG1 2.85Å; A316-T319 WeakPolarHBondContact CA-OG1 3.27Å; A316-T319 PolarHBondContact O-N 3.41Å; A316-T319 PolarHBondContact O-OG1 3.07Å; S317-T319 VanDerWaalsContact C-N 3.3Å; S317-T319 PolarHBondContact O-N 2.73Å; T319-T322 WeakPolarHBondContact O-CB 3.15Å; T319-T322 PolarHBondContact O-N 2.85Å; T319-L323 WeakPolarHBondContact O-CB 3.45Å; T319-L323 PolarHBondContact O-N 3.14Å |
| 320 | L | 95.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -69.5 | -36.7 | 173.8 | -72.2 | 165.6 | 0 | 0 | 0 | 111.7 | I170 L237 Q240 C241 A316 S317 L323 R324 M455 | I170-L320 HydrophobicContact CD1-CD2 4.44Å; I170-L320 HydrophobicContact CG2-CD2 3.76Å; L237-L320 HydrophobicContact CD2-CD2 3.79Å; Q240-L320 HydrophobicContact CB-CD1 3.84Å; C241-L320 HydrophobicContact CB-CB 4.17Å; C241-L320 HydrophobicContact CB-CD1 4.22Å; A316-L320 WeakPolarHBondContact O-CG 3.41Å; A316-L320 PolarHBondContact O-N 2.81Å; S317-L320 PolarHBondContact O-N 2.7Å; L320-L323 PolarHBondContact O-N 3.2Å; L320-R324 PolarHBondContact O-N 3.43Å; L320-M455 HydrophobicContact CB-CE 4.39Å |
| 321 | C | 95.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 168.9 | -64.9 | 0 | 0 | 0 | 0 | 111.9 | C241 S317 A318 L323 R324 F325 M455 R458 | C241-C321 VanDerWaalsContact SG-SG 3.69Å; S317-C321 PolarHBondContact O-N 3.11Å; S317-C321 PolarHBondContact O-SG 3.33Å; A318-C321 WeakPolarHBondContact O-CB 3.28Å; A318-C321 PolarHBondContact O-N 3.22Å; C321-L323 VanDerWaalsContact C-N 3.3Å; C321-L323 PolarHBondContact O-N 2.93Å; C321-R324 PolarHBondContact O-N 2.67Å; C321-F325 PolarHBondContact O-N 2.65Å; C321-F325 VanDerWaalsContact O-N 3.12Å; C321-M455 HydrophobicContact CB-CB 4.42Å; C321-M455 VanDerWaalsContact CB-O 3.29Å; C321-M455 WeakPolarHBondContact CB-O 3.13Å; C321-R458 HydrophobicContact CB-CB 4.19Å; C321-R458 HydrophobicContact CB-CG 4.34Å; C321-R458 VanDerWaalsContact SG-CD 3.53Å |
| 322 | T | 94.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -55.4 | -46.4 | 173.1 | -49.4 | 0 | 0 | 0 | 0 | 110.7 | F173 W177 R209 A318 T319 F325 D326 D459 | F173-T322 HydrophobicContact CZ-CG2 4.47Å; W177-T322 HydrophobicContact CH2-CG2 4.32Å; W177-T322 HydrophobicContact CZ3-CG2 3.86Å; R209-T322 VanDerWaalsContact NH1-CG2 3.28Å; A318-T322 PolarHBondContact O-N 2.95Å; A318-T322 PolarHBondContact O-OG1 3.41Å; T319-T322 WeakPolarHBondContact O-CB 3.15Å; T319-T322 PolarHBondContact O-N 2.85Å; T322-F325 WeakPolarHBondContact O-CB 3.27Å; T322-F325 PolarHBondContact O-N 2.76Å; T322-D326 WeakPolarHBondContact O-CB 3.33Å; T322-D326 PolarHBondContact O-N 2.7Å; T322-D459 WeakPolarHBondContact CA-OD2 3.24Å; T322-D459 WeakPolarHBondContact CG2-OD2 3.5Å; T322-D459 PolarHBondContact OG1-OD2 2.9Å |
| 323 | L | 95.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.6 | -37.3 | -177.4 | -172.1 | 58 | 0 | 0 | 0 | 112.5 | I170 F173 I216 I219 L237 T319 L320 C321 L327 | I170-L323 HydrophobicContact CG1-CD2 4.07Å; F173-L323 HydrophobicContact CD1-CB 4.25Å; F173-L323 HydrophobicContact CD1-CD1 4.28Å; F173-L323 HydrophobicContact CD1-CD2 4.1Å; F173-L323 HydrophobicContact CD1-CG 4.45Å; F173-L323 HydrophobicContact CE1-CB 3.92Å; F173-L323 HydrophobicContact CE1-CD1 4.26Å; F173-L323 HydrophobicContact CE1-CG 4.49Å; F173-L323 HydrophobicContact CE2-CD1 4.49Å; F173-L323 HydrophobicContact CG-CD1 4.4Å; F173-L323 HydrophobicContact CZ-CD1 4.36Å; I216-L323 HydrophobicContact CG1-CD1 3.86Å; I219-L323 HydrophobicContact CD1-CD1 4.06Å; I219-L323 HydrophobicContact CD1-CD2 3.99Å; I219-L323 HydrophobicContact CD1-CG 4.38Å; L237-L323 HydrophobicContact CD2-CD2 3.81Å; L237-L323 HydrophobicContact CD2-CG 4.26Å; T319-L323 WeakPolarHBondContact O-CB 3.45Å; T319-L323 PolarHBondContact O-N 3.14Å; L320-L323 PolarHBondContact O-N 3.2Å; C321-L323 VanDerWaalsContact C-N 3.3Å; C321-L323 PolarHBondContact O-N 2.93Å; L323-L327 WeakPolarHBondContact O-CB 3.5Å; L323-L327 PolarHBondContact O-N 3.39Å |
| 324 | R | 96 | Very high | 94.5 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.008 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.5 | -42 | 172.8 | 174.3 | 62.2 | 178.5 | 116.8 | -5.9 | 111.8 | Y230 L320 C321 D343 D452 M455 | Y230-R324 PolarHBondContact OH-NH1 2.97Å; Y230-R324 VanDerWaalsContact OH-NH1 3.11Å; L320-R324 PolarHBondContact O-N 3.43Å; C321-R324 PolarHBondContact O-N 2.67Å; R324-D343 IonicContact CZ-OD2 3.37Å; R324-D343 VanDerWaalsContact CZ-OD2 3.29Å; R324-D343 IonicContact NH1-OD2 2.86Å; R324-D343 PolarHBondContact NH1-OD2 3.15Å; R324-D343 IonicContact NH2-OD1 2.73Å; R324-D343 PolarHBondContact NH2-OD1 3.43Å; R324-D343 IonicContact NH2-OD2 3.27Å; R324-D343 PolarHBondContact NH2-OD2 3.47Å; R324-D452 IonicContact CZ-OD2 2.83Å; R324-D452 IonicContact NE-OD1 2.67Å; R324-D452 PolarHBondContact NE-OD1 2.93Å; R324-D452 IonicContact NE-OD2 2.75Å; R324-D452 IonicContact NH2-OD1 3.61Å; R324-D452 IonicContact NH2-OD2 3.16Å; R324-D452 PolarHBondContact NH2-OD2 3.44Å; R324-M455 HydrophobicContact CB-CE 3.79Å; R324-M455 HydrophobicContact CG-CB 4.3Å; R324-M455 HydrophobicContact CG-CE 4.29Å; R324-M455 HydrophobicContact CG-SD 4.4Å |
| 325 | F | 95.6 | Very high | 94.5 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 1% | 0.013 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.5 | -54.5 | 176.5 | -170 | -72.2 | 0 | 0 | 0 | 111 | C321 T322 L327 L328 M329 V349 L352 D353 A456 V462 | C321-F325 PolarHBondContact O-N 2.65Å; C321-F325 VanDerWaalsContact O-N 3.12Å; T322-F325 WeakPolarHBondContact O-CB 3.27Å; T322-F325 PolarHBondContact O-N 2.76Å; F325-L327 PolarHBondContact O-N 2.86Å; F325-L328 PolarHBondContact O-N 2.93Å; F325-M329 HydrophobicContact CD1-CG 4.25Å; F325-M329 HydrophobicContact CE1-CG 4Å; F325-M329 PolarHBondContact O-N 3.39Å; F325-V349 HydrophobicContact CD1-CG1 4.13Å; F325-V349 HydrophobicContact CD2-CG1 3.82Å; F325-V349 HydrophobicContact CE1-CG1 4.05Å; F325-V349 HydrophobicContact CE2-CG1 3.75Å; F325-V349 HydrophobicContact CG-CG1 4Å; F325-V349 HydrophobicContact CZ-CG1 3.86Å; F325-L352 HydrophobicContact CE2-CB 3.78Å; F325-L352 HydrophobicContact CE2-CD1 4.1Å; F325-L352 HydrophobicContact CZ-CB 3.98Å; F325-D353 HydrophobicContact CE1-CB 4.05Å; F325-D353 HydrophobicContact CZ-CB 4.02Å; F325-A456 HydrophobicContact CD2-CB 4.46Å; F325-V462 HydrophobicContact CD2-CG2 4.05Å; F325-V462 HydrophobicContact CE2-CG2 3.55Å; F325-V462 HydrophobicContact CZ-CG2 4.18Å |
| 326 | D | 94.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -70.8 | -29.7 | -175.1 | -92.7 | -21.3 | 0 | 0 | 0 | 113.1 | R209 R210 I216 T322 S330 | R209-D326 WeakPolarHBondContact CD-OD2 3.36Å; R209-D326 IonicContact CZ-OD2 3.2Å; R209-D326 IonicContact NE-OD2 3.45Å; R209-D326 IonicContact NH1-OD2 2.76Å; R209-D326 PolarHBondContact NH1-OD2 2.83Å; R210-D326 VanDerWaalsContact CD-O 3.26Å; R210-D326 WeakPolarHBondContact CD-O 3.28Å; R210-D326 VanDerWaalsContact CD-OD1 3.23Å; R210-D326 WeakPolarHBondContact CD-OD1 3.5Å; R210-D326 HydrophobicContact CG-CB 3.77Å; R210-D326 VanDerWaalsContact CG-CG 3.47Å; R210-D326 VanDerWaalsContact CG-OD1 3.25Å; R210-D326 WeakPolarHBondContact CG-OD1 3.44Å; R210-D326 IonicContact CZ-OD1 3.66Å; R210-D326 IonicContact NE-OD1 2.62Å; R210-D326 IonicContact NH1-OD1 3.76Å; R210-D326 PolarHBondContact NH1-OD1 2.82Å; I216-D326 HydrophobicContact CD1-CB 4.01Å; T322-D326 WeakPolarHBondContact O-CB 3.33Å; T322-D326 PolarHBondContact O-N 2.7Å; D326-S330 VanDerWaalsContact O-CB 3.23Å; D326-S330 WeakPolarHBondContact O-CB 3.34Å; D326-S330 PolarHBondContact O-N 3.3Å; D326-S330 PolarHBondContact O-OG 2.97Å |
| 327 | L | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.3 | -49.9 | 172.3 | 174.3 | 58.1 | 0 | 0 | 0 | 111.2 | I219 V220 I223 Y230 T233 I234 L237 L323 F325 M329 S330 L331 | I219-L327 HydrophobicContact CG2-CD1 3.74Å; I219-L327 HydrophobicContact CG2-CD2 4.08Å; V220-L327 HydrophobicContact CG2-CD1 3.93Å; I223-L327 HydrophobicContact CD1-CD1 4.11Å; I223-L327 HydrophobicContact CD1-CD2 4.27Å; Y230-L327 HydrophobicContact CE2-CD2 4.39Å; T233-L327 HydrophobicContact CG2-CD2 3.82Å; I234-L327 HydrophobicContact CD1-CD2 3.89Å; L237-L327 HydrophobicContact CD1-CD2 4.07Å; L323-L327 WeakPolarHBondContact O-CB 3.5Å; L323-L327 PolarHBondContact O-N 3.39Å; F325-L327 PolarHBondContact O-N 2.86Å; L327-M329 VanDerWaalsContact C-N 3.33Å; L327-M329 PolarHBondContact O-N 3.28Å; L327-S330 PolarHBondContact O-N 3.36Å; L327-S330 VanDerWaalsContact O-N 3.12Å; L327-L331 HydrophobicContact CD1-CD1 4.31Å; L327-L331 HydrophobicContact CD1-CG 4.29Å; L327-L331 HydrophobicContact CG-CD1 4.45Å; L327-L331 WeakPolarHBondContact O-CG 3.33Å; L327-L331 PolarHBondContact O-N 2.88Å |
| 328 | L | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.2 | -38.8 | -178.1 | -177.7 | 54.1 | 0 | 0 | 0 | 111.8 | F325 N332 C340 D343 I345 V349 | F325-L328 PolarHBondContact O-N 2.93Å; L328-N332 PolarHBondContact O-N 3.41Å; L328-C340 HydrophobicContact CD1-CB 3.76Å; L328-D343 HydrophobicContact CD1-CB 3.81Å; L328-D343 HydrophobicContact CD2-CB 4.38Å; L328-I345 HydrophobicContact CD2-CD1 4.29Å; L328-I345 HydrophobicContact CD2-CG1 3.83Å; L328-V349 HydrophobicContact CD2-CB 4.15Å; L328-V349 HydrophobicContact CD2-CG1 4.4Å; L328-V349 HydrophobicContact CD2-CG2 4.11Å |
| 329 | M | 95.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.02 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -74.6 | -26.1 | 174 | -64.7 | -63.2 | 93.7 | 0 | 0 | 113.3 | R210 F325 L327 N332 E333 V349 W350 D353 | R210-M329 VanDerWaalsContact CZ-CB 3.48Å; F325-M329 HydrophobicContact CD1-CG 4.25Å; F325-M329 HydrophobicContact CE1-CG 4Å; F325-M329 PolarHBondContact O-N 3.39Å; L327-M329 VanDerWaalsContact C-N 3.33Å; L327-M329 PolarHBondContact O-N 3.28Å; M329-N332 HydrophobicContact CE-CB 4.4Å; M329-N332 PolarHBondContact O-N 3.34Å; M329-E333 WeakPolarHBondContact O-CG 3.36Å; M329-E333 PolarHBondContact O-N 3.22Å; M329-V349 HydrophobicContact CE-CB 4.18Å; M329-V349 HydrophobicContact CE-CG1 3.75Å; M329-V349 HydrophobicContact CG-CG1 3.82Å; M329-V349 HydrophobicContact SD-CG1 4.05Å; M329-W350 HydrophobicContact CE-CB 4.16Å; M329-W350 HydrophobicContact SD-CB 4.31Å; M329-D353 HydrophobicContact CG-CB 4.19Å; M329-D353 HydrophobicContact SD-CB 3.88Å |
| 330 | S | 95.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 7% | 0.07 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.7 | -41.2 | 173.7 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | R210 I216 D326 L327 N332 E333 A334 | R210-S330 WeakPolarHBondContact CB-OG 3.35Å; R210-S330 VanDerWaalsContact CD-OG 3.28Å; R210-S330 WeakPolarHBondContact CD-OG 3.33Å; R210-S330 VanDerWaalsContact CG-OG 3.29Å; R210-S330 WeakPolarHBondContact CG-OG 3.05Å; I216-S330 WeakPolarHBondContact CG2-OG 3.08Å; D326-S330 VanDerWaalsContact O-CB 3.23Å; D326-S330 WeakPolarHBondContact O-CB 3.34Å; D326-S330 PolarHBondContact O-N 3.3Å; D326-S330 PolarHBondContact O-OG 2.97Å; L327-S330 PolarHBondContact O-N 3.36Å; L327-S330 VanDerWaalsContact O-N 3.12Å; S330-N332 VanDerWaalsContact C-N 3.26Å; S330-N332 PolarHBondContact O-N 2.85Å; S330-E333 PolarHBondContact O-N 2.7Å; S330-A334 VanDerWaalsContact O-CB 3.24Å; S330-A334 WeakPolarHBondContact O-CB 3.47Å; S330-A334 PolarHBondContact O-N 2.9Å |
| 331 | L | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61 | -38 | 172.2 | -67.5 | 172.7 | 0 | 0 | 0 | 111.4 | V220 Y230 L327 A334 K335 I336 L339 C340 | V220-L331 HydrophobicContact CG1-CD2 4.12Å; V220-L331 HydrophobicContact CG2-CD2 4.21Å; Y230-L331 HydrophobicContact CD2-CD1 3.57Å; Y230-L331 HydrophobicContact CE2-CD1 3.25Å; L327-L331 HydrophobicContact CD1-CD1 4.31Å; L327-L331 HydrophobicContact CD1-CG 4.29Å; L327-L331 HydrophobicContact CG-CD1 4.45Å; L327-L331 WeakPolarHBondContact O-CG 3.33Å; L327-L331 PolarHBondContact O-N 2.88Å; L331-A334 CarbonylContact O-C 3.44Å; L331-A334 PolarHBondContact O-N 2.75Å; L331-K335 PolarHBondContact O-N 2.71Å; L331-K335 VanDerWaalsContact O-N 3.14Å; L331-I336 HydrophobicContact CD2-CB 4.34Å; L331-I336 HydrophobicContact CD2-CD1 3.92Å; L331-I336 PolarHBondContact O-N 3.48Å; L331-L339 HydrophobicContact CD1-CB 4.39Å; L331-L339 HydrophobicContact CD2-CD1 4.46Å; L331-C340 HydrophobicContact CB-CB 4.06Å |
| 332 | N | 94.4 | Very high | 94.2 | Very high | 44 Ų | 44 | 39.2 Ų | 39.2 | 24% | 0.235 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.8 | -44.4 | 174.3 | -169.5 | 102.2 | 0 | 0 | 0 | 112.5 | L328 M329 S330 A334 K335 H346 | L328-N332 PolarHBondContact O-N 3.41Å; M329-N332 HydrophobicContact CE-CB 4.4Å; M329-N332 PolarHBondContact O-N 3.34Å; S330-N332 VanDerWaalsContact C-N 3.26Å; S330-N332 PolarHBondContact O-N 2.85Å; N332-A334 VanDerWaalsContact C-N 3.27Å; N332-A334 PolarHBondContact O-N 3.38Å; N332-K335 PolarHBondContact O-N 3.4Å; N332-K335 VanDerWaalsContact O-N 3.11Å; N332-H346 PolarHBondContact OD1-NE2 3.04Å |
| 333 | E | 92.8 | Very high | 94.1 | Very high | 68 Ų | 68 | 40 Ų | 40 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.9 | -30.7 | 174.1 | -76.6 | -173.5 | -129.2 | 0 | 0 | 112.4 | R210 R211 M329 S330 K335 | R210-E333 IonicContact CZ-OE1 3.59Å; R210-E333 IonicContact NE-OE1 2.72Å; R210-E333 PolarHBondContact NE-OE1 2.66Å; R210-E333 IonicContact NH2-OE1 2.72Å; R210-E333 PolarHBondContact NH2-OE1 3.12Å; R211-E333 IonicContact CZ-OE2 2.63Å; R211-E333 IonicContact NE-OE2 2.7Å; R211-E333 PolarHBondContact NE-OE2 3.24Å; R211-E333 IonicContact NH2-OE2 3.56Å; R211-E333 PolarHBondContact NH2-OE2 3.33Å; M329-E333 WeakPolarHBondContact O-CG 3.36Å; M329-E333 PolarHBondContact O-N 3.22Å; S330-E333 PolarHBondContact O-N 2.7Å; E333-K335 VanDerWaalsContact C-N 3.28Å; E333-K335 PolarHBondContact O-N 2.65Å |
| 334 | A | 91.8 | Very high | 93.9 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 44% | 0.438 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -1.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S330 L331 N332 I336 | S330-A334 VanDerWaalsContact O-CB 3.24Å; S330-A334 WeakPolarHBondContact O-CB 3.47Å; S330-A334 PolarHBondContact O-N 2.9Å; L331-A334 CarbonylContact O-C 3.44Å; L331-A334 PolarHBondContact O-N 2.75Å; N332-A334 VanDerWaalsContact C-N 3.27Å; N332-A334 PolarHBondContact O-N 3.38Å; A334-I336 VanDerWaalsContact C-N 3.27Å; A334-I336 HydrophobicContact CB-CD1 4.08Å; A334-I336 HydrophobicContact CB-CG1 3.94Å; A334-I336 PolarHBondContact O-N 2.88Å |
| 335 | K | 92.8 | Very high | 93.8 | Very high | 172 Ų | 172 | 44.3 Ų | 44.3 | 75% | 0.748 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 32.3 | -177.9 | -52.1 | -178.4 | -179.4 | -179.4 | 0 | 114.3 | L331 N332 E333 D337 | L331-K335 PolarHBondContact O-N 2.71Å; L331-K335 VanDerWaalsContact O-N 3.14Å; N332-K335 PolarHBondContact O-N 3.4Å; N332-K335 VanDerWaalsContact O-N 3.11Å; E333-K335 VanDerWaalsContact C-N 3.28Å; E333-K335 PolarHBondContact O-N 2.65Å; K335-D337 PolarHBondContact O-N 3.14Å |
| 336 | I | 92.5 | Very high | 93.7 | Very high | 29 Ų | 29 | 44.6 Ų | 44.6 | 15% | 0.149 | 22% | 0.222 | C | C | . | . | trans | -85.7 | 58.2 | 175.5 | -48.4 | -178.1 | 0 | 0 | 0 | 108.6 | V220 E225 L331 A334 R338 L339 C340 | V220-I336 HydrophobicContact CG1-CD1 4.26Å; E225-I336 HydrophobicContact CG-CG2 4.33Å; L331-I336 HydrophobicContact CD2-CB 4.34Å; L331-I336 HydrophobicContact CD2-CD1 3.92Å; L331-I336 PolarHBondContact O-N 3.48Å; A334-I336 VanDerWaalsContact C-N 3.27Å; A334-I336 HydrophobicContact CB-CD1 4.08Å; A334-I336 HydrophobicContact CB-CG1 3.94Å; A334-I336 PolarHBondContact O-N 2.88Å; I336-R338 PolarHBondContact O-N 3.43Å; I336-R338 VanDerWaalsContact O-N 3.09Å; I336-L339 HydrophobicContact CG2-CB 4.19Å; I336-L339 HydrophobicContact CG2-CD1 3.91Å; I336-L339 HydrophobicContact CG2-CG 3.84Å; I336-L339 PolarHBondContact O-N 3.28Å; I336-C340 PolarHBondContact O-N 3.22Å; I336-C340 VanDerWaalsContact O-N 3.16Å | ||
| 337 | D | 92 | Very high | 93.7 | Very high | 91 Ų | 91 | 49.9 Ų | 49.9 | 49% | 0.487 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.8 | -31.3 | -171.9 | -65.2 | 0.3 | 0 | 0 | 0 | 112 | K335 L339 V341 P342 | K335-D337 PolarHBondContact O-N 3.14Å; D337-L339 PolarHBondContact O-N 3.04Å; D337-V341 HydrophobicContact CB-CG2 4Å; D337-V341 VanDerWaalsContact O-CB 3.26Å; D337-V341 WeakPolarHBondContact O-CB 3.34Å; D337-V341 WeakPolarHBondContact O-CG2 3.25Å; D337-V341 PolarHBondContact O-N 3.4Å; D337-P342 WeakPolarHBondContact O-CD 3.42Å |
| 338 | R | 93.1 | Very high | 93.7 | Very high | 182 Ų | 182 | 49.9 Ų | 49.9 | 69% | 0.687 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -60 | -24.1 | 176.7 | -164.8 | 179.1 | -173.4 | -173.8 | 2.7 | 114 | I336 P342 | I336-R338 PolarHBondContact O-N 3.43Å; I336-R338 VanDerWaalsContact O-N 3.09Å; R338-P342 WeakPolarHBondContact O-CG 3.24Å |
| 339 | L | 94.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -104.8 | -42.9 | 176.3 | -61.6 | -173.1 | 0 | 0 | 0 | 112.3 | I223 G224 Q227 Y230 L331 I336 D337 | I223-L339 HydrophobicContact CG2-CD1 3.58Å; G224-L339 WeakPolarHBondContact O-CD1 3.48Å; Q227-L339 HydrophobicContact CB-CD2 4.03Å; Q227-L339 VanDerWaalsContact OE1-CD2 3.24Å; Y230-L339 HydrophobicContact CG-CD1 4.48Å; L331-L339 HydrophobicContact CD1-CB 4.39Å; L331-L339 HydrophobicContact CD2-CD1 4.46Å; I336-L339 HydrophobicContact CG2-CB 4.19Å; I336-L339 HydrophobicContact CG2-CD1 3.91Å; I336-L339 HydrophobicContact CG2-CG 3.84Å; I336-L339 PolarHBondContact O-N 3.28Å; D337-L339 PolarHBondContact O-N 3.04Å |
| 340 | C | 93.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -79.5 | -35 | -173.9 | 70.2 | 0 | 0 | 0 | 0 | 113.2 | L328 L331 I336 D343 H346 | L328-C340 HydrophobicContact CD1-CB 3.76Å; L331-C340 HydrophobicContact CB-CB 4.06Å; I336-C340 PolarHBondContact O-N 3.22Å; I336-C340 VanDerWaalsContact O-N 3.16Å; C340-D343 WeakPolarHBondContact O-CB 3.38Å; C340-D343 PolarHBondContact O-N 2.94Å; C340-H346 WeakPolarHBondContact O-CB 3.44Å; C340-H346 PolarHBondContact O-CD2 2.9Å |
| 341 | V | 92.9 | Very high | 93.6 | Very high | 76 Ų | 76 | 55.9 Ų | 55.9 | 46% | 0.461 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -33.4 | -178.2 | -178.2 | 0 | 0 | 0 | 0 | 113.5 | D337 D343 | D337-V341 HydrophobicContact CB-CG2 4Å; D337-V341 VanDerWaalsContact O-CB 3.26Å; D337-V341 WeakPolarHBondContact O-CB 3.34Å; D337-V341 WeakPolarHBondContact O-CG2 3.25Å; D337-V341 PolarHBondContact O-N 3.4Å; V341-D343 VanDerWaalsContact C-N 3.29Å; V341-D343 PolarHBondContact O-N 3.03Å |
| 342 | P | 92.8 | Very high | 93.6 | Very high | 86 Ų | 86 | 56 Ų | 56 | 56% | 0.558 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -16.9 | 169.8 | -24.7 | 36.8 | 0 | 0 | 0 | 115.4 | D337 R338 R344 | D337-P342 WeakPolarHBondContact O-CD 3.42Å; R338-P342 WeakPolarHBondContact O-CG 3.24Å; P342-R344 PolarHBondContact O-N 3.34Å |
| 343 | D | 93.3 | Very high | 93.6 | Very high | 17 Ų | 17 | 54.2 Ų | 54.2 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -64.9 | 123.4 | -179.3 | -173.1 | -42.2 | 0 | 0 | 0 | 110.8 | Y230 R324 L328 C340 V341 I345 H346 | Y230-D343 PolarHBondContact OH-OD2 3.03Å; R324-D343 IonicContact CZ-OD2 3.37Å; R324-D343 VanDerWaalsContact CZ-OD2 3.29Å; R324-D343 IonicContact NH1-OD2 2.86Å; R324-D343 PolarHBondContact NH1-OD2 3.15Å; R324-D343 IonicContact NH2-OD1 2.73Å; R324-D343 PolarHBondContact NH2-OD1 3.43Å; R324-D343 IonicContact NH2-OD2 3.27Å; R324-D343 PolarHBondContact NH2-OD2 3.47Å; L328-D343 HydrophobicContact CD1-CB 3.81Å; L328-D343 HydrophobicContact CD2-CB 4.38Å; C340-D343 WeakPolarHBondContact O-CB 3.38Å; C340-D343 PolarHBondContact O-N 2.94Å; V341-D343 VanDerWaalsContact C-N 3.29Å; V341-D343 PolarHBondContact O-N 3.03Å; D343-I345 PolarHBondContact O-N 3.35Å; D343-I345 VanDerWaalsContact O-N 3.08Å; D343-I345 WeakPolarHBondContact OD1-CG1 3.5Å; D343-I345 PolarHBondContact OD1-N 2.83Å; D343-H346 HydrophobicContact CB-CB 4.26Å; D343-H346 VanDerWaalsContact O-CB 3.25Å; D343-H346 WeakPolarHBondContact O-CB 3.24Å; D343-H346 PolarHBondContact O-N 2.9Å |
| 344 | R | 90.9 | Very high | 93.6 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 35% | 0.347 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | -31.6 | -177.2 | -59.1 | 179.4 | -173.4 | 158.2 | 3.1 | 112.4 | P342 Q376 W380 L449 | P342-R344 PolarHBondContact O-N 3.34Å; R344-Q376 VanDerWaalsContact O-CG 3.28Å; R344-Q376 WeakPolarHBondContact O-CG 3.41Å; R344-Q376 PolarHBondContact O-NE2 3.36Å; R344-W380 VanDerWaalsContact NH2-CZ3 3.3Å; R344-L449 HydrophobicContact CB-CD1 3.89Å |
| 345 | I | 93.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -1.8 | 179.6 | 64.9 | 162.4 | 0 | 0 | 0 | 114.6 | L328 D343 R347 F348 V349 L449 D452 M453 A456 | L328-I345 HydrophobicContact CD2-CD1 4.29Å; L328-I345 HydrophobicContact CD2-CG1 3.83Å; D343-I345 PolarHBondContact O-N 3.35Å; D343-I345 VanDerWaalsContact O-N 3.08Å; D343-I345 WeakPolarHBondContact OD1-CG1 3.5Å; D343-I345 PolarHBondContact OD1-N 2.83Å; I345-R347 PolarHBondContact O-N 3.34Å; I345-F348 WeakPolarHBondContact O-CB 3.49Å; I345-F348 PolarHBondContact O-N 3.35Å; I345-F348 VanDerWaalsContact O-N 3.11Å; I345-V349 HydrophobicContact CB-CG2 4.17Å; I345-V349 HydrophobicContact CD1-CG2 3.63Å; I345-V349 HydrophobicContact CG1-CG2 3.94Å; I345-V349 WeakPolarHBondContact O-CG2 3.49Å; I345-V349 PolarHBondContact O-N 3.15Å; I345-L449 HydrophobicContact CG2-CD1 3.96Å; I345-D452 HydrophobicContact CD1-CB 4.06Å; I345-D452 HydrophobicContact CG2-CB 3.98Å; I345-M453 HydrophobicContact CG2-CG 3.65Å; I345-A456 HydrophobicContact CD1-CB 4.33Å |
| 346 | H | 94.6 | Very high | 93.7 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -47.1 | -59 | -174.5 | 174.9 | -97.6 | 0 | 0 | 0 | 115 | N332 C340 D343 F348 V349 W350 | N332-H346 PolarHBondContact OD1-NE2 3.04Å; C340-H346 WeakPolarHBondContact O-CB 3.44Å; C340-H346 PolarHBondContact O-CD2 2.9Å; D343-H346 HydrophobicContact CB-CB 4.26Å; D343-H346 VanDerWaalsContact O-CB 3.25Å; D343-H346 WeakPolarHBondContact O-CB 3.24Å; D343-H346 PolarHBondContact O-N 2.9Å; H346-F348 VanDerWaalsContact C-N 3.27Å; H346-F348 PolarHBondContact O-N 3.38Å; H346-V349 PolarHBondContact O-N 3.36Å; H346-W350 VanDerWaalsContact O-CB 3.31Å; H346-W350 WeakPolarHBondContact O-CB 3.42Å; H346-W350 PolarHBondContact O-N 3.17Å |
| 347 | R | 94.6 | Very high | 93.4 | Very high | 112 Ų | 112 | 44.6 Ų | 44.6 | 42% | 0.423 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.1 | -32 | -176.4 | -60.9 | -176.8 | -177.1 | -171.8 | -2.6 | 112.7 | I345 C351 | I345-R347 PolarHBondContact O-N 3.34Å; R347-C351 WeakPolarHBondContact O-CB 3.49Å; R347-C351 PolarHBondContact O-N 3.25Å; R347-C351 VanDerWaalsContact O-N 3.09Å |
| 348 | F | 95.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.3 | -47.5 | 175.8 | 174.6 | -101.3 | 0 | 0 | 0 | 111.1 | I345 H346 W350 C351 L352 L369 H372 L373 M453 A456 L496 | I345-F348 WeakPolarHBondContact O-CB 3.49Å; I345-F348 PolarHBondContact O-N 3.35Å; I345-F348 VanDerWaalsContact O-N 3.11Å; H346-F348 VanDerWaalsContact C-N 3.27Å; H346-F348 PolarHBondContact O-N 3.38Å; F348-W350 PolarHBondContact O-N 3.11Å; F348-C351 PolarHBondContact O-N 3.41Å; F348-L352 HydrophobicContact CD1-CD1 4Å; F348-L352 HydrophobicContact CE1-CD1 3.45Å; F348-L352 VanDerWaalsContact CE1-CD1 3.45Å; F348-L352 HydrophobicContact CE1-CG 4.26Å; F348-L352 HydrophobicContact CZ-CD1 3.78Å; F348-L352 HydrophobicContact CZ-CG 4.28Å; F348-L352 WeakPolarHBondContact O-CG 3.43Å; F348-L352 PolarHBondContact O-N 3.18Å; F348-L369 HydrophobicContact CD2-CD2 3.89Å; F348-L369 HydrophobicContact CE2-CD2 3.84Å; F348-H372 HydrophobicContact CB-CB 4.2Å; F348-L373 HydrophobicContact CD2-CB 4.5Å; F348-L373 HydrophobicContact CE2-CB 4.41Å; F348-M453 HydrophobicContact CB-CE 4.1Å; F348-M453 HydrophobicContact CD1-CE 3.37Å; F348-M453 HydrophobicContact CD2-CE 3.71Å; F348-M453 HydrophobicContact CE1-CE 3.56Å; F348-M453 HydrophobicContact CE2-CE 3.9Å; F348-M453 HydrophobicContact CG-CE 3.44Å; F348-M453 VanDerWaalsContact CG-CE 3.44Å; F348-M453 HydrophobicContact CZ-CE 3.83Å; F348-A456 HydrophobicContact CE1-CB 4.28Å; F348-L496 HydrophobicContact CE2-CD2 4Å; F348-L496 HydrophobicContact CZ-CD2 3.79Å |
| 349 | V | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.5 | -38.3 | 175.7 | 176.4 | 0 | 0 | 0 | 0 | 111.6 | F325 L328 M329 I345 H346 L352 D353 A456 | F325-V349 HydrophobicContact CD1-CG1 4.13Å; F325-V349 HydrophobicContact CD2-CG1 3.82Å; F325-V349 HydrophobicContact CE1-CG1 4.05Å; F325-V349 HydrophobicContact CE2-CG1 3.75Å; F325-V349 HydrophobicContact CG-CG1 4Å; F325-V349 HydrophobicContact CZ-CG1 3.86Å; L328-V349 HydrophobicContact CD2-CB 4.15Å; L328-V349 HydrophobicContact CD2-CG1 4.4Å; L328-V349 HydrophobicContact CD2-CG2 4.11Å; M329-V349 HydrophobicContact CE-CB 4.18Å; M329-V349 HydrophobicContact CE-CG1 3.75Å; M329-V349 HydrophobicContact CG-CG1 3.82Å; M329-V349 HydrophobicContact SD-CG1 4.05Å; I345-V349 HydrophobicContact CB-CG2 4.17Å; I345-V349 HydrophobicContact CD1-CG2 3.63Å; I345-V349 HydrophobicContact CG1-CG2 3.94Å; I345-V349 WeakPolarHBondContact O-CG2 3.49Å; I345-V349 PolarHBondContact O-N 3.15Å; H346-V349 PolarHBondContact O-N 3.36Å; V349-L352 CarbonylContact O-C 3.59Å; V349-L352 WeakPolarHBondContact O-CB 3.39Å; V349-L352 PolarHBondContact O-N 2.98Å; V349-D353 WeakPolarHBondContact O-CB 3.38Å; V349-D353 PolarHBondContact O-N 3.06Å; V349-A456 HydrophobicContact CG2-CB 3.96Å |
| 350 | W | 95.1 | Very high | 92.8 | Very high | 134 Ų | 134 | 43.7 Ų | 43.7 | 51% | 0.508 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 175.9 | -177 | 23.5 | 0 | 0 | 0 | 112.1 | M329 H346 F348 D353 A354 | M329-W350 HydrophobicContact CE-CB 4.16Å; M329-W350 HydrophobicContact SD-CB 4.31Å; H346-W350 VanDerWaalsContact O-CB 3.31Å; H346-W350 WeakPolarHBondContact O-CB 3.42Å; H346-W350 PolarHBondContact O-N 3.17Å; F348-W350 PolarHBondContact O-N 3.11Å; W350-D353 PolarHBondContact O-N 2.72Å; W350-A354 PolarHBondContact O-N 3.27Å; W350-A354 VanDerWaalsContact O-N 3.09Å |
| 351 | C | 95.5 | Very high | 92.9 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.5 | -38.4 | 172.8 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | R347 F348 A354 C355 L369 | R347-C351 WeakPolarHBondContact O-CB 3.49Å; R347-C351 PolarHBondContact O-N 3.25Å; R347-C351 VanDerWaalsContact O-N 3.09Å; F348-C351 PolarHBondContact O-N 3.41Å; C351-A354 PolarHBondContact O-N 3.37Å; C351-C355 PolarHBondContact O-N 3.27Å; C351-C355 VanDerWaalsContact O-N 3.09Å; C351-C355 PolarHBondContact O-SG 3.49Å; C351-L369 HydrophobicContact CB-CD2 3.81Å; C351-L369 HydrophobicContact CB-CG 4.41Å |
| 352 | L | 94.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 172 | -74.9 | 178 | 0 | 0 | 0 | 112.2 | F325 F348 V349 A354 C355 V356 L369 A456 V462 | F325-L352 HydrophobicContact CE2-CB 3.78Å; F325-L352 HydrophobicContact CE2-CD1 4.1Å; F325-L352 HydrophobicContact CZ-CB 3.98Å; F348-L352 HydrophobicContact CD1-CD1 4Å; F348-L352 HydrophobicContact CE1-CD1 3.45Å; F348-L352 VanDerWaalsContact CE1-CD1 3.45Å; F348-L352 HydrophobicContact CE1-CG 4.26Å; F348-L352 HydrophobicContact CZ-CD1 3.78Å; F348-L352 HydrophobicContact CZ-CG 4.28Å; F348-L352 WeakPolarHBondContact O-CG 3.43Å; F348-L352 PolarHBondContact O-N 3.18Å; V349-L352 CarbonylContact O-C 3.59Å; V349-L352 WeakPolarHBondContact O-CB 3.39Å; V349-L352 PolarHBondContact O-N 2.98Å; L352-A354 VanDerWaalsContact C-N 3.3Å; L352-A354 PolarHBondContact O-N 3.36Å; L352-C355 WeakPolarHBondContact O-CA 3.22Å; L352-C355 WeakPolarHBondContact O-CB 3.44Å; L352-C355 PolarHBondContact O-N 3.3Å; L352-C355 VanDerWaalsContact O-N 3.08Å; L352-V356 WeakPolarHBondContact O-CB 3.39Å; L352-V356 WeakPolarHBondContact O-CG2 3.31Å; L352-V356 PolarHBondContact O-N 2.94Å; L352-L369 HydrophobicContact CD2-CD1 3.97Å; L352-L369 HydrophobicContact CD2-CD2 3.64Å; L352-L369 HydrophobicContact CD2-CG 4.49Å; L352-L369 HydrophobicContact CG-CD2 3.71Å; L352-A456 HydrophobicContact CD1-CB 4.45Å; L352-V462 HydrophobicContact CD1-CG1 4.19Å; L352-V462 HydrophobicContact CD1-CG2 4.41Å; L352-V462 HydrophobicContact CD2-CG1 4.16Å |
| 353 | D | 94.3 | Very high | 92.8 | Very high | 6 Ų | 6 | 43.1 Ų | 43.1 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.2 | -37.6 | 177.9 | 178.7 | 92.5 | 0 | 0 | 0 | 111.5 | R210 F325 M329 V349 W350 V356 R357 | R210-D353 IonicContact CZ-OD1 2.72Å; R210-D353 VanDerWaalsContact CZ-OD1 3.28Å; R210-D353 IonicContact NH1-OD1 3.25Å; R210-D353 PolarHBondContact NH1-OD1 3.37Å; R210-D353 IonicContact NH2-OD1 2.75Å; R210-D353 PolarHBondContact NH2-OD1 2.84Å; R210-D353 IonicContact NH2-OD2 3.91Å; F325-D353 HydrophobicContact CE1-CB 4.05Å; F325-D353 HydrophobicContact CZ-CB 4.02Å; M329-D353 HydrophobicContact CG-CB 4.19Å; M329-D353 HydrophobicContact SD-CB 3.88Å; V349-D353 WeakPolarHBondContact O-CB 3.38Å; V349-D353 PolarHBondContact O-N 3.06Å; W350-D353 PolarHBondContact O-N 2.72Å; D353-V356 PolarHBondContact O-N 3.02Å; D353-R357 WeakPolarHBondContact O-CB 3.47Å; D353-R357 WeakPolarHBondContact O-CG 3.18Å; D353-R357 PolarHBondContact O-N 3.32Å; D353-R357 IonicContact OD2-CZ 2.68Å; D353-R357 IonicContact OD2-NE 2.78Å; D353-R357 PolarHBondContact OD2-NE 3.26Å; D353-R357 IonicContact OD2-NH2 2.62Å; D353-R357 PolarHBondContact OD2-NH2 3.29Å |
| 354 | A | 93.5 | Very high | 92.8 | Very high | 20 Ų | 20 | 51.4 Ų | 51.4 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W350 C351 L352 V356 R357 N358 | W350-A354 PolarHBondContact O-N 3.27Å; W350-A354 VanDerWaalsContact O-N 3.09Å; C351-A354 PolarHBondContact O-N 3.37Å; L352-A354 VanDerWaalsContact C-N 3.3Å; L352-A354 PolarHBondContact O-N 3.36Å; A354-V356 PolarHBondContact O-N 3.09Å; A354-R357 PolarHBondContact O-N 3.42Å; A354-N358 WeakPolarHBondContact O-CB 3.49Å; A354-N358 PolarHBondContact O-N 3.35Å; A354-N358 PolarHBondContact O-ND2 2.71Å |
| 355 | C | 94.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.5 | -61.4 | 0 | 0 | 0 | 0 | 112.5 | C351 L352 N358 R359 R360 I361 H365 T465 | C351-C355 PolarHBondContact O-N 3.27Å; C351-C355 VanDerWaalsContact O-N 3.09Å; C351-C355 PolarHBondContact O-SG 3.49Å; L352-C355 WeakPolarHBondContact O-CA 3.22Å; L352-C355 WeakPolarHBondContact O-CB 3.44Å; L352-C355 PolarHBondContact O-N 3.3Å; L352-C355 VanDerWaalsContact O-N 3.08Å; C355-N358 CarbonylContact O-C 3.54Å; C355-N358 PolarHBondContact O-N 3.5Å; C355-R359 WeakPolarHBondContact O-CA 3.46Å; C355-R359 PolarHBondContact O-N 3.4Å; C355-R360 PolarHBondContact O-N 3.06Å; C355-R360 VanDerWaalsContact O-N 3.08Å; C355-I361 HydrophobicContact CB-CG1 3.82Å; C355-H365 VanDerWaalsContact SG-CB 3.56Å; C355-T465 HydrophobicContact CB-CG2 4.17Å |
| 356 | V | 91.4 | Very high | 93 | Very high | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.012 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.9 | -44 | -179.8 | 168.3 | 0 | 0 | 0 | 0 | 110.7 | P206 L352 D353 A354 N358 R359 W461 V462 T465 | P206-V356 HydrophobicContact CG-CG1 3.85Å; L352-V356 WeakPolarHBondContact O-CB 3.39Å; L352-V356 WeakPolarHBondContact O-CG2 3.31Å; L352-V356 PolarHBondContact O-N 2.94Å; D353-V356 PolarHBondContact O-N 3.02Å; A354-V356 PolarHBondContact O-N 3.09Å; V356-N358 VanDerWaalsContact C-N 3.32Å; V356-N358 PolarHBondContact O-N 2.93Å; V356-R359 PolarHBondContact O-N 3.08Å; V356-R359 VanDerWaalsContact O-N 3.07Å; V356-W461 HydrophobicContact CG1-CB 4.09Å; V356-W461 HydrophobicContact CG1-CD2 3.93Å; V356-W461 HydrophobicContact CG1-CE3 3.67Å; V356-W461 HydrophobicContact CG1-CG 4.17Å; V356-W461 HydrophobicContact CG1-CZ3 4.3Å; V356-V462 HydrophobicContact CG2-CG2 3.96Å; V356-T465 HydrophobicContact CG2-CG2 4.44Å |
| 357 | R | 87.6 | Confident | 92.9 | Very high | 97 Ų | 97 | 51.1 Ų | 51.1 | 37% | 0.366 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.9 | -38.3 | 173.1 | -77.1 | -173.7 | -73.1 | 113.3 | 0.3 | 112.5 | W205 P207 D353 A354 R359 | W205-R357 HydrophobicContact CZ2-CG 4.18Å; P207-R357 HydrophobicContact CG-CG 4.12Å; D353-R357 WeakPolarHBondContact O-CB 3.47Å; D353-R357 WeakPolarHBondContact O-CG 3.18Å; D353-R357 PolarHBondContact O-N 3.32Å; D353-R357 IonicContact OD2-CZ 2.68Å; D353-R357 IonicContact OD2-NE 2.78Å; D353-R357 PolarHBondContact OD2-NE 3.26Å; D353-R357 IonicContact OD2-NH2 2.62Å; D353-R357 PolarHBondContact OD2-NH2 3.29Å; A354-R357 PolarHBondContact O-N 3.42Å; R357-R359 VanDerWaalsContact C-N 3.27Å; R357-R359 PolarHBondContact O-N 3.34Å |
| 358 | N | 88.3 | Confident | 92.9 | Very high | 79 Ų | 79 | 49.4 Ų | 49.4 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -8.5 | 175.2 | -66 | -18.7 | 0 | 0 | 0 | 113.4 | A354 C355 V356 R360 H365 | A354-N358 WeakPolarHBondContact O-CB 3.49Å; A354-N358 PolarHBondContact O-N 3.35Å; A354-N358 PolarHBondContact O-ND2 2.71Å; C355-N358 CarbonylContact O-C 3.54Å; C355-N358 PolarHBondContact O-N 3.5Å; V356-N358 VanDerWaalsContact C-N 3.32Å; V356-N358 PolarHBondContact O-N 2.93Å; N358-R360 HydrophobicContact CB-CG 4.33Å; N358-R360 WeakPolarHBondContact O-CG 3.16Å; N358-R360 PolarHBondContact O-N 2.75Å; N358-R360 VanDerWaalsContact O-N 3.11Å; N358-H365 PolarHBondContact ND2-NE2 3.09Å |
| 359 | R | 87.5 | Confident | 92.9 | Very high | 72 Ų | 72 | 49.3 Ų | 49.3 | 27% | 0.272 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 16.3 | -171.2 | -50.4 | -171.5 | -176 | -162 | 1.2 | 115.6 | C355 V356 R357 W461 R472 E693 | C355-R359 WeakPolarHBondContact O-CA 3.46Å; C355-R359 PolarHBondContact O-N 3.4Å; V356-R359 PolarHBondContact O-N 3.08Å; V356-R359 VanDerWaalsContact O-N 3.07Å; R357-R359 VanDerWaalsContact C-N 3.27Å; R357-R359 PolarHBondContact O-N 3.34Å; R359-W461 HydrophobicContact CG-CZ3 4.28Å; R359-R472 VanDerWaalsContact O-CZ 3.25Å; R359-R472 PolarHBondContact O-NH1 2.83Å; R359-R472 PolarHBondContact O-NH2 3.39Å; R359-E693 IonicContact CZ-OE1 3.79Å; R359-E693 IonicContact NH1-OE1 2.58Å; R359-E693 PolarHBondContact NH1-OE1 2.97Å; R359-E693 IonicContact NH1-OE2 2.74Å; R359-E693 PolarHBondContact NH1-OE2 2.96Å |
| 360 | R | 90.6 | Very high | 92.8 | Very high | 105 Ų | 105 | 51 Ų | 51 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -155.7 | 148.1 | -174.9 | 71.3 | -171.3 | -151.8 | -143 | -1.5 | 112.1 | C355 N358 D362 S469 | C355-R360 PolarHBondContact O-N 3.06Å; C355-R360 VanDerWaalsContact O-N 3.08Å; N358-R360 HydrophobicContact CB-CG 4.33Å; N358-R360 WeakPolarHBondContact O-CG 3.16Å; N358-R360 PolarHBondContact O-N 2.75Å; N358-R360 VanDerWaalsContact O-N 3.11Å; R360-D362 VanDerWaalsContact CD-OD1 3.3Å; R360-D362 WeakPolarHBondContact CD-OD1 3.32Å; R360-D362 WeakPolarHBondContact CG-OD1 3.3Å; R360-D362 IonicContact CZ-OD1 2.83Å; R360-D362 IonicContact CZ-OD2 2.7Å; R360-D362 VanDerWaalsContact CZ-OD2 3.29Å; R360-D362 IonicContact NE-OD1 3.4Å; R360-D362 PolarHBondContact NE-OD1 2.89Å; R360-D362 IonicContact NE-OD2 2.71Å; R360-D362 PolarHBondContact NE-OD2 3.12Å; R360-D362 IonicContact NH2-OD1 3.55Å; R360-D362 IonicContact NH2-OD2 2.65Å; R360-D362 PolarHBondContact NH2-OD2 2.92Å; R360-S469 WeakPolarHBondContact CA-OG 3.46Å |
| 361 | I | 94.5 | Very high | 92.8 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | trans | -108.6 | 82.7 | 177.5 | -51.4 | 167.1 | 0 | 0 | 0 | 109 | C355 H365 A366 L369 T465 I466 S469 Y473 L493 | C355-I361 HydrophobicContact CB-CG1 3.82Å; I361-H365 HydrophobicContact CG2-CB 3.95Å; I361-A366 HydrophobicContact CG2-CB 4.16Å; I361-L369 HydrophobicContact CG2-CD1 3.81Å; I361-T465 HydrophobicContact CD1-CG2 4.45Å; I361-T465 HydrophobicContact CG1-CG2 4.04Å; I361-I466 HydrophobicContact CD1-CB 4.43Å; I361-I466 HydrophobicContact CD1-CG1 3.75Å; I361-S469 PolarHBondContact N-OG 3.15Å; I361-Y473 VanDerWaalsContact O-CE2 3.24Å; I361-Y473 WeakPolarHBondContact O-CE2 3.44Å; I361-Y473 PolarHBondContact O-OH 2.81Å; I361-L493 HydrophobicContact CB-CD1 4.46Å; I361-L493 HydrophobicContact CB-CD2 4.43Å; I361-L493 HydrophobicContact CD1-CD1 4.26Å; I361-L493 HydrophobicContact CD1-CD2 4.04Å; I361-L493 HydrophobicContact CD1-CG 3.96Å; I361-L493 HydrophobicContact CG2-CD1 4.09Å | ||
| 362 | D | 92.2 | Very high | 92.6 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | trans | -66.1 | 164.4 | 177.3 | -55.9 | -24.6 | 0 | 0 | 0 | 112.6 | R360 R364 H365 A366 Y473 | R360-D362 VanDerWaalsContact CD-OD1 3.3Å; R360-D362 WeakPolarHBondContact CD-OD1 3.32Å; R360-D362 WeakPolarHBondContact CG-OD1 3.3Å; R360-D362 IonicContact CZ-OD1 2.83Å; R360-D362 IonicContact CZ-OD2 2.7Å; R360-D362 VanDerWaalsContact CZ-OD2 3.29Å; R360-D362 IonicContact NE-OD1 3.4Å; R360-D362 PolarHBondContact NE-OD1 2.89Å; R360-D362 IonicContact NE-OD2 2.71Å; R360-D362 PolarHBondContact NE-OD2 3.12Å; R360-D362 IonicContact NH2-OD1 3.55Å; R360-D362 IonicContact NH2-OD2 2.65Å; R360-D362 PolarHBondContact NH2-OD2 2.92Å; D362-R364 PolarHBondContact O-N 2.9Å; D362-H365 PolarHBondContact N-ND1 3.32Å; D362-H365 WeakPolarHBondContact O-CA 3.32Å; D362-H365 WeakPolarHBondContact O-CB 3.42Å; D362-H365 PolarHBondContact O-N 3.07Å; D362-H365 IonicContact OD2-CE1 3.43Å; D362-H365 IonicContact OD2-ND1 3.48Å; D362-A366 PolarHBondContact O-N 3.21Å; D362-Y473 WeakPolarHBondContact CA-OH 3.06Å | ||
| 363 | Q | 91.6 | Very high | 92.4 | Very high | 96 Ų | 96 | 51.6 Ų | 51.6 | 45% | 0.449 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -40.4 | -46.5 | 179.8 | -173.3 | 62.4 | 35 | 0 | 0 | 114.4 | S367 Y473 E489 | Q363-S367 WeakPolarHBondContact O-CB 3.44Å; Q363-S367 PolarHBondContact O-N 3.39Å; Q363-S367 PolarHBondContact O-OG 2.91Å; Q363-Y473 PolarHBondContact N-OH 3.13Å; Q363-Y473 VanDerWaalsContact N-OH 3.07Å; Q363-E489 VanDerWaalsContact NE2-CD 3.33Å; Q363-E489 PolarHBondContact NE2-OE1 2.85Å; Q363-E489 VanDerWaalsContact OE1-CG 3.31Å; Q363-E489 PolarHBondContact OE1-OE1 3.3Å; Q363-E489 PolarHBondContact OE1-OE2 2.89Å |
| 364 | R | 93.3 | Very high | 92.1 | Very high | 192 Ų | 192 | 55.7 Ų | 55.7 | 73% | 0.725 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -63.6 | -48.9 | 178.1 | 178.3 | 178.1 | 172.4 | 165.7 | 0.7 | 111.8 | D362 A366 S367 E368 | D362-R364 PolarHBondContact O-N 2.9Å; R364-A366 VanDerWaalsContact C-N 3.35Å; R364-A366 PolarHBondContact O-N 2.75Å; R364-S367 WeakPolarHBondContact O-CB 3.12Å; R364-S367 PolarHBondContact O-N 3.49Å; R364-E368 WeakPolarHBondContact O-CB 3.38Å; R364-E368 PolarHBondContact O-N 3.38Å |
| 365 | H | 94 | Very high | 91.9 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 13% | 0.13 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64 | -40 | 178.4 | -56.1 | 103.4 | 0 | 0 | 0 | 111.5 | C355 N358 I361 D362 E368 L369 | C355-H365 VanDerWaalsContact SG-CB 3.56Å; N358-H365 PolarHBondContact ND2-NE2 3.09Å; I361-H365 HydrophobicContact CG2-CB 3.95Å; D362-H365 PolarHBondContact N-ND1 3.32Å; D362-H365 WeakPolarHBondContact O-CA 3.32Å; D362-H365 WeakPolarHBondContact O-CB 3.42Å; D362-H365 PolarHBondContact O-N 3.07Å; D362-H365 IonicContact OD2-CE1 3.43Å; D362-H365 IonicContact OD2-ND1 3.48Å; H365-E368 PolarHBondContact O-N 2.97Å; H365-L369 WeakPolarHBondContact O-CB 3.4Å; H365-L369 VanDerWaalsContact O-CG 3.24Å; H365-L369 WeakPolarHBondContact O-CG 3.39Å; H365-L369 PolarHBondContact O-N 3.22Å |
| 366 | A | 94.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -46.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | I361 D362 R364 E368 L369 A370 E489 L492 | I361-A366 HydrophobicContact CG2-CB 4.16Å; D362-A366 PolarHBondContact O-N 3.21Å; R364-A366 VanDerWaalsContact C-N 3.35Å; R364-A366 PolarHBondContact O-N 2.75Å; A366-E368 VanDerWaalsContact C-N 3.32Å; A366-E368 PolarHBondContact O-N 3.36Å; A366-L369 PolarHBondContact O-N 2.71Å; A366-A370 WeakPolarHBondContact O-CB 3.43Å; A366-A370 PolarHBondContact O-N 2.86Å; A366-E489 HydrophobicContact CB-CB 4.31Å; A366-E489 HydrophobicContact CB-CG 3.84Å; A366-L492 HydrophobicContact CB-CD2 3.88Å; A366-L492 WeakPolarHBondContact O-CD2 3.37Å |
| 367 | S | 93.8 | Very high | 91.3 | Very high | 64 Ų | 64 | 59.6 Ų | 59.6 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60 | -40.7 | 176.3 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | Q363 R364 Y371 | Q363-S367 WeakPolarHBondContact O-CB 3.44Å; Q363-S367 PolarHBondContact O-N 3.39Å; Q363-S367 PolarHBondContact O-OG 2.91Å; R364-S367 WeakPolarHBondContact O-CB 3.12Å; R364-S367 PolarHBondContact O-N 3.49Å; S367-Y371 WeakPolarHBondContact O-CB 3.2Å; S367-Y371 PolarHBondContact O-N 3.46Å |
| 368 | E | 93.9 | Very high | 91.2 | Very high | 76 Ų | 76 | 62.1 Ų | 62.1 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -72.6 | -40.7 | -179.5 | -166.5 | 166.9 | 169.7 | 0 | 0 | 112.5 | R364 H365 A366 Y371 H372 | R364-E368 WeakPolarHBondContact O-CB 3.38Å; R364-E368 PolarHBondContact O-N 3.38Å; H365-E368 PolarHBondContact O-N 2.97Å; A366-E368 VanDerWaalsContact C-N 3.32Å; A366-E368 PolarHBondContact O-N 3.36Å; E368-Y371 PolarHBondContact O-N 3.13Å; E368-H372 PolarHBondContact O-CD2 3.03Å; E368-H372 PolarHBondContact O-N 2.76Å |
| 369 | L | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 171.2 | -72.8 | 170.7 | 0 | 0 | 0 | 111.9 | F348 C351 L352 I361 H365 A366 Y371 H372 L373 L492 L496 | F348-L369 HydrophobicContact CD2-CD2 3.89Å; F348-L369 HydrophobicContact CE2-CD2 3.84Å; C351-L369 HydrophobicContact CB-CD2 3.81Å; C351-L369 HydrophobicContact CB-CG 4.41Å; L352-L369 HydrophobicContact CD2-CD1 3.97Å; L352-L369 HydrophobicContact CD2-CD2 3.64Å; L352-L369 HydrophobicContact CD2-CG 4.49Å; L352-L369 HydrophobicContact CG-CD2 3.71Å; I361-L369 HydrophobicContact CG2-CD1 3.81Å; H365-L369 WeakPolarHBondContact O-CB 3.4Å; H365-L369 VanDerWaalsContact O-CG 3.24Å; H365-L369 WeakPolarHBondContact O-CG 3.39Å; H365-L369 PolarHBondContact O-N 3.22Å; A366-L369 PolarHBondContact O-N 2.71Å; L369-Y371 VanDerWaalsContact C-N 3.35Å; L369-H372 PolarHBondContact O-N 3.18Å; L369-L373 VanDerWaalsContact O-CB 3.27Å; L369-L373 WeakPolarHBondContact O-CB 3.34Å; L369-L373 PolarHBondContact O-N 3.19Å; L369-L492 HydrophobicContact CB-CD2 4.35Å; L369-L496 HydrophobicContact CD1-CD1 4.2Å |
| 370 | A | 93.3 | Very high | 90.1 | Very high | 36 Ų | 36 | 61.5 Ų | 61.5 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A366 Q374 L492 | A366-A370 WeakPolarHBondContact O-CB 3.43Å; A366-A370 PolarHBondContact O-N 2.86Å; A370-Q374 VanDerWaalsContact O-CB 3.26Å; A370-Q374 WeakPolarHBondContact O-CB 3.49Å; A370-Q374 PolarHBondContact O-N 2.86Å; A370-L492 HydrophobicContact CB-CD1 3.86Å; A370-L492 HydrophobicContact CB-CD2 3.95Å |
| 371 | Y | 93.9 | Very high | 89.5 | Confident | 127 Ų | 127 | 59.2 Ų | 59.2 | 50% | 0.498 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60 | -48.8 | 174.8 | 172.9 | -105.2 | 0 | 0 | 0 | 111.7 | S367 E368 L369 Q374 L375 | S367-Y371 WeakPolarHBondContact O-CB 3.2Å; S367-Y371 PolarHBondContact O-N 3.46Å; E368-Y371 PolarHBondContact O-N 3.13Å; L369-Y371 VanDerWaalsContact C-N 3.35Å; Y371-Q374 PolarHBondContact O-N 3.4Å; Y371-L375 HydrophobicContact CE1-CD2 4.02Å; Y371-L375 WeakPolarHBondContact O-CB 3.31Å; Y371-L375 PolarHBondContact O-N 3.48Å |
| 372 | H | 92.1 | Very high | 88.8 | Confident | 20 Ų | 20 | 64.8 Ų | 64.8 | 9% | 0.093 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.9 | -42.3 | -179.3 | -73.1 | -36.3 | 0 | 0 | 0 | 113.3 | F348 E368 L369 Q374 L375 Q376 | F348-H372 HydrophobicContact CB-CB 4.2Å; E368-H372 PolarHBondContact O-CD2 3.03Å; E368-H372 PolarHBondContact O-N 2.76Å; L369-H372 PolarHBondContact O-N 3.18Å; H372-Q374 PolarHBondContact O-N 2.96Å; H372-L375 PolarHBondContact O-N 3.14Å; H372-Q376 WeakPolarHBondContact O-CG 3.49Å; H372-Q376 PolarHBondContact O-N 3.38Å |
| 373 | L | 89.8 | Confident | 87.7 | Confident | 8 Ų | 8 | 66.1 Ų | 66.1 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -56.7 | -50.6 | 173.1 | 177.3 | 63.5 | 0 | 0 | 0 | 111.5 | F348 L369 L375 R377 M453 L492 L496 L499 | F348-L373 HydrophobicContact CD2-CB 4.5Å; F348-L373 HydrophobicContact CE2-CB 4.41Å; L369-L373 VanDerWaalsContact O-CB 3.27Å; L369-L373 WeakPolarHBondContact O-CB 3.34Å; L369-L373 PolarHBondContact O-N 3.19Å; L373-L375 VanDerWaalsContact C-N 3.34Å; L373-L375 PolarHBondContact O-N 3.45Å; L373-R377 WeakPolarHBondContact O-CB 3.43Å; L373-R377 WeakPolarHBondContact O-CG 3.4Å; L373-R377 PolarHBondContact O-N 3.49Å; L373-R377 VanDerWaalsContact O-N 3.09Å; L373-M453 HydrophobicContact CB-CE 4.45Å; L373-M453 HydrophobicContact CD1-CE 3.47Å; L373-M453 VanDerWaalsContact CD1-CE 3.47Å; L373-M453 HydrophobicContact CD1-SD 3.61Å; L373-L492 HydrophobicContact CD2-CD1 4.48Å; L373-L496 HydrophobicContact CD2-CD2 4.23Å; L373-L499 HydrophobicContact CD1-CD2 4.43Å |
| 374 | Q | 89.4 | Confident | 86.5 | Confident | 91 Ų | 91 | 63 Ų | 63 | 43% | 0.425 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -79.3 | -14.9 | -177.7 | -168.7 | 57 | 18.4 | 0 | 0 | 113.6 | A370 Y371 H372 R378 | A370-Q374 VanDerWaalsContact O-CB 3.26Å; A370-Q374 WeakPolarHBondContact O-CB 3.49Å; A370-Q374 PolarHBondContact O-N 2.86Å; Y371-Q374 PolarHBondContact O-N 3.4Å; H372-Q374 PolarHBondContact O-N 2.96Å; Q374-R378 WeakPolarHBondContact O-CB 3.32Å; Q374-R378 WeakPolarHBondContact O-CG 3.43Å; Q374-R378 PolarHBondContact O-N 3.27Å; Q374-R378 PolarHBondContact O-NE 2.89Å |
| 375 | L | 89 | Confident | 85.4 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 15% | 0.152 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -76.4 | -48.9 | 169.1 | 177.6 | 65.2 | 0 | 0 | 0 | 110.4 | Y371 H372 L373 R378 R379 | Y371-L375 HydrophobicContact CE1-CD2 4.02Å; Y371-L375 WeakPolarHBondContact O-CB 3.31Å; Y371-L375 PolarHBondContact O-N 3.48Å; H372-L375 PolarHBondContact O-N 3.14Å; L373-L375 VanDerWaalsContact C-N 3.34Å; L373-L375 PolarHBondContact O-N 3.45Å; L375-R378 PolarHBondContact O-N 3.43Å; L375-R379 HydrophobicContact CD1-CG 4.3Å; L375-R379 WeakPolarHBondContact O-CG 3.42Å; L375-R379 PolarHBondContact O-N 2.91Å |
| 376 | Q | 84.7 | Confident | 83.8 | Confident | 22 Ų | 22 | 58.7 Ų | 58.7 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.8 | -41.2 | -178.4 | -60.5 | -61.6 | 23.1 | 0 | 0 | 111.6 | R344 H372 R378 R379 W380 L449 | R344-Q376 VanDerWaalsContact O-CG 3.28Å; R344-Q376 WeakPolarHBondContact O-CG 3.41Å; R344-Q376 PolarHBondContact O-NE2 3.36Å; H372-Q376 WeakPolarHBondContact O-CG 3.49Å; H372-Q376 PolarHBondContact O-N 3.38Å; Q376-R378 PolarHBondContact O-N 3.5Å; Q376-R379 PolarHBondContact O-N 3.2Å; Q376-R379 VanDerWaalsContact OE1-CD 3.26Å; Q376-W380 WeakPolarHBondContact O-CB 3.45Å; Q376-W380 PolarHBondContact O-N 2.86Å; Q376-L449 HydrophobicContact CB-CD2 4.46Å |
| 377 | R | 87.3 | Confident | 81.8 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 21% | 0.208 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.7 | -36 | 170.5 | -75.1 | 176.9 | 167.8 | 161.1 | 1.7 | 113.1 | L373 A381 E450 | L373-R377 WeakPolarHBondContact O-CB 3.43Å; L373-R377 WeakPolarHBondContact O-CG 3.4Å; L373-R377 PolarHBondContact O-N 3.49Å; L373-R377 VanDerWaalsContact O-N 3.09Å; R377-A381 VanDerWaalsContact O-CB 3.27Å; R377-A381 WeakPolarHBondContact O-CB 3.28Å; R377-A381 PolarHBondContact O-N 3.43Å; R377-A381 VanDerWaalsContact O-N 3.07Å; R377-E450 IonicContact CZ-OE1 3.12Å; R377-E450 IonicContact CZ-OE2 2.84Å; R377-E450 IonicContact NE-OE1 2.64Å; R377-E450 PolarHBondContact NE-OE1 3.31Å; R377-E450 IonicContact NE-OE2 2.7Å; R377-E450 IonicContact NH2-OE1 3.36Å; R377-E450 PolarHBondContact NH2-OE1 2.84Å; R377-E450 IonicContact NH2-OE2 2.68Å; R377-E450 PolarHBondContact NH2-OE2 2.81Å |
| 378 | R | 85.4 | Confident | 79.7 | Confident | 150 Ų | 150 | 62.9 Ų | 62.9 | 57% | 0.566 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -79 | -37.3 | 177.5 | -82.8 | -172.1 | -77.8 | -171.2 | -4.5 | 114.2 | Q374 L375 Q376 K382 | Q374-R378 WeakPolarHBondContact O-CB 3.32Å; Q374-R378 WeakPolarHBondContact O-CG 3.43Å; Q374-R378 PolarHBondContact O-N 3.27Å; Q374-R378 PolarHBondContact O-NE 2.89Å; L375-R378 PolarHBondContact O-N 3.43Å; Q376-R378 PolarHBondContact O-N 3.5Å; R378-K382 PolarHBondContact O-N 3.45Å; R378-K382 VanDerWaalsContact O-N 3.12Å |
| 379 | R | 82.9 | Confident | 77.6 | Confident | 118 Ų | 118 | 65.4 Ų | 65.4 | 45% | 0.445 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.1 | -50.7 | 171.9 | -77.9 | 174.6 | 169.3 | -141.6 | -6.2 | 110.1 | L375 Q376 A381 K382 E383 | L375-R379 HydrophobicContact CD1-CG 4.3Å; L375-R379 WeakPolarHBondContact O-CG 3.42Å; L375-R379 PolarHBondContact O-N 2.91Å; Q376-R379 PolarHBondContact O-N 3.2Å; Q376-R379 VanDerWaalsContact OE1-CD 3.26Å; R379-A381 PolarHBondContact O-N 2.97Å; R379-K382 WeakPolarHBondContact O-CA 3.39Å; R379-K382 WeakPolarHBondContact O-CB 3.16Å; R379-K382 PolarHBondContact O-N 3.13Å; R379-E383 WeakPolarHBondContact O-CG 3.49Å; R379-E383 PolarHBondContact O-N 2.95Å |
| 380 | W | 70.6 | Confident | 75.1 | Confident | 19 Ų | 19 | 73 Ų | 73 | 7% | 0.072 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.4 | -48.9 | 177.8 | -166.4 | -103.7 | 0 | 0 | 0 | 112.7 | R344 Q376 K382 E383 T384 D445 V446 L449 | R344-W380 VanDerWaalsContact NH2-CZ3 3.3Å; Q376-W380 WeakPolarHBondContact O-CB 3.45Å; Q376-W380 PolarHBondContact O-N 2.86Å; W380-K382 PolarHBondContact O-N 2.91Å; W380-E383 VanDerWaalsContact CE3-OE2 3.28Å; W380-E383 WeakPolarHBondContact CZ3-OE2 3.12Å; W380-E383 PolarHBondContact O-N 3.43Å; W380-T384 HydrophobicContact CZ2-CG2 3.78Å; W380-T384 PolarHBondContact O-N 2.9Å; W380-T384 PolarHBondContact O-OG1 3.42Å; W380-T384 VanDerWaalsContact O-OG1 3.12Å; W380-D445 HydrophobicContact CH2-CB 4Å; W380-D445 HydrophobicContact CZ2-CB 3.48Å; W380-D445 VanDerWaalsContact CZ2-CB 3.48Å; W380-V446 VanDerWaalsContact NE1-CG2 3.26Å; W380-L449 HydrophobicContact CB-CD2 3.67Å; W380-L449 HydrophobicContact CD2-CD2 4.36Å; W380-L449 HydrophobicContact CG-CD2 3.78Å |
| 381 | A | 78.8 | Confident | 72.6 | Confident | 57 Ų | 57 | 74.1 Ų | 74.1 | 47% | 0.471 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.6 | -27.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R377 R379 T384 A385 | R377-A381 VanDerWaalsContact O-CB 3.27Å; R377-A381 WeakPolarHBondContact O-CB 3.28Å; R377-A381 PolarHBondContact O-N 3.43Å; R377-A381 VanDerWaalsContact O-N 3.07Å; R379-A381 PolarHBondContact O-N 2.97Å; A381-T384 WeakPolarHBondContact CA-OG1 3.35Å; A381-T384 PolarHBondContact O-OG1 3.28Å; A381-A385 WeakPolarHBondContact O-CB 3.29Å; A381-A385 PolarHBondContact O-N 3.26Å |
| 382 | K | 78.9 | Confident | 70.4 | Confident | 120 Ų | 120 | 77.2 Ų | 77.2 | 52% | 0.522 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -77.2 | -46.8 | 173.6 | -166.5 | -165.6 | -177 | -58.4 | 0 | 111.3 | R378 R379 W380 T384 A385 D386 | R378-K382 PolarHBondContact O-N 3.45Å; R378-K382 VanDerWaalsContact O-N 3.12Å; R379-K382 WeakPolarHBondContact O-CA 3.39Å; R379-K382 WeakPolarHBondContact O-CB 3.16Å; R379-K382 PolarHBondContact O-N 3.13Å; W380-K382 PolarHBondContact O-N 2.91Å; K382-T384 VanDerWaalsContact C-N 3.32Å; K382-T384 PolarHBondContact O-N 3.19Å; K382-A385 CarbonylContact O-C 3.45Å; K382-A385 WeakPolarHBondContact O-CA 3.5Å; K382-A385 WeakPolarHBondContact O-CB 3.3Å; K382-A385 PolarHBondContact O-N 3.19Å; K382-D386 IonicContact NZ-OD1 2.9Å; K382-D386 PolarHBondContact NZ-OD1 2.76Å; K382-D386 IonicContact NZ-OD2 3.88Å; K382-D386 PolarHBondContact NZ-OD2 3.05Å; K382-D386 PolarHBondContact O-N 2.91Å |
| 383 | E | 69.1 | Low | 67.9 | Low | 79 Ų | 79 | 83.9 Ų | 83.9 | 37% | 0.369 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -54.2 | -48.9 | 176.9 | -73 | 155.7 | -149.9 | 0 | 0 | 110.2 | R379 W380 A385 D386 E387 | R379-E383 WeakPolarHBondContact O-CG 3.49Å; R379-E383 PolarHBondContact O-N 2.95Å; W380-E383 VanDerWaalsContact CE3-OE2 3.28Å; W380-E383 WeakPolarHBondContact CZ3-OE2 3.12Å; W380-E383 PolarHBondContact O-N 3.43Å; E383-A385 PolarHBondContact O-N 2.73Å; E383-A385 VanDerWaalsContact O-N 3.15Å; E383-D386 PolarHBondContact O-N 3.05Å; E383-E387 WeakPolarHBondContact O-CG 3.41Å; E383-E387 PolarHBondContact O-N 3.11Å; E383-E387 VanDerWaalsContact O-N 3.16Å |
| 384 | T | 67.1 | Low | 65.4 | Low | 29 Ų | 29 | 88.7 Ų | 88.7 | 18% | 0.178 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -65.7 | -15.3 | 175 | 56.8 | 0 | 0 | 0 | 0 | 115.3 | W380 A381 K382 C388 V446 | W380-T384 HydrophobicContact CZ2-CG2 3.78Å; W380-T384 PolarHBondContact O-N 2.9Å; W380-T384 PolarHBondContact O-OG1 3.42Å; W380-T384 VanDerWaalsContact O-OG1 3.12Å; A381-T384 WeakPolarHBondContact CA-OG1 3.35Å; A381-T384 PolarHBondContact O-OG1 3.28Å; K382-T384 VanDerWaalsContact C-N 3.32Å; K382-T384 PolarHBondContact O-N 3.19Å; T384-C388 PolarHBondContact O-SG 2.97Å; T384-C388 VanDerWaalsContact O-SG 3.4Å; T384-V446 HydrophobicContact CG2-CG2 4.24Å |
| 385 | A | 69.2 | Low | 62.7 | Low | 53 Ų | 53 | 92.2 Ų | 92.2 | 44% | 0.438 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -95.7 | -38.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A381 K382 E383 C388 H389 | A381-A385 WeakPolarHBondContact O-CB 3.29Å; A381-A385 PolarHBondContact O-N 3.26Å; K382-A385 CarbonylContact O-C 3.45Å; K382-A385 WeakPolarHBondContact O-CA 3.5Å; K382-A385 WeakPolarHBondContact O-CB 3.3Å; K382-A385 PolarHBondContact O-N 3.19Å; E383-A385 PolarHBondContact O-N 2.73Å; E383-A385 VanDerWaalsContact O-N 3.15Å; A385-C388 WeakPolarHBondContact O-CB 3.27Å; A385-C388 PolarHBondContact O-N 3.48Å; A385-C388 VanDerWaalsContact O-N 3.13Å; A385-H389 PolarHBondContact O-N 3.49Å |
| 386 | D | 60.7 | Low | 60 | Low | 77 Ų | 77 | 93.9 Ų | 93.9 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -44.6 | 174.5 | -62.4 | -24.9 | 0 | 0 | 0 | 110.1 | K382 E383 C388 H389 E390 | K382-D386 IonicContact NZ-OD1 2.9Å; K382-D386 PolarHBondContact NZ-OD1 2.76Å; K382-D386 IonicContact NZ-OD2 3.88Å; K382-D386 PolarHBondContact NZ-OD2 3.05Å; K382-D386 PolarHBondContact O-N 2.91Å; E383-D386 PolarHBondContact O-N 3.05Å; D386-C388 PolarHBondContact O-N 3.28Å; D386-C388 VanDerWaalsContact O-N 3.16Å; D386-H389 WeakPolarHBondContact O-CB 3.48Å; D386-H389 PolarHBondContact O-N 3.4Å; D386-E390 PolarHBondContact O-N 2.84Å; D386-E390 VanDerWaalsContact O-N 3.12Å |
| 387 | E | 52.9 | Low | 57.5 | Low | 99 Ų | 99 | 100.6 Ų | 100.6 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15.8 | 173.4 | -72.7 | -177.8 | 174.7 | 0 | 0 | 114.3 | E383 K442 | E383-E387 WeakPolarHBondContact O-CG 3.41Å; E383-E387 PolarHBondContact O-N 3.11Å; E383-E387 VanDerWaalsContact O-N 3.16Å; E387-K442 VanDerWaalsContact C-NZ 3.27Å; E387-K442 PolarHBondContact O-NZ 3.13Å; E387-K442 VanDerWaalsContact OE2-CE 3.31Å; E387-K442 WeakPolarHBondContact OE2-CE 3.32Å |
| 388 | C | 48 | Very low | 55.1 | Low | 56 Ų | 56 | 106.4 Ų | 106.4 | 38% | 0.378 | 56% | 0.555 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.9 | -4.4 | 172.7 | -80.4 | 0 | 0 | 0 | 0 | 112.8 | T384 A385 D386 S391 Y392 K442 | T384-C388 PolarHBondContact O-SG 2.97Å; T384-C388 VanDerWaalsContact O-SG 3.4Å; A385-C388 WeakPolarHBondContact O-CB 3.27Å; A385-C388 PolarHBondContact O-N 3.48Å; A385-C388 VanDerWaalsContact O-N 3.13Å; D386-C388 PolarHBondContact O-N 3.28Å; D386-C388 VanDerWaalsContact O-N 3.16Å; C388-S391 PolarHBondContact O-OG 2.96Å; C388-Y392 VanDerWaalsContact O-CD2 3.26Å; C388-Y392 WeakPolarHBondContact O-CD2 3.46Å; C388-Y392 WeakPolarHBondContact O-CE2 3.41Å; C388-K442 PolarHBondContact SG-NZ 3.45Å |
| 389 | H | 51.8 | Low | 52.6 | Low | 129 Ų | 129 | 105 Ų | 105 | 60% | 0.597 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -41.1 | 177 | -135.9 | -73.9 | 0 | 0 | 0 | 111.3 | A385 D386 S391 Y392 | A385-H389 PolarHBondContact O-N 3.49Å; D386-H389 WeakPolarHBondContact O-CB 3.48Å; D386-H389 PolarHBondContact O-N 3.4Å; H389-S391 PolarHBondContact O-N 2.89Å; H389-Y392 PolarHBondContact O-N 3.28Å; H389-Y392 VanDerWaalsContact O-N 3.1Å |
| 390 | E | 42.3 | Very low | 50.3 | Low | 158 Ų | 158 | 103.3 Ų | 103.3 | 74% | 0.738 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.3 | -29.9 | 179.9 | -160.3 | 166.4 | -138.7 | 0 | 0 | 112.4 | D386 Y392 | D386-E390 PolarHBondContact O-N 2.84Å; D386-E390 VanDerWaalsContact O-N 3.12Å; E390-Y392 PolarHBondContact O-N 3.46Å |
| 391 | S | 40.4 | Very low | 48.5 | Very low | 61 Ų | 61 | 110.7 Ų | 110.7 | 43% | 0.427 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.2 | -10.5 | 174.6 | 57.1 | 0 | 0 | 0 | 0 | 115.1 | C388 H389 | C388-S391 PolarHBondContact O-OG 2.96Å; H389-S391 PolarHBondContact O-N 2.89Å |
| 392 | Y | 48.4 | Very low | 46.3 | Very low | 192 Ų | 192 | 114.2 Ų | 114.2 | 75% | 0.753 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -108 | -15.9 | -179.5 | -72 | -68.4 | 0 | 0 | 0 | 115.2 | C388 H389 E390 | C388-Y392 VanDerWaalsContact O-CD2 3.26Å; C388-Y392 WeakPolarHBondContact O-CD2 3.46Å; C388-Y392 WeakPolarHBondContact O-CE2 3.41Å; H389-Y392 PolarHBondContact O-N 3.28Å; H389-Y392 VanDerWaalsContact O-N 3.1Å; E390-Y392 PolarHBondContact O-N 3.46Å |
| 393 | E | 39.6 | Very low | 44.1 | Very low | 160 Ų | 160 | 115.8 Ų | 115.8 | 75% | 0.748 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -91 | -12.8 | -178.5 | -63.6 | -160.5 | 152.3 | 0 | 0 | 114 | N395 | E393-N395 PolarHBondContact O-N 3.29Å |
| 394 | S | 36.1 | Very low | 42.5 | Very low | 108 Ų | 108 | 119.9 Ų | 119.9 | 76% | 0.755 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -79.5 | 37.3 | 178.2 | -171.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 395 | N | 34 | Very low | 40.7 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 89% | 0.888 | 69% | 0.69 | S | S | * | * | trans | -144.8 | 71.9 | 175.7 | -102.3 | -44.6 | 0 | 0 | 0 | 112 | E393 | E393-N395 PolarHBondContact O-N 3.29Š| ||
| 396 | G | 32.1 | Very low | 38.8 | Very low | 64 Ų | 64 | 131.4 Ų | 131.4 | 66% | 0.66 | 71% | 0.708 | S | S | * | * | trans | -154.9 | 69.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 397 | N | 31.1 | Very low | 37.5 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 87% | 0.866 | 73% | 0.729 | S | S | * | * | trans | -166.7 | 104.7 | 157.4 | -105.7 | -33.8 | 0 | 0 | 0 | 113.3 | ||||
| 398 | I | 37.9 | Very low | 36.3 | Very low | 177 Ų | 177 | 136.4 Ų | 136.4 | 91% | 0.908 | 74% | 0.739 | S | S | * | * | trans | -164.1 | 140.5 | 145 | -100.8 | 153.6 | 0 | 0 | 0 | 107 | ||||
| 399 | S | 32.4 | Very low | 35.4 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -97.9 | 149.2 | -165.2 | 52.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 400 | G | 36 | Very low | 34.3 | Very low | 81 Ų | 81 | 138.6 Ų | 138.6 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | trans | -154.2 | 136.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 401 | E | 31.2 | Very low | 33.7 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -86.9 | 157.9 | -161.5 | -77.8 | -173.2 | 109.4 | 0 | 0 | 117.5 | ||||
| 402 | M | 32.6 | Very low | 33.2 | Very low | 130 Ų | 130 | 138.1 Ų | 138.1 | 64% | 0.64 | 78% | 0.783 | S | S | * | * | trans | 53.4 | 130.3 | 148.6 | -61.1 | 163.9 | 100.9 | 0 | 0 | 119.4 | ||||
| 403 | F | 34.2 | Very low | 32.3 | Very low | 154 Ų | 154 | 141 Ų | 141 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | -168.8 | 149.3 | 58.2 | -105.2 | -71.9 | 0 | 0 | 0 | 114.5 | |||||
| 404 | K | 35.1 | Very low | 31.9 | Very low | 165 Ų | 165 | 137 Ų | 137 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | trans | 46.7 | 114.3 | 147.8 | -81.2 | 165.4 | -178.5 | 171.8 | 0 | 123.1 | ||||
| 405 | R | 28.8 | Very low | 31.7 | Very low | 245 Ų | 245 | 141.4 Ų | 141.4 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | 51.8 | 128.6 | 125.5 | -60.1 | -178.5 | 179 | -175.5 | -1.4 | 121.3 | |||||
| 406 | G | 29.7 | Very low | 31.4 | Very low | 78 Ų | 78 | 140.6 Ų | 140.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 176.1 | 107.9 | 157.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 407 | H | 33 | Very low | 31.4 | Very low | 186 Ų | 186 | 143 Ų | 143 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -66.4 | 132.6 | -173 | -79.2 | -95.9 | 0 | 0 | 0 | 117.9 | ||||
| 408 | S | 28.4 | Very low | 31.3 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | trans | 29.7 | 125.9 | 136.9 | 59 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 409 | S | 27.8 | Very low | 30.9 | Very low | 109 Ų | 109 | 142.3 Ų | 142.3 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | 63.9 | 122 | 137.5 | 64.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 410 | S | 30 | Very low | 30.9 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | 172.2 | 171.3 | 100.5 | 53.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 411 | S | 28.9 | Very low | 30.7 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -47.2 | 158.8 | 177.3 | -154 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 412 | S | 31.1 | Very low | 30.7 | Very low | 97 Ų | 97 | 143.5 Ų | 143.5 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | cis | -179.3 | 160.4 | 49.7 | 66.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 413 | R | 27.5 | Very low | 30.6 | Very low | 252 Ų | 252 | 143.8 Ų | 143.8 | 95% | 0.951 | 80% | 0.801 | S | S | * | * | trans | 38.3 | 129.4 | 144.8 | -72.3 | 177.3 | 132.5 | 142.6 | -3.1 | 123.8 | ||||
| 414 | G | 31.9 | Very low | 30.3 | Very low | 76 Ų | 76 | 146 Ų | 146 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | 167.1 | 92.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 415 | K | 32.4 | Very low | 29.9 | Very low | 202 Ų | 202 | 145.7 Ų | 145.7 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | 66.5 | 110.2 | 93.1 | -83.2 | -169.3 | 173.2 | -177.1 | 0 | 118.1 | |||||
| 416 | N | 28.1 | Very low | 30 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | 27.7 | 131.8 | 146 | -53.1 | 2.8 | 0 | 0 | 0 | 120 | ||||
| 417 | S | 31.4 | Very low | 30 | Very low | 114 Ų | 114 | 143.7 Ų | 143.7 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | 179.5 | 148.2 | 77.1 | -69.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 418 | K | 29.8 | Very low | 30.1 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | 25.4 | 126 | 147 | -79 | -178.9 | 173.5 | 177.5 | 0 | 123.1 | ||||
| 419 | S | 29.4 | Very low | 29.9 | Very low | 124 Ų | 124 | 141.4 Ų | 141.4 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | 75.7 | 120.4 | 121.1 | -173.5 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 420 | G | 30.8 | Very low | 29.8 | Very low | 76 Ų | 76 | 141.9 Ų | 141.9 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | -179.9 | 124.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 421 | K | 31.7 | Very low | 29.8 | Very low | 201 Ų | 201 | 140.6 Ų | 140.6 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -94.4 | 145.8 | 162.7 | -67.5 | 176.4 | 173.8 | 174.9 | 0 | 107.1 | ||||
| 422 | T | 32.4 | Very low | 29.7 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | 175.3 | 159 | 77.3 | 44.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 423 | N | 29.9 | Very low | 29.6 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 78.6 | 113.3 | 142.7 | -111.7 | -18.4 | 0 | 0 | 0 | 123.8 | ||||
| 424 | R | 28.2 | Very low | 29.7 | Very low | 200 Ų | 200 | 145.9 Ų | 145.9 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | 78.5 | 129.6 | 122.9 | -105.7 | -180 | 173.5 | -173.7 | 0.4 | 122.7 | |||||
| 425 | K | 26.8 | Very low | 29.4 | Very low | 160 Ų | 160 | 147.8 Ų | 147.8 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | trans | 69.5 | 150.3 | 157.1 | -63.7 | -179.2 | 177 | -173.6 | 0 | 114.9 | ||||
| 426 | Q | 31.7 | Very low | 29.3 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | cis | -147.2 | 150.8 | 3.7 | -131.4 | 150 | -41.8 | 0 | 0 | 109.2 | ||||
| 427 | S | 29.4 | Very low | 29.8 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -87.3 | 153 | 165.9 | 48.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 428 | P | 33.7 | Very low | 30.1 | Very low | 112 Ų | 112 | 140.6 Ų | 140.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | -147 | 155.3 | 106 | 40.3 | -26.1 | 0 | 0 | 0 | 116.8 | |||||
| 429 | T | 24.9 | Very low | 30.5 | Very low | 121 Ų | 121 | 136 Ų | 136 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | 51.5 | 119.3 | 143.9 | 55.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 430 | S | 25.2 | Very low | 30.9 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | 65.9 | 93.5 | 123 | -49 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 431 | A | 30.8 | Very low | 31.1 | Very low | 95 Ų | 95 | 139 Ų | 139 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -136.3 | 115.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | K433 | A431-K433 PolarHBondContact O-N 2.85Å; A431-K433 VanDerWaalsContact O-N 3.15Å | ||
| 432 | E | 26 | Very low | 31.2 | Very low | 203 Ų | 203 | 131.5 Ų | 131.5 | 95% | 0.949 | 70% | 0.704 | S | S | * | * | trans | -73.6 | 103.6 | 176.5 | -66.9 | -178 | 128.9 | 0 | 0 | 109.3 | ||||
| 433 | K | 30.1 | Very low | 31.7 | Very low | 195 Ų | 195 | 130.5 Ų | 130.5 | 85% | 0.848 | 69% | 0.693 | S | S | * | * | trans | -86.2 | 113.2 | 165.2 | -79.8 | -163.3 | 170.8 | -170.6 | 0 | 109.3 | A431 C435 | A431-K433 PolarHBondContact O-N 2.85Å; A431-K433 VanDerWaalsContact O-N 3.15Å; K433-C435 PolarHBondContact O-N 2.86Å | ||
| 434 | H | 28.1 | Very low | 32.7 | Very low | 174 Ų | 174 | 126.1 Ų | 126.1 | 81% | 0.806 | 68% | 0.676 | S | S | * | * | trans | -42.1 | 128 | 164.5 | -134.7 | -82.8 | 0 | 0 | 0 | 109.6 | ||||
| 435 | C | 26.6 | Very low | 33.9 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 79% | 0.791 | 65% | 0.654 | S | S | * | * | trans | -75.3 | 134.5 | 162.2 | -66 | 0 | 0 | 0 | 0 | 107.2 | K433 | K433-C435 PolarHBondContact O-N 2.86Š| ||
| 436 | N | 30.3 | Very low | 35.5 | Very low | 105 Ų | 105 | 114.7 Ų | 114.7 | 56% | 0.561 | 64% | 0.64 | S | S | * | * | trans | -76.4 | 146.2 | -180 | -69.6 | -9.1 | 0 | 0 | 0 | 109.6 | E438 | N436-E438 PolarHBondContact O-N 3.38Š| ||
| 437 | S | 38.1 | Very low | 37.4 | Very low | 94 Ų | 94 | 110.4 Ų | 110.4 | 66% | 0.657 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.3 | -26 | -175.6 | -163.5 | 0 | 0 | 0 | 0 | 113.2 | L440 E441 | S437-L440 WeakPolarHBondContact O-CB 2.96Å; S437-L440 PolarHBondContact O-N 2.83Å; S437-E441 PolarHBondContact O-N 3.24Å |
| 438 | E | 38.8 | Very low | 40.1 | Very low | 114 Ų | 114 | 107.2 Ų | 107.2 | 53% | 0.533 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69 | -35.5 | -171.7 | -59.9 | 172.4 | 178.4 | 0 | 0 | 113.4 | N436 L440 E441 K442 | N436-E438 PolarHBondContact O-N 3.38Å; E438-L440 PolarHBondContact O-N 3.43Å; E438-E441 PolarHBondContact O-N 2.96Å; E438-K442 PolarHBondContact O-N 3.09Å; E438-K442 VanDerWaalsContact O-N 3.09Å |
| 439 | D | 37.7 | Very low | 42.7 | Very low | 105 Ų | 105 | 102.1 Ų | 102.1 | 56% | 0.561 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.7 | -31.3 | 175.9 | -77.7 | -45 | 0 | 0 | 0 | 111.8 | I443 | D439-I443 WeakPolarHBondContact O-CB 3.43Å; D439-I443 WeakPolarHBondContact O-CD1 3.37Å; D439-I443 VanDerWaalsContact O-CG1 3.22Å; D439-I443 WeakPolarHBondContact O-CG1 3.32Å; D439-I443 PolarHBondContact O-N 3.2Å |
| 440 | L | 37.4 | Very low | 45.7 | Very low | 129 Ų | 129 | 98.8 Ų | 98.8 | 68% | 0.675 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -75.1 | -35.3 | -179.7 | -169.1 | 64.4 | 0 | 0 | 0 | 111.6 | S437 E438 A444 | S437-L440 WeakPolarHBondContact O-CB 2.96Å; S437-L440 PolarHBondContact O-N 2.83Å; E438-L440 PolarHBondContact O-N 3.43Å; L440-A444 PolarHBondContact O-N 3.17Å |
| 441 | E | 35.3 | Very low | 48.8 | Very low | 135 Ų | 135 | 96.7 Ų | 96.7 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.5 | -45.3 | 179.1 | -165.7 | 157.4 | -145.3 | 0 | 0 | 111.4 | S437 E438 I443 A444 D445 | S437-E441 PolarHBondContact O-N 3.24Å; E438-E441 PolarHBondContact O-N 2.96Å; E441-I443 VanDerWaalsContact C-N 3.27Å; E441-I443 PolarHBondContact O-N 3.44Å; E441-A444 WeakPolarHBondContact O-CA 3.35Å; E441-A444 VanDerWaalsContact O-CB 3.31Å; E441-A444 WeakPolarHBondContact O-CB 3.47Å; E441-A444 PolarHBondContact O-N 3.42Å; E441-D445 PolarHBondContact O-N 2.83Å |
| 442 | K | 34.9 | Very low | 51.8 | Low | 42 Ų | 42 | 92.3 Ų | 92.3 | 18% | 0.183 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -62.3 | -33.3 | 174.2 | -71.9 | 172.6 | 177.1 | 171.2 | 0 | 112.6 | E387 C388 E438 V446 | E387-K442 VanDerWaalsContact C-NZ 3.27Å; E387-K442 PolarHBondContact O-NZ 3.13Å; E387-K442 VanDerWaalsContact OE2-CE 3.31Å; E387-K442 WeakPolarHBondContact OE2-CE 3.32Å; C388-K442 PolarHBondContact SG-NZ 3.45Å; E438-K442 PolarHBondContact O-N 3.09Å; E438-K442 VanDerWaalsContact O-N 3.09Å; K442-V446 WeakPolarHBondContact O-CG2 3.28Å; K442-V446 PolarHBondContact O-N 2.9Å |
| 443 | I | 42.9 | Very low | 55 | Low | 104 Ų | 104 | 82.7 Ų | 82.7 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -69.3 | -37.1 | 170.1 | -71.1 | 170 | 0 | 0 | 0 | 111.5 | D439 E441 D445 N447 | D439-I443 WeakPolarHBondContact O-CB 3.43Å; D439-I443 WeakPolarHBondContact O-CD1 3.37Å; D439-I443 VanDerWaalsContact O-CG1 3.22Å; D439-I443 WeakPolarHBondContact O-CG1 3.32Å; D439-I443 PolarHBondContact O-N 3.2Å; E441-I443 VanDerWaalsContact C-N 3.27Å; E441-I443 PolarHBondContact O-N 3.44Å; I443-D445 PolarHBondContact O-N 3.31Å; I443-N447 PolarHBondContact O-N 2.89Å; I443-N447 PolarHBondContact O-ND2 3.46Å |
| 444 | A | 50.9 | Low | 58 | Low | 45 Ų | 45 | 75 Ų | 75 | 37% | 0.372 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L440 E441 N447 L448 | L440-A444 PolarHBondContact O-N 3.17Å; E441-A444 WeakPolarHBondContact O-CA 3.35Å; E441-A444 VanDerWaalsContact O-CB 3.31Å; E441-A444 WeakPolarHBondContact O-CB 3.47Å; E441-A444 PolarHBondContact O-N 3.42Å; A444-N447 WeakPolarHBondContact O-CB 3.36Å; A444-N447 PolarHBondContact O-N 3.42Å; A444-L448 WeakPolarHBondContact O-CG 3.26Å; A444-L448 PolarHBondContact O-N 2.96Å |
| 445 | D | 52.9 | Low | 61.2 | Low | 56 Ų | 56 | 66.9 Ų | 66.9 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -76 | -33.8 | -176 | -91.2 | 28 | 0 | 0 | 0 | 114.5 | W380 E441 I443 N447 L448 L449 | W380-D445 HydrophobicContact CH2-CB 4Å; W380-D445 HydrophobicContact CZ2-CB 3.48Å; W380-D445 VanDerWaalsContact CZ2-CB 3.48Å; E441-D445 PolarHBondContact O-N 2.83Å; I443-D445 PolarHBondContact O-N 3.31Å; D445-N447 PolarHBondContact O-N 3.25Å; D445-L448 WeakPolarHBondContact O-CB 3.33Å; D445-L448 PolarHBondContact O-N 3.35Å; D445-L448 WeakPolarHBondContact OD1-CD1 3.49Å; D445-L449 PolarHBondContact O-N 3.5Å |
| 446 | V | 59.2 | Low | 64.5 | Low | 64 Ų | 64 | 61.3 Ų | 61.3 | 39% | 0.388 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.7 | -42.6 | 167.5 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | W380 T384 K442 L448 E450 | W380-V446 VanDerWaalsContact NE1-CG2 3.26Å; T384-V446 HydrophobicContact CG2-CG2 4.24Å; K442-V446 WeakPolarHBondContact O-CG2 3.28Å; K442-V446 PolarHBondContact O-N 2.9Å; V446-L448 VanDerWaalsContact C-N 3.28Å; V446-L448 PolarHBondContact O-N 3.07Å; V446-E450 PolarHBondContact O-N 3.31Å |
| 447 | N | 72.8 | Confident | 67.6 | Low | 80 Ų | 80 | 56.3 Ų | 56.3 | 43% | 0.428 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -67.6 | -26.5 | 175.3 | -74.2 | -68.8 | 0 | 0 | 0 | 112.5 | I443 A444 D445 K451 | I443-N447 PolarHBondContact O-N 2.89Å; I443-N447 PolarHBondContact O-ND2 3.46Å; A444-N447 WeakPolarHBondContact O-CB 3.36Å; A444-N447 PolarHBondContact O-N 3.42Å; D445-N447 PolarHBondContact O-N 3.25Å; N447-K451 VanDerWaalsContact O-CB 3.25Å; N447-K451 WeakPolarHBondContact O-CB 3.47Å; N447-K451 WeakPolarHBondContact O-CD 3.21Å; N447-K451 WeakPolarHBondContact O-CG 3.28Å; N447-K451 PolarHBondContact O-N 3.29Å |
| 448 | L | 85.9 | Confident | 70.2 | Confident | 42 Ų | 42 | 52.1 Ų | 52.1 | 22% | 0.22 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -74.4 | -35.8 | 178.7 | -74.8 | 165.8 | 0 | 0 | 0 | 113.1 | A444 D445 V446 K451 D452 | A444-L448 WeakPolarHBondContact O-CG 3.26Å; A444-L448 PolarHBondContact O-N 2.96Å; D445-L448 WeakPolarHBondContact O-CB 3.33Å; D445-L448 PolarHBondContact O-N 3.35Å; D445-L448 WeakPolarHBondContact OD1-CD1 3.49Å; V446-L448 VanDerWaalsContact C-N 3.28Å; V446-L448 PolarHBondContact O-N 3.07Å; L448-K451 HydrophobicContact CD2-CD 4.31Å; L448-D452 PolarHBondContact O-N 3.23Å |
| 449 | L | 88.2 | Confident | 72.8 | Confident | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.8 | -50.2 | 172.2 | 178.1 | 59.6 | 0 | 0 | 0 | 111.5 | R344 I345 Q376 W380 D445 K451 D452 M453 | R344-L449 HydrophobicContact CB-CD1 3.89Å; I345-L449 HydrophobicContact CG2-CD1 3.96Å; Q376-L449 HydrophobicContact CB-CD2 4.46Å; W380-L449 HydrophobicContact CB-CD2 3.67Å; W380-L449 HydrophobicContact CD2-CD2 4.36Å; W380-L449 HydrophobicContact CG-CD2 3.78Å; D445-L449 PolarHBondContact O-N 3.5Å; L449-K451 VanDerWaalsContact C-N 3.31Å; L449-K451 PolarHBondContact O-N 3.46Å; L449-D452 PolarHBondContact O-N 3.13Å; L449-D452 VanDerWaalsContact O-N 3.15Å; L449-M453 HydrophobicContact CD1-CG 4.37Å; L449-M453 WeakPolarHBondContact O-CG 3.25Å; L449-M453 PolarHBondContact O-N 3.22Å |
| 450 | E | 87.9 | Confident | 75.3 | Confident | 52 Ų | 52 | 42 Ų | 42 | 24% | 0.243 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -33.3 | -179.9 | -68 | -69 | 148.7 | 0 | 0 | 112.1 | R377 V446 M453 H454 | R377-E450 IonicContact CZ-OE1 3.12Å; R377-E450 IonicContact CZ-OE2 2.84Å; R377-E450 IonicContact NE-OE1 2.64Å; R377-E450 PolarHBondContact NE-OE1 3.31Å; R377-E450 IonicContact NE-OE2 2.7Å; R377-E450 IonicContact NH2-OE1 3.36Å; R377-E450 PolarHBondContact NH2-OE1 2.84Å; R377-E450 IonicContact NH2-OE2 2.68Å; R377-E450 PolarHBondContact NH2-OE2 2.81Å; V446-E450 PolarHBondContact O-N 3.31Å; E450-M453 PolarHBondContact O-N 3.29Å; E450-H454 WeakPolarHBondContact O-CB 3.49Å; E450-H454 PolarHBondContact O-N 2.96Å |
| 451 | K | 89.6 | Confident | 77.8 | Confident | 74 Ų | 74 | 36.2 Ų | 36.2 | 32% | 0.322 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60 | -46 | 169.8 | -80.9 | 164.2 | -172.7 | 169.4 | 0 | 112.5 | I242 N447 L448 L449 M453 H454 M455 | I242-K451 HydrophobicContact CD1-CD 4.06Å; N447-K451 VanDerWaalsContact O-CB 3.25Å; N447-K451 WeakPolarHBondContact O-CB 3.47Å; N447-K451 WeakPolarHBondContact O-CD 3.21Å; N447-K451 WeakPolarHBondContact O-CG 3.28Å; N447-K451 PolarHBondContact O-N 3.29Å; L448-K451 HydrophobicContact CD2-CD 4.31Å; L449-K451 VanDerWaalsContact C-N 3.31Å; L449-K451 PolarHBondContact O-N 3.46Å; K451-M453 VanDerWaalsContact C-N 3.29Å; K451-M453 PolarHBondContact O-N 3.43Å; K451-H454 WeakPolarHBondContact O-CB 3.23Å; K451-H454 PolarHBondContact O-N 3.01Å; K451-M455 WeakPolarHBondContact O-CG 3.23Å; K451-M455 PolarHBondContact O-N 3.35Å |
| 452 | D | 93.4 | Very high | 80.5 | Confident | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.6 | -36.9 | 178.1 | -96.3 | 8.1 | 0 | 0 | 0 | 111.6 | R238 R324 I345 L448 L449 A456 | R238-D452 IonicContact CZ-OD1 2.71Å; R238-D452 IonicContact CZ-OD2 3.66Å; R238-D452 IonicContact NE-OD1 2.92Å; R238-D452 PolarHBondContact NE-OD1 3Å; R238-D452 IonicContact NE-OD2 2.74Å; R238-D452 VanDerWaalsContact NH2-CG 3.31Å; R238-D452 IonicContact NH2-OD1 2.99Å; R238-D452 PolarHBondContact NH2-OD1 2.97Å; R238-D452 IonicContact NH2-OD2 2.71Å; R238-D452 PolarHBondContact NH2-OD2 2.98Å; R324-D452 IonicContact CZ-OD2 2.83Å; R324-D452 IonicContact NE-OD1 2.67Å; R324-D452 PolarHBondContact NE-OD1 2.93Å; R324-D452 IonicContact NE-OD2 2.75Å; R324-D452 IonicContact NH2-OD1 3.61Å; R324-D452 IonicContact NH2-OD2 3.16Å; R324-D452 PolarHBondContact NH2-OD2 3.44Å; I345-D452 HydrophobicContact CD1-CB 4.06Å; I345-D452 HydrophobicContact CG2-CB 3.98Å; L448-D452 PolarHBondContact O-N 3.23Å; L449-D452 PolarHBondContact O-N 3.13Å; L449-D452 VanDerWaalsContact O-N 3.15Å; D452-A456 WeakPolarHBondContact O-CB 3.35Å; D452-A456 PolarHBondContact O-N 3.25Å |
| 453 | M | 93.2 | Very high | 83.3 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.7 | -36.5 | 174.7 | -58.8 | -159 | 83.1 | 0 | 0 | 112.7 | I345 F348 L373 L449 E450 K451 A456 C457 L499 | I345-M453 HydrophobicContact CG2-CG 3.65Å; F348-M453 HydrophobicContact CB-CE 4.1Å; F348-M453 HydrophobicContact CD1-CE 3.37Å; F348-M453 HydrophobicContact CD2-CE 3.71Å; F348-M453 HydrophobicContact CE1-CE 3.56Å; F348-M453 HydrophobicContact CE2-CE 3.9Å; F348-M453 HydrophobicContact CG-CE 3.44Å; F348-M453 VanDerWaalsContact CG-CE 3.44Å; F348-M453 HydrophobicContact CZ-CE 3.83Å; L373-M453 HydrophobicContact CB-CE 4.45Å; L373-M453 HydrophobicContact CD1-CE 3.47Å; L373-M453 VanDerWaalsContact CD1-CE 3.47Å; L373-M453 HydrophobicContact CD1-SD 3.61Å; L449-M453 HydrophobicContact CD1-CG 4.37Å; L449-M453 WeakPolarHBondContact O-CG 3.25Å; L449-M453 PolarHBondContact O-N 3.22Å; E450-M453 PolarHBondContact O-N 3.29Å; K451-M453 VanDerWaalsContact C-N 3.29Å; K451-M453 PolarHBondContact O-N 3.43Å; M453-A456 PolarHBondContact O-N 2.94Å; M453-C457 WeakPolarHBondContact O-CB 3.06Å; M453-C457 PolarHBondContact O-N 2.98Å; M453-C457 PolarHBondContact O-SG 3.07Å; M453-L499 HydrophobicContact CB-CD2 4.06Å |
| 454 | H | 93.5 | Very high | 85.7 | Confident | 33 Ų | 33 | 23 Ų | 23 | 15% | 0.153 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.7 | -50.7 | 168.9 | 157.6 | -89 | 0 | 0 | 0 | 110.9 | E245 E450 K451 A456 C457 R458 L499 | E245-H454 IonicContact OE1-CE1 4Å; E245-H454 PolarHBondContact OE1-CE1 2.74Å; E245-H454 IonicContact OE2-CE1 3.25Å; E245-H454 PolarHBondContact OE2-CE1 2.75Å; E450-H454 WeakPolarHBondContact O-CB 3.49Å; E450-H454 PolarHBondContact O-N 2.96Å; K451-H454 WeakPolarHBondContact O-CB 3.23Å; K451-H454 PolarHBondContact O-N 3.01Å; H454-A456 VanDerWaalsContact C-N 3.32Å; H454-A456 PolarHBondContact O-N 2.89Å; H454-C457 CarbonylContact O-C 3.59Å; H454-C457 PolarHBondContact O-N 2.85Å; H454-R458 WeakPolarHBondContact CE1-CD 3.47Å; H454-R458 PolarHBondContact NE2-NH1 3.2Å; H454-R458 WeakPolarHBondContact O-CB 3.41Å; H454-R458 PolarHBondContact O-N 3Å; H454-L499 WeakPolarHBondContact CB-O 3.48Å; H454-L499 PolarHBondContact CD2-O 2.81Å; H454-L499 VanDerWaalsContact CD2-O 3.31Å |
| 455 | M | 95.2 | Very high | 87.8 | Confident | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.02 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.2 | -44.3 | 176.5 | -71.3 | -176.7 | 79.5 | 0 | 0 | 111.4 | R238 C241 L320 C321 R324 K451 C457 R458 | R238-M455 HydrophobicContact CG-SD 4.17Å; C241-M455 HydrophobicContact CB-CE 3.85Å; C241-M455 HydrophobicContact CB-SD 4.35Å; L320-M455 HydrophobicContact CB-CE 4.39Å; C321-M455 HydrophobicContact CB-CB 4.42Å; C321-M455 VanDerWaalsContact CB-O 3.29Å; C321-M455 WeakPolarHBondContact CB-O 3.13Å; R324-M455 HydrophobicContact CB-CE 3.79Å; R324-M455 HydrophobicContact CG-CB 4.3Å; R324-M455 HydrophobicContact CG-CE 4.29Å; R324-M455 HydrophobicContact CG-SD 4.4Å; K451-M455 WeakPolarHBondContact O-CG 3.23Å; K451-M455 PolarHBondContact O-N 3.35Å; M455-C457 VanDerWaalsContact C-N 3.34Å; M455-C457 PolarHBondContact O-N 3.02Å; M455-R458 PolarHBondContact O-N 3.12Å |
| 456 | A | 95.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.2 | -34.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | F325 I345 F348 V349 L352 D452 M453 H454 | F325-A456 HydrophobicContact CD2-CB 4.46Å; I345-A456 HydrophobicContact CD1-CB 4.33Å; F348-A456 HydrophobicContact CE1-CB 4.28Å; V349-A456 HydrophobicContact CG2-CB 3.96Å; L352-A456 HydrophobicContact CD1-CB 4.45Å; D452-A456 WeakPolarHBondContact O-CB 3.35Å; D452-A456 PolarHBondContact O-N 3.25Å; M453-A456 PolarHBondContact O-N 2.94Å; H454-A456 VanDerWaalsContact C-N 3.32Å; H454-A456 PolarHBondContact O-N 2.89Å |
| 457 | C | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -85.3 | -15.1 | 179.1 | -63 | 0 | 0 | 0 | 0 | 114 | M453 H454 M455 V463 | M453-C457 WeakPolarHBondContact O-CB 3.06Å; M453-C457 PolarHBondContact O-N 2.98Å; M453-C457 PolarHBondContact O-SG 3.07Å; H454-C457 CarbonylContact O-C 3.59Å; H454-C457 PolarHBondContact O-N 2.85Å; M455-C457 VanDerWaalsContact C-N 3.34Å; M455-C457 PolarHBondContact O-N 3.02Å; C457-V463 VanDerWaalsContact O-CG2 3.3Å; C457-V463 WeakPolarHBondContact O-CG2 3.26Å |
| 458 | R | 94.1 | Very high | 92.6 | Very high | 7 Ų | 7 | 11.5 Ų | 11.5 | 3% | 0.026 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -90.1 | -12.7 | -177.8 | -175.9 | 169.2 | 177.9 | 108.3 | 1.5 | 113.5 | E245 S317 C321 H454 M455 G500 L501 D504 | E245-R458 IonicContact OE1-CZ 2.73Å; E245-R458 IonicContact OE1-NE 3.79Å; E245-R458 IonicContact OE1-NH2 2.75Å; S317-R458 PolarHBondContact OG-NE 3.35Å; S317-R458 PolarHBondContact OG-NH2 3.08Å; C321-R458 HydrophobicContact CB-CB 4.19Å; C321-R458 HydrophobicContact CB-CG 4.34Å; C321-R458 VanDerWaalsContact SG-CD 3.53Å; H454-R458 WeakPolarHBondContact CE1-CD 3.47Å; H454-R458 PolarHBondContact NE2-NH1 3.2Å; H454-R458 WeakPolarHBondContact O-CB 3.41Å; H454-R458 PolarHBondContact O-N 3Å; M455-R458 PolarHBondContact O-N 3.12Å; R458-G500 WeakPolarHBondContact CB-O 3.48Å; R458-L501 HydrophobicContact CG-CD2 4.26Å; R458-D504 IonicContact CZ-OD1 3.21Å; R458-D504 VanDerWaalsContact CZ-OD1 3.27Å; R458-D504 IonicContact CZ-OD2 3.43Å; R458-D504 IonicContact NH1-OD1 2.85Å; R458-D504 PolarHBondContact NH1-OD1 3.2Å; R458-D504 IonicContact NH1-OD2 3.23Å; R458-D504 PolarHBondContact NH1-OD2 2.96Å; R458-D504 VanDerWaalsContact NH2-CG 3.32Å; R458-D504 IonicContact NH2-OD1 2.78Å; R458-D504 PolarHBondContact NH2-OD1 2.84Å; R458-D504 IonicContact NH2-OD2 3.29Å; R458-D504 PolarHBondContact NH2-OD2 2.93Å |
| 459 | D | 92.7 | Very high | 93.1 | Very high | 4 Ų | 4 | 9.6 Ų | 9.6 | 2% | 0.021 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -53.3 | 131.8 | 171.8 | 167.8 | -90.4 | 0 | 0 | 0 | 111.5 | T322 W461 V462 V463 | T322-D459 WeakPolarHBondContact CA-OD2 3.24Å; T322-D459 WeakPolarHBondContact CG2-OD2 3.5Å; T322-D459 PolarHBondContact OG1-OD2 2.9Å; D459-W461 VanDerWaalsContact C-N 3.27Å; D459-W461 PolarHBondContact O-N 3.2Å; D459-W461 VanDerWaalsContact OD1-CA 3.27Å; D459-W461 WeakPolarHBondContact OD1-CA 3.24Å; D459-W461 WeakPolarHBondContact OD1-CB 3.37Å; D459-W461 PolarHBondContact OD1-N 3.15Å; D459-V462 HydrophobicContact CB-CB 4.17Å; D459-V462 HydrophobicContact CB-CG2 4.08Å; D459-V462 PolarHBondContact O-N 3.47Å; D459-V462 PolarHBondContact OD1-N 3.39Å; D459-V463 WeakPolarHBondContact O-CG2 3.47Å; D459-V463 PolarHBondContact O-N 2.82Å |
| 460 | P | 90.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 9.4 Ų | 9.4 | 1% | 0.006 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -57.2 | -32.3 | -177.3 | -27.2 | 35.2 | 0 | 0 | 0 | 115.4 | W177 Y464 E762 | W177-P460 HydrophobicContact CZ2-CG 4.43Å; P460-Y464 VanDerWaalsContact O-CB 3.31Å; P460-Y464 WeakPolarHBondContact O-CB 3.45Å; P460-Y464 PolarHBondContact O-N 3.45Å; P460-E762 HydrophobicContact CB-CG 4.3Å |
| 461 | W | 88.7 | Confident | 93.9 | Very high | 9 Ų | 9 | 6.9 Ų | 6.9 | 3% | 0.034 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -76 | -39.7 | 178.5 | -107.4 | 112.1 | 0 | 0 | 0 | 112 | L203 Y204 P206 V356 R359 D459 Y464 T465 | L203-W461 HydrophobicContact CB-CZ2 4.1Å; L203-W461 VanDerWaalsContact O-CZ2 3.27Å; L203-W461 WeakPolarHBondContact O-CZ2 3.45Å; L203-W461 PolarHBondContact O-NE1 2.88Å; Y204-W461 PolarHBondContact O-NE1 3.39Å; P206-W461 HydrophobicContact CG-CG 4.23Å; V356-W461 HydrophobicContact CG1-CB 4.09Å; V356-W461 HydrophobicContact CG1-CD2 3.93Å; V356-W461 HydrophobicContact CG1-CE3 3.67Å; V356-W461 HydrophobicContact CG1-CG 4.17Å; V356-W461 HydrophobicContact CG1-CZ3 4.3Å; R359-W461 HydrophobicContact CG-CZ3 4.28Å; D459-W461 VanDerWaalsContact C-N 3.27Å; D459-W461 PolarHBondContact O-N 3.2Å; D459-W461 VanDerWaalsContact OD1-CA 3.27Å; D459-W461 WeakPolarHBondContact OD1-CA 3.24Å; D459-W461 WeakPolarHBondContact OD1-CB 3.37Å; D459-W461 PolarHBondContact OD1-N 3.15Å; W461-Y464 HydrophobicContact CE3-CD1 4.03Å; W461-Y464 HydrophobicContact CZ3-CD1 4.07Å; W461-Y464 HydrophobicContact CZ3-CE1 4.3Å; W461-Y464 PolarHBondContact O-N 3.42Å; W461-T465 VanDerWaalsContact O-CB 3.27Å; W461-T465 WeakPolarHBondContact O-CB 3.28Å; W461-T465 PolarHBondContact O-N 3.45Å; W461-T465 PolarHBondContact O-OG1 3.46Å |
| 462 | V | 93.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 6.2 Ų | 6.2 | 1% | 0.012 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -63.8 | -47.1 | 172.9 | 174 | 0 | 0 | 0 | 0 | 109.9 | F325 L352 V356 D459 Y464 T465 I466 | F325-V462 HydrophobicContact CD2-CG2 4.05Å; F325-V462 HydrophobicContact CE2-CG2 3.55Å; F325-V462 HydrophobicContact CZ-CG2 4.18Å; L352-V462 HydrophobicContact CD1-CG1 4.19Å; L352-V462 HydrophobicContact CD1-CG2 4.41Å; L352-V462 HydrophobicContact CD2-CG1 4.16Å; V356-V462 HydrophobicContact CG2-CG2 3.96Å; D459-V462 HydrophobicContact CB-CB 4.17Å; D459-V462 HydrophobicContact CB-CG2 4.08Å; D459-V462 PolarHBondContact O-N 3.47Å; D459-V462 PolarHBondContact OD1-N 3.39Å; V462-Y464 PolarHBondContact O-N 2.9Å; V462-T465 PolarHBondContact O-N 3.03Å; V462-I466 HydrophobicContact CG1-CD1 3.68Å; V462-I466 HydrophobicContact CG1-CG1 4.37Å; V462-I466 WeakPolarHBondContact O-CB 3.49Å; V462-I466 VanDerWaalsContact O-CG1 3.28Å; V462-I466 WeakPolarHBondContact O-CG1 3.3Å; V462-I466 PolarHBondContact O-N 2.88Å |
| 463 | V | 94.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -57.4 | -47.3 | 174.5 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | C457 D459 T465 I466 C467 L497 L501 L682 Y686 | C457-V463 VanDerWaalsContact O-CG2 3.3Å; C457-V463 WeakPolarHBondContact O-CG2 3.26Å; D459-V463 WeakPolarHBondContact O-CG2 3.47Å; D459-V463 PolarHBondContact O-N 2.82Å; V463-T465 PolarHBondContact O-N 3.48Å; V463-I466 PolarHBondContact O-N 3.36Å; V463-C467 WeakPolarHBondContact O-CB 3.44Å; V463-C467 PolarHBondContact O-N 2.92Å; V463-C467 PolarHBondContact O-SG 2.9Å; V463-L497 HydrophobicContact CG1-CD1 4Å; V463-L501 HydrophobicContact CG1-CD1 3.77Å; V463-L501 HydrophobicContact CG2-CD1 3.84Å; V463-L501 HydrophobicContact CG2-CG 4.31Å; V463-L682 HydrophobicContact CG1-CD2 4.2Å; V463-Y686 HydrophobicContact CG1-CD2 4.33Å; V463-Y686 HydrophobicContact CG1-CE2 3.45Å; V463-Y686 VanDerWaalsContact CG1-CE2 3.45Å |
| 464 | Y | 93.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 0% | 0.004 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 175.9 | 174.2 | -119.5 | 0 | 0 | 0 | 112.6 | P460 W461 V462 I466 C467 T468 Y686 L689 E693 | P460-Y464 VanDerWaalsContact O-CB 3.31Å; P460-Y464 WeakPolarHBondContact O-CB 3.45Å; P460-Y464 PolarHBondContact O-N 3.45Å; W461-Y464 HydrophobicContact CE3-CD1 4.03Å; W461-Y464 HydrophobicContact CZ3-CD1 4.07Å; W461-Y464 HydrophobicContact CZ3-CE1 4.3Å; W461-Y464 PolarHBondContact O-N 3.42Å; V462-Y464 PolarHBondContact O-N 2.9Å; Y464-I466 PolarHBondContact O-N 2.88Å; Y464-C467 PolarHBondContact O-N 3.44Å; Y464-T468 HydrophobicContact CD2-CG2 3.71Å; Y464-T468 HydrophobicContact CE1-CG2 4.4Å; Y464-T468 HydrophobicContact CE2-CG2 3.24Å; Y464-T468 HydrophobicContact CG-CG2 4.48Å; Y464-T468 WeakPolarHBondContact O-CB 3.47Å; Y464-T468 WeakPolarHBondContact O-CG2 3.41Å; Y464-T468 PolarHBondContact O-N 2.81Å; Y464-T468 PolarHBondContact O-OG1 3.13Å; Y464-Y686 AromaticContact CD2-CD1 3.53Å; Y464-Y686 HydrophobicContact CD2-CD1 3.53Å; Y464-Y686 HydrophobicContact CD2-CE1 4.2Å; Y464-Y686 HydrophobicContact CD2-CG 4.19Å; Y464-Y686 HydrophobicContact CE2-CD1 4.44Å; Y464-Y686 HydrophobicContact CG-CD1 4.26Å; Y464-L689 HydrophobicContact CD2-CD2 4.1Å; Y464-L689 HydrophobicContact CE2-CB 4.27Å; Y464-L689 HydrophobicContact CE2-CD2 3.65Å; Y464-L689 HydrophobicContact CE2-CG 3.95Å; Y464-E693 VanDerWaalsContact OH-CD 3.25Å; Y464-E693 PolarHBondContact OH-OE2 3.49Å |
| 465 | T | 94.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 7.2 Ų | 7.2 | 2% | 0.018 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -65.7 | -39.1 | 180 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | C355 V356 I361 W461 V462 V463 T468 S469 | C355-T465 HydrophobicContact CB-CG2 4.17Å; V356-T465 HydrophobicContact CG2-CG2 4.44Å; I361-T465 HydrophobicContact CD1-CG2 4.45Å; I361-T465 HydrophobicContact CG1-CG2 4.04Å; W461-T465 VanDerWaalsContact O-CB 3.27Å; W461-T465 WeakPolarHBondContact O-CB 3.28Å; W461-T465 PolarHBondContact O-N 3.45Å; W461-T465 PolarHBondContact O-OG1 3.46Å; V462-T465 PolarHBondContact O-N 3.03Å; V463-T465 PolarHBondContact O-N 3.48Å; T465-T468 PolarHBondContact O-OG1 2.72Å; T465-S469 WeakPolarHBondContact O-CB 3.41Å; T465-S469 PolarHBondContact O-N 3.36Å; T465-S469 PolarHBondContact O-OG 3.27Å |
| 466 | I | 96 | Very high | 94.1 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66.2 | -50.4 | 173.2 | -67 | 163.8 | 0 | 0 | 0 | 110.5 | I361 V462 V463 Y464 T468 S469 L470 L493 L496 L497 | I361-I466 HydrophobicContact CD1-CB 4.43Å; I361-I466 HydrophobicContact CD1-CG1 3.75Å; V462-I466 HydrophobicContact CG1-CD1 3.68Å; V462-I466 HydrophobicContact CG1-CG1 4.37Å; V462-I466 WeakPolarHBondContact O-CB 3.49Å; V462-I466 VanDerWaalsContact O-CG1 3.28Å; V462-I466 WeakPolarHBondContact O-CG1 3.3Å; V462-I466 PolarHBondContact O-N 2.88Å; V463-I466 PolarHBondContact O-N 3.36Å; Y464-I466 PolarHBondContact O-N 2.88Å; I466-T468 PolarHBondContact O-N 2.94Å; I466-S469 PolarHBondContact O-N 2.93Å; I466-L470 HydrophobicContact CG2-CD1 3.99Å; I466-L470 HydrophobicContact CG2-CG 4.42Å; I466-L470 WeakPolarHBondContact O-CG 3.4Å; I466-L470 PolarHBondContact O-N 2.87Å; I466-L493 HydrophobicContact CG2-CB 4.05Å; I466-L493 HydrophobicContact CG2-CG 4.27Å; I466-L493 WeakPolarHBondContact CG2-O 3.29Å; I466-L496 HydrophobicContact CD1-CB 3.8Å; I466-L497 HydrophobicContact CG2-CB 4Å; I466-L497 HydrophobicContact CG2-CD1 4.48Å |
| 467 | C | 95.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | -178 | -67.2 | 0 | 0 | 0 | 0 | 112.3 | V463 Y464 L470 I471 I683 Y686 | V463-C467 WeakPolarHBondContact O-CB 3.44Å; V463-C467 PolarHBondContact O-N 2.92Å; V463-C467 PolarHBondContact O-SG 2.9Å; Y464-C467 PolarHBondContact O-N 3.44Å; C467-L470 PolarHBondContact O-N 3.13Å; C467-I471 WeakPolarHBondContact O-CD1 3.48Å; C467-I471 WeakPolarHBondContact O-CG1 3.27Å; C467-I471 PolarHBondContact O-N 3Å; C467-I471 VanDerWaalsContact O-N 3.12Å; C467-I683 HydrophobicContact CB-CD1 4.17Å; C467-Y686 HydrophobicContact CB-CD2 4Å; C467-Y686 HydrophobicContact CB-CG 4.17Å |
| 468 | T | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -69.8 | -33 | 176.1 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | Y464 T465 I466 I471 R472 F690 | Y464-T468 HydrophobicContact CD2-CG2 3.71Å; Y464-T468 HydrophobicContact CE1-CG2 4.4Å; Y464-T468 HydrophobicContact CE2-CG2 3.24Å; Y464-T468 HydrophobicContact CG-CG2 4.48Å; Y464-T468 WeakPolarHBondContact O-CB 3.47Å; Y464-T468 WeakPolarHBondContact O-CG2 3.41Å; Y464-T468 PolarHBondContact O-N 2.81Å; Y464-T468 PolarHBondContact O-OG1 3.13Å; T465-T468 PolarHBondContact O-OG1 2.72Å; I466-T468 PolarHBondContact O-N 2.94Å; T468-I471 PolarHBondContact O-N 3.12Å; T468-R472 VanDerWaalsContact C-NH1 3.33Å; T468-R472 WeakPolarHBondContact O-CG 3.33Å; T468-R472 PolarHBondContact O-N 3.32Å; T468-R472 PolarHBondContact O-NH1 3Å; T468-R472 PolarHBondContact OG1-NH1 3.49Å; T468-R472 VanDerWaalsContact OG1-NH1 3.14Å; T468-F690 HydrophobicContact CG2-CB 4.08Å; T468-F690 HydrophobicContact CG2-CD2 3.64Å; T468-F690 HydrophobicContact CG2-CE2 4.5Å; T468-F690 HydrophobicContact CG2-CG 4.22Å |
| 469 | S | 96.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.014 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -70.1 | -39.6 | 174.9 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | R360 I361 T465 I466 I471 R472 Y473 L493 | R360-S469 WeakPolarHBondContact CA-OG 3.46Å; I361-S469 PolarHBondContact N-OG 3.15Å; T465-S469 WeakPolarHBondContact O-CB 3.41Å; T465-S469 PolarHBondContact O-N 3.36Å; T465-S469 PolarHBondContact O-OG 3.27Å; I466-S469 PolarHBondContact O-N 2.93Å; S469-I471 VanDerWaalsContact C-N 3.34Å; S469-I471 PolarHBondContact O-N 3.26Å; S469-R472 PolarHBondContact O-N 3.08Å; S469-Y473 WeakPolarHBondContact O-CD2 3.38Å; S469-Y473 PolarHBondContact O-N 3.3Å; S469-L493 VanDerWaalsContact CB-CD2 3.47Å |
| 470 | L | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.2 | -47.3 | 170.7 | -76.3 | 168 | 0 | 0 | 0 | 111.3 | I466 C467 R472 Y473 V474 V490 L493 V494 L497 L556 L561 | I466-L470 HydrophobicContact CG2-CD1 3.99Å; I466-L470 HydrophobicContact CG2-CG 4.42Å; I466-L470 WeakPolarHBondContact O-CG 3.4Å; I466-L470 PolarHBondContact O-N 2.87Å; C467-L470 PolarHBondContact O-N 3.13Å; L470-R472 PolarHBondContact O-N 3.29Å; L470-Y473 PolarHBondContact O-N 3Å; L470-V474 WeakPolarHBondContact O-CG2 3.46Å; L470-V474 PolarHBondContact O-N 3.04Å; L470-V490 HydrophobicContact CD2-CB 4.4Å; L470-V490 HydrophobicContact CD2-CG1 4.04Å; L470-V490 HydrophobicContact CD2-CG2 4.46Å; L470-L493 HydrophobicContact CD1-CB 4.35Å; L470-L493 HydrophobicContact CD2-CB 3.49Å; L470-L493 VanDerWaalsContact CD2-CB 3.49Å; L470-L493 HydrophobicContact CD2-CD2 4.24Å; L470-L493 HydrophobicContact CG-CB 3.76Å; L470-L493 HydrophobicContact CG-CD2 4.06Å; L470-V494 HydrophobicContact CD2-CG2 4.24Å; L470-L497 HydrophobicContact CD1-CD2 4.07Å; L470-L556 HydrophobicContact CD1-CD2 4.16Å; L470-L561 HydrophobicContact CB-CD2 4.25Å; L470-L561 HydrophobicContact CD2-CD1 4.23Å |
| 471 | I | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 175.7 | -63.9 | 159.7 | 0 | 0 | 0 | 110.4 | C467 T468 S469 Y473 V474 L475 V564 H687 F690 | C467-I471 WeakPolarHBondContact O-CD1 3.48Å; C467-I471 WeakPolarHBondContact O-CG1 3.27Å; C467-I471 PolarHBondContact O-N 3Å; C467-I471 VanDerWaalsContact O-N 3.12Å; T468-I471 PolarHBondContact O-N 3.12Å; S469-I471 VanDerWaalsContact C-N 3.34Å; S469-I471 PolarHBondContact O-N 3.26Å; I471-Y473 PolarHBondContact O-N 2.95Å; I471-V474 PolarHBondContact O-N 3.4Å; I471-L475 HydrophobicContact CG2-CD1 3.79Å; I471-L475 HydrophobicContact CG2-CG 4.19Å; I471-L475 WeakPolarHBondContact O-CB 3.36Å; I471-L475 VanDerWaalsContact O-CG 3.27Å; I471-L475 WeakPolarHBondContact O-CG 3.33Å; I471-L475 PolarHBondContact O-N 2.88Å; I471-V564 HydrophobicContact CG1-CG1 4.37Å; I471-V564 HydrophobicContact CG2-CG1 4.18Å; I471-H687 HydrophobicContact CD1-CB 3.7Å; I471-F690 HydrophobicContact CB-CD1 4.5Å; I471-F690 HydrophobicContact CB-CE1 4.38Å; I471-F690 HydrophobicContact CG2-CD1 3.73Å; I471-F690 HydrophobicContact CG2-CE1 3.5Å; I471-F690 HydrophobicContact CG2-CZ 4.2Å |
| 472 | R | 95.1 | Very high | 93.1 | Very high | 59 Ų | 59 | 37.4 Ų | 37.4 | 22% | 0.223 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.5 | -41.5 | 176.1 | -70.8 | 178.9 | -162.4 | 102.1 | -8.8 | 113.3 | R359 T468 S469 L470 L475 S476 F690 | R359-R472 VanDerWaalsContact O-CZ 3.25Å; R359-R472 PolarHBondContact O-NH1 2.83Å; R359-R472 PolarHBondContact O-NH2 3.39Å; T468-R472 VanDerWaalsContact C-NH1 3.33Å; T468-R472 WeakPolarHBondContact O-CG 3.33Å; T468-R472 PolarHBondContact O-N 3.32Å; T468-R472 PolarHBondContact O-NH1 3Å; T468-R472 PolarHBondContact OG1-NH1 3.49Å; T468-R472 VanDerWaalsContact OG1-NH1 3.14Å; S469-R472 PolarHBondContact O-N 3.08Å; L470-R472 PolarHBondContact O-N 3.29Å; R472-L475 PolarHBondContact O-N 2.91Å; R472-S476 WeakPolarHBondContact O-CB 3.47Å; R472-S476 PolarHBondContact O-N 2.9Å; R472-S476 PolarHBondContact O-OG 3.37Å; R472-F690 HydrophobicContact CG-CE2 3.95Å; R472-F690 HydrophobicContact CG-CZ 3.74Å |
| 473 | Y | 95.5 | Very high | 92.9 | Very high | 34 Ų | 34 | 41.3 Ų | 41.3 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.4 | -39.7 | 175.9 | -80.8 | -68.6 | 0 | 0 | 0 | 112.3 | I361 D362 Q363 S469 L470 I471 S476 G477 I487 E489 V490 L493 | I361-Y473 VanDerWaalsContact O-CE2 3.24Å; I361-Y473 WeakPolarHBondContact O-CE2 3.44Å; I361-Y473 PolarHBondContact O-OH 2.81Å; D362-Y473 WeakPolarHBondContact CA-OH 3.06Å; Q363-Y473 PolarHBondContact N-OH 3.13Å; Q363-Y473 VanDerWaalsContact N-OH 3.07Å; S469-Y473 WeakPolarHBondContact O-CD2 3.38Å; S469-Y473 PolarHBondContact O-N 3.3Å; L470-Y473 PolarHBondContact O-N 3Å; I471-Y473 PolarHBondContact O-N 2.95Å; Y473-S476 PolarHBondContact O-N 3.17Å; Y473-G477 PolarHBondContact O-N 3.37Å; Y473-I487 HydrophobicContact CD1-CG2 4.03Å; Y473-E489 HydrophobicContact CD1-CB 4.22Å; Y473-E489 HydrophobicContact CD2-CB 4.3Å; Y473-E489 HydrophobicContact CE1-CB 3.79Å; Y473-E489 HydrophobicContact CE1-CG 3.84Å; Y473-E489 HydrophobicContact CE2-CB 3.9Å; Y473-E489 HydrophobicContact CE2-CG 4.49Å; Y473-E489 HydrophobicContact CG-CB 4.47Å; Y473-V490 HydrophobicContact CG-CG2 4.5Å; Y473-L493 HydrophobicContact CD2-CD2 4.07Å; Y473-L493 HydrophobicContact CE2-CD2 4.06Å |
| 474 | V | 94.5 | Very high | 92.6 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 174.3 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | L470 I471 G477 L478 P484 L561 V564 A565 | L470-V474 WeakPolarHBondContact O-CG2 3.46Å; L470-V474 PolarHBondContact O-N 3.04Å; I471-V474 PolarHBondContact O-N 3.4Å; V474-G477 PolarHBondContact O-N 3.17Å; V474-L478 PolarHBondContact O-N 2.76Å; V474-L478 VanDerWaalsContact O-N 3.11Å; V474-P484 HydrophobicContact CG1-CG 4.41Å; V474-P484 HydrophobicContact CG2-CB 4.18Å; V474-P484 HydrophobicContact CG2-CG 3.96Å; V474-L561 WeakPolarHBondContact CG1-O 3.5Å; V474-L561 HydrophobicContact CG2-CB 3.74Å; V474-L561 HydrophobicContact CG2-CD1 4.18Å; V474-L561 HydrophobicContact CG2-CD2 3.85Å; V474-L561 HydrophobicContact CG2-CG 4.11Å; V474-V564 HydrophobicContact CG1-CB 4.39Å; V474-V564 HydrophobicContact CG1-CG1 4.11Å; V474-A565 HydrophobicContact CG1-CB 3.6Å |
| 475 | L | 93.3 | Very high | 92.4 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 11% | 0.105 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.4 | -36.2 | 178.7 | -67.6 | 176.6 | 0 | 0 | 0 | 112.4 | I471 R472 Y479 Q568 F690 | I471-L475 HydrophobicContact CG2-CD1 3.79Å; I471-L475 HydrophobicContact CG2-CG 4.19Å; I471-L475 WeakPolarHBondContact O-CB 3.36Å; I471-L475 VanDerWaalsContact O-CG 3.27Å; I471-L475 WeakPolarHBondContact O-CG 3.33Å; I471-L475 PolarHBondContact O-N 2.88Å; R472-L475 PolarHBondContact O-N 2.91Å; L475-Y479 WeakPolarHBondContact O-CD2 3.34Å; L475-Q568 HydrophobicContact CD2-CB 3.63Å; L475-Q568 HydrophobicContact CD2-CG 3.47Å; L475-Q568 VanDerWaalsContact CD2-CG 3.47Å; L475-F690 HydrophobicContact CD1-CE1 3.91Å; L475-F690 HydrophobicContact CD1-CZ 4.44Å |
| 476 | S | 92.3 | Very high | 92.2 | Very high | 58 Ų | 58 | 52.7 Ų | 52.7 | 41% | 0.406 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -72 | -42.1 | 175.2 | -51.3 | 0 | 0 | 0 | 0 | 111.3 | R472 Y473 L478 Y479 E480 | R472-S476 WeakPolarHBondContact O-CB 3.47Å; R472-S476 PolarHBondContact O-N 2.9Å; R472-S476 PolarHBondContact O-OG 3.37Å; Y473-S476 PolarHBondContact O-N 3.17Å; S476-L478 PolarHBondContact O-N 3.36Å; S476-Y479 PolarHBondContact O-N 3.36Å; S476-E480 PolarHBondContact O-N 2.9Å |
| 477 | G | 90.3 | Very high | 92 | Very high | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.2 | -33.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y473 V474 Y479 E480 D481 K482 | Y473-G477 PolarHBondContact O-N 3.37Å; V474-G477 PolarHBondContact O-N 3.17Å; G477-Y479 VanDerWaalsContact C-N 3.29Å; G477-Y479 PolarHBondContact O-N 3.19Å; G477-E480 CarbonylContact O-C 3.52Å; G477-E480 PolarHBondContact O-N 3.42Å; G477-E480 VanDerWaalsContact O-N 3.11Å; G477-D481 PolarHBondContact O-N 3.12Å; G477-K482 CarbonylContact C-O 3.59Å; G477-K482 PolarHBondContact O-N 2.76Å |
| 478 | L | 90.3 | Very high | 91.8 | Very high | 66 Ų | 66 | 57.5 Ų | 57.5 | 35% | 0.346 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.7 | -30.3 | 171.3 | -86.3 | 177.2 | 0 | 0 | 0 | 114.2 | V474 S476 A565 Q568 V569 | V474-L478 PolarHBondContact O-N 2.76Å; V474-L478 VanDerWaalsContact O-N 3.11Å; S476-L478 PolarHBondContact O-N 3.36Å; L478-A565 HydrophobicContact CD1-CB 3.83Å; L478-A565 HydrophobicContact CD2-CB 4.07Å; L478-A565 HydrophobicContact CG-CB 3.97Å; L478-Q568 HydrophobicContact CD1-CB 4.28Å; L478-V569 HydrophobicContact CD1-CG2 4.24Å; L478-V569 HydrophobicContact CD2-CG2 4.24Å |
| 479 | Y | 87.8 | Confident | 91.8 | Very high | 161 Ų | 161 | 58.5 Ų | 58.5 | 63% | 0.631 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -85.5 | -11.1 | 174.9 | -64.7 | -67 | 0 | 0 | 0 | 112.9 | L475 S476 G477 P1143 | L475-Y479 WeakPolarHBondContact O-CD2 3.34Å; S476-Y479 PolarHBondContact O-N 3.36Å; G477-Y479 VanDerWaalsContact C-N 3.29Å; G477-Y479 PolarHBondContact O-N 3.19Å; Y479-P1143 HydrophobicContact CD1-CG 3.94Å; Y479-P1143 HydrophobicContact CE1-CG 3.5Å; Y479-P1143 VanDerWaalsContact CE1-CG 3.5Å |
| 480 | E | 89.3 | Confident | 91.7 | Very high | 113 Ų | 113 | 58.4 Ų | 58.4 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 9.7 | 179 | -62.7 | -176.5 | -174.5 | 0 | 0 | 112.9 | S476 G477 K482 | S476-E480 PolarHBondContact O-N 2.9Å; G477-E480 CarbonylContact O-C 3.52Å; G477-E480 PolarHBondContact O-N 3.42Å; G477-E480 VanDerWaalsContact O-N 3.11Å; E480-K482 HydrophobicContact CB-CD 3.99Å; E480-K482 HydrophobicContact CB-CG 4.29Å; E480-K482 PolarHBondContact O-N 3.23Å; E480-K482 WeakPolarHBondContact OE2-CD 3.45Å; E480-K482 WeakPolarHBondContact OE2-CE 3.45Å; E480-K482 IonicContact OE2-NZ 3.73Å; E480-K482 PolarHBondContact OE2-NZ 3.45Å |
| 481 | D | 88 | Confident | 91.5 | Very high | 157 Ų | 157 | 62.5 Ų | 62.5 | 84% | 0.84 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 29.3 | -173.8 | -74.1 | -44 | 0 | 0 | 0 | 115.2 | G477 | G477-D481 PolarHBondContact O-N 3.12Š|
| 482 | K | 89.9 | Confident | 91.4 | Very high | 104 Ų | 104 | 63.8 Ų | 63.8 | 45% | 0.452 | 31% | 0.309 | S | S | . | . | trans | -101.6 | 132.4 | 179.8 | -69.1 | 167.3 | -170.1 | 171.4 | 0 | 111.7 | G477 E480 I487 | G477-K482 CarbonylContact C-O 3.59Å; G477-K482 PolarHBondContact O-N 2.76Å; E480-K482 HydrophobicContact CB-CD 3.99Å; E480-K482 HydrophobicContact CB-CG 4.29Å; E480-K482 PolarHBondContact O-N 3.23Å; E480-K482 WeakPolarHBondContact OE2-CD 3.45Å; E480-K482 WeakPolarHBondContact OE2-CE 3.45Å; E480-K482 IonicContact OE2-NZ 3.73Å; E480-K482 PolarHBondContact OE2-NZ 3.45Å; K482-I487 HydrophobicContact CB-CG1 4.27Å | ||
| 483 | L | 88.5 | Confident | 91.5 | Very high | 83 Ų | 83 | 61 Ų | 61 | 44% | 0.435 | 30% | 0.299 | S | S | . | . | trans | -78.3 | 154.1 | 173.2 | -63.6 | 80.9 | 0 | 0 | 0 | 110.3 | R485 D486 | L483-R485 HydrophobicContact CB-CG 4.35Å; L483-R485 PolarHBondContact O-N 2.84Å; L483-D486 WeakPolarHBondContact CB-OD2 3.5Å; L483-D486 PolarHBondContact N-OD2 3.47Å; L483-D486 PolarHBondContact O-N 3.12Å | ||
| 484 | P | 88.7 | Confident | 91.5 | Very high | 11 Ų | 11 | 59.5 Ų | 59.5 | 7% | 0.071 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.7 | -177.7 | -26.6 | 35.9 | 0 | 0 | 0 | 115 | V474 V490 L561 P562 | V474-P484 HydrophobicContact CG1-CG 4.41Å; V474-P484 HydrophobicContact CG2-CB 4.18Å; V474-P484 HydrophobicContact CG2-CG 3.96Å; P484-V490 HydrophobicContact CB-CG1 4.47Å; P484-V490 WeakPolarHBondContact O-CB 3.28Å; P484-V490 VanDerWaalsContact O-CG1 3.28Å; P484-V490 WeakPolarHBondContact O-CG1 3.26Å; P484-L561 HydrophobicContact CB-CB 3.82Å; P484-L561 HydrophobicContact CB-CD1 4.12Å; P484-L561 HydrophobicContact CG-CB 3.93Å; P484-P562 HydrophobicContact CG-CG 4.42Å |
| 485 | R | 89.3 | Confident | 91.4 | Very high | 146 Ų | 146 | 63.7 Ų | 63.7 | 55% | 0.551 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -18.7 | 176.4 | 79.3 | -166.8 | 177.2 | -164.4 | -6.5 | 113.6 | L483 H491 I557 | L483-R485 HydrophobicContact CB-CG 4.35Å; L483-R485 PolarHBondContact O-N 2.84Å; R485-H491 PolarHBondContact O-NE2 3.49Å; R485-I557 HydrophobicContact CB-CG2 3.64Å |
| 486 | D | 90.5 | Very high | 91.5 | Very high | 86 Ų | 86 | 62.8 Ų | 62.8 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -95.5 | -4.5 | -175.1 | -50 | -43.4 | 0 | 0 | 0 | 111.3 | L483 | L483-D486 WeakPolarHBondContact CB-OD2 3.5Å; L483-D486 PolarHBondContact N-OD2 3.47Å; L483-D486 PolarHBondContact O-N 3.12Å |
| 487 | I | 91.6 | Very high | 91.7 | Very high | 15 Ų | 15 | 60.1 Ų | 60.1 | 8% | 0.077 | 29% | 0.289 | C | S | . | . | trans | -97.4 | 111 | 178.1 | -56.5 | 173.4 | 0 | 0 | 0 | 109 | Y473 K482 E489 V490 H491 | Y473-I487 HydrophobicContact CD1-CG2 4.03Å; K482-I487 HydrophobicContact CB-CG1 4.27Å; I487-E489 HydrophobicContact CG2-CB 4.19Å; I487-E489 WeakPolarHBondContact CG2-OE2 3.34Å; I487-E489 PolarHBondContact O-N 3.19Å; I487-V490 HydrophobicContact CB-CB 4.35Å; I487-V490 HydrophobicContact CB-CG2 3.88Å; I487-V490 HydrophobicContact CD1-CG2 4.42Å; I487-V490 HydrophobicContact CG2-CG2 3.91Å; I487-V490 WeakPolarHBondContact O-CB 3.34Å; I487-V490 PolarHBondContact O-N 2.85Å; I487-V490 VanDerWaalsContact O-N 3.17Å; I487-H491 PolarHBondContact O-CD2 2.98Å | ||
| 488 | P | 89.9 | Confident | 91.8 | Very high | 87 Ų | 87 | 62 Ų | 62 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -61.6 | -29.3 | -175.6 | 14.1 | -20.8 | 0 | 0 | 0 | 114 | V490 H491 L492 | P488-V490 VanDerWaalsContact C-N 3.3Å; P488-V490 PolarHBondContact O-N 3.32Å; P488-H491 PolarHBondContact O-N 2.9Å; P488-L492 PolarHBondContact O-N 3.3Å |
| 489 | E | 94.1 | Very high | 91.9 | Very high | 21 Ų | 21 | 60 Ų | 60 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.8 | -35.5 | -179.7 | -64.6 | 56.8 | -121.6 | 0 | 0 | 110.6 | Q363 A366 Y473 I487 H491 L492 L493 | Q363-E489 VanDerWaalsContact NE2-CD 3.33Å; Q363-E489 PolarHBondContact NE2-OE1 2.85Å; Q363-E489 VanDerWaalsContact OE1-CG 3.31Å; Q363-E489 PolarHBondContact OE1-OE1 3.3Å; Q363-E489 PolarHBondContact OE1-OE2 2.89Å; A366-E489 HydrophobicContact CB-CB 4.31Å; A366-E489 HydrophobicContact CB-CG 3.84Å; Y473-E489 HydrophobicContact CD1-CB 4.22Å; Y473-E489 HydrophobicContact CD2-CB 4.3Å; Y473-E489 HydrophobicContact CE1-CB 3.79Å; Y473-E489 HydrophobicContact CE1-CG 3.84Å; Y473-E489 HydrophobicContact CE2-CB 3.9Å; Y473-E489 HydrophobicContact CE2-CG 4.49Å; Y473-E489 HydrophobicContact CG-CB 4.47Å; I487-E489 HydrophobicContact CG2-CB 4.19Å; I487-E489 WeakPolarHBondContact CG2-OE2 3.34Å; I487-E489 PolarHBondContact O-N 3.19Å; E489-H491 VanDerWaalsContact C-N 3.33Å; E489-H491 PolarHBondContact O-N 3.43Å; E489-L492 PolarHBondContact O-N 3.36Å; E489-L493 VanDerWaalsContact O-CD1 3.25Å; E489-L493 WeakPolarHBondContact O-CD1 3.49Å; E489-L493 PolarHBondContact O-N 2.92Å |
| 490 | V | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 175.4 | 170.8 | 0 | 0 | 0 | 0 | 110.1 | L470 Y473 P484 I487 P488 L492 L493 V494 I557 L561 | L470-V490 HydrophobicContact CD2-CB 4.4Å; L470-V490 HydrophobicContact CD2-CG1 4.04Å; L470-V490 HydrophobicContact CD2-CG2 4.46Å; Y473-V490 HydrophobicContact CG-CG2 4.5Å; P484-V490 HydrophobicContact CB-CG1 4.47Å; P484-V490 WeakPolarHBondContact O-CB 3.28Å; P484-V490 VanDerWaalsContact O-CG1 3.28Å; P484-V490 WeakPolarHBondContact O-CG1 3.26Å; I487-V490 HydrophobicContact CB-CB 4.35Å; I487-V490 HydrophobicContact CB-CG2 3.88Å; I487-V490 HydrophobicContact CD1-CG2 4.42Å; I487-V490 HydrophobicContact CG2-CG2 3.91Å; I487-V490 WeakPolarHBondContact O-CB 3.34Å; I487-V490 PolarHBondContact O-N 2.85Å; I487-V490 VanDerWaalsContact O-N 3.17Å; P488-V490 VanDerWaalsContact C-N 3.3Å; P488-V490 PolarHBondContact O-N 3.32Å; V490-L492 VanDerWaalsContact C-N 3.34Å; V490-L492 PolarHBondContact O-N 3.11Å; V490-L493 PolarHBondContact O-N 2.76Å; V490-V494 HydrophobicContact CG1-CG2 3.98Å; V490-V494 VanDerWaalsContact O-CB 3.32Å; V490-V494 WeakPolarHBondContact O-CB 3.49Å; V490-V494 WeakPolarHBondContact O-CG2 3.39Å; V490-V494 PolarHBondContact O-N 3.02Å; V490-I557 HydrophobicContact CG1-CG1 4.41Å; V490-L561 HydrophobicContact CG1-CD1 3.38Å |
| 491 | H | 93 | Very high | 92.3 | Very high | 87 Ų | 87 | 47.1 Ų | 47.1 | 40% | 0.403 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 177 | -67.5 | -89.9 | 0 | 0 | 0 | 112.5 | R485 I487 P488 E489 H495 | R485-H491 PolarHBondContact O-NE2 3.49Å; I487-H491 PolarHBondContact O-CD2 2.98Å; P488-H491 PolarHBondContact O-N 2.9Å; E489-H491 VanDerWaalsContact C-N 3.33Å; E489-H491 PolarHBondContact O-N 3.43Å; H491-H495 WeakPolarHBondContact O-CB 3.36Å; H491-H495 PolarHBondContact O-N 3.01Å |
| 492 | L | 93.9 | Very high | 92 | Very high | 26 Ų | 26 | 40.1 Ų | 40.1 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -50.6 | 174.9 | 178.2 | 70.9 | 0 | 0 | 0 | 111.5 | A366 L369 A370 L373 P488 E489 V490 V494 H495 L496 | A366-L492 HydrophobicContact CB-CD2 3.88Å; A366-L492 WeakPolarHBondContact O-CD2 3.37Å; L369-L492 HydrophobicContact CB-CD2 4.35Å; A370-L492 HydrophobicContact CB-CD1 3.86Å; A370-L492 HydrophobicContact CB-CD2 3.95Å; L373-L492 HydrophobicContact CD2-CD1 4.48Å; P488-L492 PolarHBondContact O-N 3.3Å; E489-L492 PolarHBondContact O-N 3.36Å; V490-L492 VanDerWaalsContact C-N 3.34Å; V490-L492 PolarHBondContact O-N 3.11Å; L492-V494 VanDerWaalsContact C-N 3.3Å; L492-V494 PolarHBondContact O-N 3.15Å; L492-H495 WeakPolarHBondContact O-CA 3.47Å; L492-H495 WeakPolarHBondContact O-CB 3.37Å; L492-H495 PolarHBondContact O-N 3.17Å; L492-L496 HydrophobicContact CG-CD1 4.3Å; L492-L496 HydrophobicContact CG-CG 4.49Å; L492-L496 WeakPolarHBondContact O-CG 3.42Å; L492-L496 PolarHBondContact O-N 2.99Å |
| 493 | L | 96.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.1 | -34.6 | -177.8 | -88.9 | 64.7 | 0 | 0 | 0 | 111.6 | I361 I466 S469 L470 Y473 E489 V490 L496 L497 | I361-L493 HydrophobicContact CB-CD1 4.46Å; I361-L493 HydrophobicContact CB-CD2 4.43Å; I361-L493 HydrophobicContact CD1-CD1 4.26Å; I361-L493 HydrophobicContact CD1-CD2 4.04Å; I361-L493 HydrophobicContact CD1-CG 3.96Å; I361-L493 HydrophobicContact CG2-CD1 4.09Å; I466-L493 HydrophobicContact CG2-CB 4.05Å; I466-L493 HydrophobicContact CG2-CG 4.27Å; I466-L493 WeakPolarHBondContact CG2-O 3.29Å; S469-L493 VanDerWaalsContact CB-CD2 3.47Å; L470-L493 HydrophobicContact CD1-CB 4.35Å; L470-L493 HydrophobicContact CD2-CB 3.49Å; L470-L493 VanDerWaalsContact CD2-CB 3.49Å; L470-L493 HydrophobicContact CD2-CD2 4.24Å; L470-L493 HydrophobicContact CG-CB 3.76Å; L470-L493 HydrophobicContact CG-CD2 4.06Å; Y473-L493 HydrophobicContact CD2-CD2 4.07Å; Y473-L493 HydrophobicContact CE2-CD2 4.06Å; E489-L493 VanDerWaalsContact O-CD1 3.25Å; E489-L493 WeakPolarHBondContact O-CD1 3.49Å; E489-L493 PolarHBondContact O-N 2.92Å; V490-L493 PolarHBondContact O-N 2.76Å; L493-L496 PolarHBondContact O-N 2.89Å; L493-L497 WeakPolarHBondContact O-CB 3.26Å; L493-L497 PolarHBondContact O-N 3.32Å |
| 494 | V | 95.2 | Very high | 91.6 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.024 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 168.6 | 174.3 | 0 | 0 | 0 | 0 | 110.5 | L470 V490 L492 L497 V498 L556 I557 | L470-V494 HydrophobicContact CD2-CG2 4.24Å; V490-V494 HydrophobicContact CG1-CG2 3.98Å; V490-V494 VanDerWaalsContact O-CB 3.32Å; V490-V494 WeakPolarHBondContact O-CB 3.49Å; V490-V494 WeakPolarHBondContact O-CG2 3.39Å; V490-V494 PolarHBondContact O-N 3.02Å; L492-V494 VanDerWaalsContact C-N 3.3Å; L492-V494 PolarHBondContact O-N 3.15Å; V494-L497 PolarHBondContact O-N 3.4Å; V494-V498 HydrophobicContact CG1-CG2 4.47Å; V494-V498 WeakPolarHBondContact O-CB 3.25Å; V494-V498 WeakPolarHBondContact O-CG2 3.33Å; V494-V498 PolarHBondContact O-N 2.98Å; V494-L556 HydrophobicContact CB-CD2 4.49Å; V494-L556 HydrophobicContact CG2-CD2 3.46Å; V494-L556 VanDerWaalsContact CG2-CD2 3.46Å; V494-I557 HydrophobicContact CB-CD1 4.27Å; V494-I557 HydrophobicContact CB-CG1 4.45Å; V494-I557 HydrophobicContact CG1-CD1 4.08Å; V494-I557 HydrophobicContact CG1-CG1 4.31Å; V494-I557 HydrophobicContact CG2-CD1 3.9Å; V494-I557 HydrophobicContact CG2-CG1 3.6Å |
| 495 | H | 93.3 | Very high | 91.3 | Very high | 92 Ų | 92 | 35.4 Ų | 35.4 | 43% | 0.426 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 177.7 | 179 | 73.2 | 0 | 0 | 0 | 111.8 | H491 L492 L497 V498 L499 | H491-H495 WeakPolarHBondContact O-CB 3.36Å; H491-H495 PolarHBondContact O-N 3.01Å; L492-H495 WeakPolarHBondContact O-CA 3.47Å; L492-H495 WeakPolarHBondContact O-CB 3.37Å; L492-H495 PolarHBondContact O-N 3.17Å; H495-L497 PolarHBondContact O-N 2.89Å; H495-V498 PolarHBondContact O-N 2.97Å; H495-L499 VanDerWaalsContact O-CB 3.28Å; H495-L499 WeakPolarHBondContact O-CB 3.46Å; H495-L499 PolarHBondContact O-N 3.34Å |
| 496 | L | 95 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.3 | -40.7 | 177.1 | -65.7 | 179.3 | 0 | 0 | 0 | 112.3 | F348 L369 L373 I466 L492 L493 L499 G500 | F348-L496 HydrophobicContact CE2-CD2 4Å; F348-L496 HydrophobicContact CZ-CD2 3.79Å; L369-L496 HydrophobicContact CD1-CD1 4.2Å; L373-L496 HydrophobicContact CD2-CD2 4.23Å; I466-L496 HydrophobicContact CD1-CB 3.8Å; L492-L496 HydrophobicContact CG-CD1 4.3Å; L492-L496 HydrophobicContact CG-CG 4.49Å; L492-L496 WeakPolarHBondContact O-CG 3.42Å; L492-L496 PolarHBondContact O-N 2.99Å; L493-L496 PolarHBondContact O-N 2.89Å; L496-L499 PolarHBondContact O-N 3.17Å; L496-G500 PolarHBondContact O-N 3.06Å; L496-G500 VanDerWaalsContact O-N 3.13Å |
| 497 | L | 95.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.2 | -39.9 | 176.7 | -171 | 59.8 | 0 | 0 | 0 | 112.1 | V463 I466 L470 L493 V494 H495 L501 L556 I679 L682 I683 | V463-L497 HydrophobicContact CG1-CD1 4Å; I466-L497 HydrophobicContact CG2-CB 4Å; I466-L497 HydrophobicContact CG2-CD1 4.48Å; L470-L497 HydrophobicContact CD1-CD2 4.07Å; L493-L497 WeakPolarHBondContact O-CB 3.26Å; L493-L497 PolarHBondContact O-N 3.32Å; V494-L497 PolarHBondContact O-N 3.4Å; H495-L497 PolarHBondContact O-N 2.89Å; L497-L501 HydrophobicContact CD1-CD1 4.18Å; L497-L501 PolarHBondContact O-N 2.81Å; L497-L556 HydrophobicContact CD2-CD1 4.21Å; L497-I679 HydrophobicContact CD2-CD1 4.03Å; L497-I679 HydrophobicContact CD2-CG1 4.4Å; L497-I679 HydrophobicContact CG-CD1 4.28Å; L497-L682 HydrophobicContact CD1-CD2 4.16Å; L497-I683 HydrophobicContact CD2-CD1 4.14Å |
| 498 | V | 92.8 | Very high | 88.2 | Confident | 40 Ų | 40 | 29.7 Ų | 29.7 | 24% | 0.242 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -73.5 | -30.2 | 175.7 | 174.7 | 0 | 0 | 0 | 0 | 111.7 | V494 H495 G500 G502 P552 | V494-V498 HydrophobicContact CG1-CG2 4.47Å; V494-V498 WeakPolarHBondContact O-CB 3.25Å; V494-V498 WeakPolarHBondContact O-CG2 3.33Å; V494-V498 PolarHBondContact O-N 2.98Å; H495-V498 PolarHBondContact O-N 2.97Å; V498-G500 VanDerWaalsContact C-N 3.34Å; V498-G502 WeakPolarHBondContact O-CA 3.31Å; V498-G502 PolarHBondContact O-N 3.12Å; V498-P552 HydrophobicContact CG1-CG 4.03Å; V498-P552 HydrophobicContact CG2-CB 4.06Å; V498-P552 HydrophobicContact CG2-CG 3.86Å |
| 499 | L | 92.2 | Very high | 86.7 | Confident | 26 Ų | 26 | 28.4 Ų | 28.4 | 14% | 0.136 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.5 | -33.8 | 173.9 | -177.2 | 59.6 | 0 | 0 | 0 | 112.3 | L373 M453 H454 H495 L496 | L373-L499 HydrophobicContact CD1-CD2 4.43Å; M453-L499 HydrophobicContact CB-CD2 4.06Å; H454-L499 WeakPolarHBondContact CB-O 3.48Å; H454-L499 PolarHBondContact CD2-O 2.81Å; H454-L499 VanDerWaalsContact CD2-O 3.31Å; H495-L499 VanDerWaalsContact O-CB 3.28Å; H495-L499 WeakPolarHBondContact O-CB 3.46Å; H495-L499 PolarHBondContact O-N 3.34Å; L496-L499 PolarHBondContact O-N 3.17Å |
| 500 | G | 92.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -84.7 | -32.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R458 L496 V498 | R458-G500 WeakPolarHBondContact CB-O 3.48Å; L496-G500 PolarHBondContact O-N 3.06Å; L496-G500 VanDerWaalsContact O-N 3.13Å; V498-G500 VanDerWaalsContact C-N 3.34Å |
| 501 | L | 92.5 | Very high | 82.9 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -134.8 | 8.4 | -167.3 | -62.6 | 176 | 0 | 0 | 0 | 115.4 | A307 R458 V463 L497 D503 D504 L505 L682 | A307-L501 HydrophobicContact CB-CD2 4.42Å; R458-L501 HydrophobicContact CG-CD2 4.26Å; V463-L501 HydrophobicContact CG1-CD1 3.77Å; V463-L501 HydrophobicContact CG2-CD1 3.84Å; V463-L501 HydrophobicContact CG2-CG 4.31Å; L497-L501 HydrophobicContact CD1-CD1 4.18Å; L497-L501 PolarHBondContact O-N 2.81Å; L501-D503 PolarHBondContact O-N 2.65Å; L501-D504 WeakPolarHBondContact O-CB 3.48Å; L501-D504 PolarHBondContact O-N 2.71Å; L501-L505 VanDerWaalsContact O-CD1 3.26Å; L501-L505 WeakPolarHBondContact O-CD1 3.49Å; L501-L505 VanDerWaalsContact O-CG 3.28Å; L501-L505 WeakPolarHBondContact O-CG 3.26Å; L501-L682 HydrophobicContact CD1-CD2 3.46Å; L501-L682 VanDerWaalsContact CD1-CD2 3.46Å |
| 502 | G | 82.9 | Confident | 80.8 | Confident | 11 Ų | 11 | 30.1 Ų | 30.1 | 11% | 0.113 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -57.6 | -52.7 | -172 | 0 | 0 | 0 | 0 | 0 | 114.6 | V498 | V498-G502 WeakPolarHBondContact O-CA 3.31Å; V498-G502 PolarHBondContact O-N 3.12Å |
| 503 | D | 81.9 | Confident | 78.3 | Confident | 92 Ų | 92 | 31.1 Ų | 31.1 | 49% | 0.492 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -71.9 | -32.1 | -179 | -64.2 | -35.2 | 0 | 0 | 0 | 112.4 | L501 L505 I506 L511 | L501-D503 PolarHBondContact O-N 2.65Å; D503-L505 PolarHBondContact O-N 2.78Å; D503-I506 PolarHBondContact O-N 2.64Å; D503-I506 VanDerWaalsContact O-N 3.09Å; D503-I506 VanDerWaalsContact O-O 3.08Å; D503-L511 HydrophobicContact CB-CD1 3.86Å |
| 504 | D | 86.9 | Confident | 75.4 | Confident | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -61.4 | -12.4 | 179.8 | -103.4 | 48.4 | 0 | 0 | 0 | 114.4 | Y249 P305 L306 A307 R458 L501 | Y249-D504 PolarHBondContact OH-N 2.9Å; Y249-D504 PolarHBondContact OH-OD1 2.98Å; P305-D504 CarbonylContact C-O 3.6Å; L306-D504 HydrophobicContact CB-CB 4.15Å; L306-D504 VanDerWaalsContact CB-OD2 3.29Å; L306-D504 WeakPolarHBondContact CB-OD2 3.42Å; L306-D504 PolarHBondContact N-O 3.45Å; A307-D504 HydrophobicContact CB-CB 4.07Å; A307-D504 PolarHBondContact N-O 3.26Å; A307-D504 PolarHBondContact N-OD2 3.37Å; R458-D504 IonicContact CZ-OD1 3.21Å; R458-D504 VanDerWaalsContact CZ-OD1 3.27Å; R458-D504 IonicContact CZ-OD2 3.43Å; R458-D504 IonicContact NH1-OD1 2.85Å; R458-D504 PolarHBondContact NH1-OD1 3.2Å; R458-D504 IonicContact NH1-OD2 3.23Å; R458-D504 PolarHBondContact NH1-OD2 2.96Å; R458-D504 VanDerWaalsContact NH2-CG 3.32Å; R458-D504 IonicContact NH2-OD1 2.78Å; R458-D504 PolarHBondContact NH2-OD1 2.84Å; R458-D504 IonicContact NH2-OD2 3.29Å; R458-D504 PolarHBondContact NH2-OD2 2.93Å; L501-D504 WeakPolarHBondContact O-CB 3.48Å; L501-D504 PolarHBondContact O-N 2.71Å |
| 505 | L | 83.6 | Confident | 72.6 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -94.2 | -10.8 | -178.8 | -63.4 | 157 | 0 | 0 | 0 | 113.3 | Y303 A307 L501 D503 P552 P678 I679 | Y303-L505 VanDerWaalsContact OH-C 3.25Å; Y303-L505 PolarHBondContact OH-O 3.15Å; A307-L505 HydrophobicContact CB-CD2 3.95Å; A307-L505 HydrophobicContact CB-CG 4.41Å; L501-L505 VanDerWaalsContact O-CD1 3.26Å; L501-L505 WeakPolarHBondContact O-CD1 3.49Å; L501-L505 VanDerWaalsContact O-CG 3.28Å; L501-L505 WeakPolarHBondContact O-CG 3.26Å; D503-L505 PolarHBondContact O-N 2.78Å; L505-P552 HydrophobicContact CD1-CB 3.95Å; L505-P552 HydrophobicContact CD1-CG 4.43Å; L505-P678 HydrophobicContact CB-CB 4.48Å; L505-P678 HydrophobicContact CD2-CB 4.11Å; L505-I679 HydrophobicContact CD1-CB 4.23Å; L505-I679 HydrophobicContact CD1-CD1 3.88Å; L505-I679 HydrophobicContact CD1-CG1 4.45Å; L505-I679 HydrophobicContact CD2-CB 4.17Å; L505-I679 HydrophobicContact CD2-CD1 4.01Å |
| 506 | I | 76.2 | Confident | 69.7 | Low | 26 Ų | 26 | 42.8 Ų | 42.8 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -124.5 | 143.5 | -173.2 | -60.3 | -179.7 | 0 | 0 | 0 | 108.8 | Y303 D503 Y508 C510 L511 | Y303-I506 WeakPolarHBondContact OH-CA 3.16Å; Y303-I506 PolarHBondContact OH-N 3.45Å; Y303-I506 PolarHBondContact OH-O 3.04Å; D503-I506 PolarHBondContact O-N 2.64Å; D503-I506 VanDerWaalsContact O-N 3.09Å; D503-I506 VanDerWaalsContact O-O 3.08Å; I506-Y508 PolarHBondContact O-N 3.09Å; I506-C510 HydrophobicContact CG2-CB 4.01Å; I506-L511 HydrophobicContact CB-CD2 4.47Å; I506-L511 HydrophobicContact CG2-CD2 4.13Å; I506-L511 HydrophobicContact CG2-CG 4.37Å |
| 507 | P | 67 | Low | 66.9 | Low | 13 Ų | 13 | 49 Ų | 49 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | trans | -64.6 | 134.4 | 175.8 | -9 | 17.8 | 0 | 0 | 0 | 111.5 | Y303 S509 C510 L511 L753 | Y303-P507 HydrophobicContact CD2-CB 4.16Å; Y303-P507 HydrophobicContact CD2-CG 3.83Å; Y303-P507 HydrophobicContact CE1-CG 4.49Å; Y303-P507 HydrophobicContact CE2-CB 3.7Å; Y303-P507 HydrophobicContact CE2-CG 3.51Å; Y303-P507 HydrophobicContact CG-CG 4.47Å; P507-S509 PolarHBondContact O-N 3.33Å; P507-S509 VanDerWaalsContact O-N 3.14Å; P507-C510 WeakPolarHBondContact O-CA 3.49Å; P507-C510 VanDerWaalsContact O-CB 3.28Å; P507-C510 WeakPolarHBondContact O-CB 3.31Å; P507-C510 PolarHBondContact O-N 3.45Å; P507-L511 PolarHBondContact O-N 3.2Å; P507-L753 HydrophobicContact CB-CD1 4.43Å; P507-L753 HydrophobicContact CG-CD1 3.41Å; P507-L753 VanDerWaalsContact CG-CD1 3.41Å | ||
| 508 | Y | 62.2 | Low | 63.9 | Low | 87 Ų | 87 | 53.9 Ų | 53.9 | 34% | 0.341 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.6 | -30.3 | -176.5 | -166.4 | -110.7 | 0 | 0 | 0 | 114.1 | Y249 I506 C510 L511 Q512 | Y249-Y508 HydrophobicContact CD1-CD2 4.16Å; Y249-Y508 HydrophobicContact CD1-CG 4.09Å; Y249-Y508 AromaticContact CD2-CD2 3.87Å; Y249-Y508 HydrophobicContact CD2-CD2 3.87Å; Y249-Y508 HydrophobicContact CD2-CE2 4.3Å; Y249-Y508 HydrophobicContact CD2-CG 4.27Å; Y249-Y508 HydrophobicContact CE1-CD2 4.25Å; Y249-Y508 HydrophobicContact CE2-CD2 4.03Å; Y249-Y508 HydrophobicContact CE2-CE2 4.44Å; Y249-Y508 AromaticContact CG-CD2 3.95Å; Y249-Y508 HydrophobicContact CG-CD2 3.95Å; Y249-Y508 AromaticContact CG-CG 3.92Å; Y249-Y508 HydrophobicContact CG-CG 3.92Å; I506-Y508 PolarHBondContact O-N 3.09Å; Y508-C510 VanDerWaalsContact C-N 3.26Å; Y508-C510 PolarHBondContact O-N 3.4Å; Y508-L511 HydrophobicContact CD2-CD1 4.2Å; Y508-L511 WeakPolarHBondContact O-CB 3.43Å; Y508-L511 PolarHBondContact O-N 3.5Å; Y508-Q512 HydrophobicContact CD1-CG 4.34Å; Y508-Q512 VanDerWaalsContact CD1-NE2 3.31Å; Y508-Q512 HydrophobicContact CE1-CG 4.11Å; Y508-Q512 VanDerWaalsContact CE1-NE2 3.28Å; Y508-Q512 PolarHBondContact O-N 2.97Å; Y508-Q512 VanDerWaalsContact O-N 3.11Å |
| 509 | S | 58.7 | Low | 61.1 | Low | 61 Ų | 61 | 56 Ų | 56 | 43% | 0.427 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.1 | -30.7 | 172.3 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | P507 | P507-S509 PolarHBondContact O-N 3.33Å; P507-S509 VanDerWaalsContact O-N 3.14Å |
| 510 | C | 55.8 | Low | 58.5 | Low | 16 Ų | 16 | 61.4 Ų | 61.4 | 11% | 0.108 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -79.8 | -15.4 | 173.3 | -176.5 | 0 | 0 | 0 | 0 | 113 | I506 P507 Y508 S513 F751 | I506-C510 HydrophobicContact CG2-CB 4.01Å; P507-C510 WeakPolarHBondContact O-CA 3.49Å; P507-C510 VanDerWaalsContact O-CB 3.28Å; P507-C510 WeakPolarHBondContact O-CB 3.31Å; P507-C510 PolarHBondContact O-N 3.45Å; Y508-C510 VanDerWaalsContact C-N 3.26Å; Y508-C510 PolarHBondContact O-N 3.4Å; C510-S513 PolarHBondContact O-OG 3.47Å; C510-S513 VanDerWaalsContact O-OG 3.1Å; C510-F751 HydrophobicContact CB-CE2 4.31Å; C510-F751 HydrophobicContact CB-CZ 4.4Å; C510-F751 WeakPolarHBondContact SG-CE2 3.43Å |
| 511 | L | 53.4 | Low | 55.7 | Low | 27 Ų | 27 | 65.4 Ų | 65.4 | 14% | 0.141 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -84.1 | -40.9 | 173.8 | -60.9 | 175.9 | 0 | 0 | 0 | 110.7 | D503 I506 P507 Y508 S513 K514 T515 | D503-L511 HydrophobicContact CB-CD1 3.86Å; I506-L511 HydrophobicContact CB-CD2 4.47Å; I506-L511 HydrophobicContact CG2-CD2 4.13Å; I506-L511 HydrophobicContact CG2-CG 4.37Å; P507-L511 PolarHBondContact O-N 3.2Å; Y508-L511 HydrophobicContact CD2-CD1 4.2Å; Y508-L511 WeakPolarHBondContact O-CB 3.43Å; Y508-L511 PolarHBondContact O-N 3.5Å; L511-S513 VanDerWaalsContact C-N 3.32Å; L511-S513 PolarHBondContact O-N 2.95Å; L511-K514 PolarHBondContact O-N 3.35Å; L511-T515 PolarHBondContact O-N 2.98Å; L511-T515 PolarHBondContact O-OG1 2.83Å; L511-T515 VanDerWaalsContact O-OG1 3.12Å |
| 512 | Q | 48.3 | Very low | 52.7 | Low | 100 Ų | 100 | 74.1 Ų | 74.1 | 47% | 0.467 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.3 | -33.6 | 179.1 | -69.7 | -175.3 | 44.9 | 0 | 0 | 114.2 | Y508 T515 K516 | Y508-Q512 HydrophobicContact CD1-CG 4.34Å; Y508-Q512 VanDerWaalsContact CD1-NE2 3.31Å; Y508-Q512 HydrophobicContact CE1-CG 4.11Å; Y508-Q512 VanDerWaalsContact CE1-NE2 3.28Å; Y508-Q512 PolarHBondContact O-N 2.97Å; Y508-Q512 VanDerWaalsContact O-N 3.11Å; Q512-T515 PolarHBondContact O-N 2.99Å; Q512-K516 PolarHBondContact O-N 2.96Å |
| 513 | S | 42.2 | Very low | 50.1 | Low | 47 Ų | 47 | 84 Ų | 84 | 33% | 0.329 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.1 | -49.6 | 176.3 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | C510 L511 T515 K516 E517 | C510-S513 PolarHBondContact O-OG 3.47Å; C510-S513 VanDerWaalsContact O-OG 3.1Å; L511-S513 VanDerWaalsContact C-N 3.32Å; L511-S513 PolarHBondContact O-N 2.95Å; S513-T515 VanDerWaalsContact C-N 3.26Å; S513-T515 PolarHBondContact O-N 2.94Å; S513-K516 WeakPolarHBondContact O-CB 3.43Å; S513-K516 PolarHBondContact O-N 3.21Å; S513-E517 PolarHBondContact O-N 3.17Å |
| 514 | K | 35.7 | Very low | 47.6 | Very low | 90 Ų | 90 | 87.2 Ų | 87.2 | 39% | 0.391 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.4 | -38.1 | 174.2 | -67.7 | -180 | 176.6 | 177.6 | 0 | 112.2 | L511 N518 | L511-K514 PolarHBondContact O-N 3.35Å; K514-N518 WeakPolarHBondContact O-CB 3.44Å; K514-N518 PolarHBondContact O-N 3.17Å; K514-N518 PolarHBondContact O-ND2 3.22Å |
| 515 | T | 36.2 | Very low | 44.8 | Very low | 95 Ų | 95 | 92.6 Ų | 92.6 | 58% | 0.583 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.2 | -40.5 | 176 | -47.4 | 0 | 0 | 0 | 0 | 111.8 | L511 Q512 S513 S519 | L511-T515 PolarHBondContact O-N 2.98Å; L511-T515 PolarHBondContact O-OG1 2.83Å; L511-T515 VanDerWaalsContact O-OG1 3.12Å; Q512-T515 PolarHBondContact O-N 2.99Å; S513-T515 VanDerWaalsContact C-N 3.26Å; S513-T515 PolarHBondContact O-N 2.94Å; T515-S519 PolarHBondContact O-N 2.89Å |
| 516 | K | 33 | Very low | 42.2 | Very low | 157 Ų | 157 | 98.8 Ų | 98.8 | 68% | 0.683 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.3 | -44.9 | 175.6 | -108.2 | 178.9 | 177.5 | 176.3 | 0 | 112.2 | Q512 S513 S519 I520 | Q512-K516 PolarHBondContact O-N 2.96Å; S513-K516 WeakPolarHBondContact O-CB 3.43Å; S513-K516 PolarHBondContact O-N 3.21Å; K516-S519 PolarHBondContact O-N 2.9Å; K516-S519 PolarHBondContact O-OG 2.98Å; K516-I520 PolarHBondContact O-N 2.96Å |
| 517 | E | 34.6 | Very low | 39.8 | Very low | 129 Ų | 129 | 103.2 Ų | 103.2 | 60% | 0.603 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.5 | -43.6 | 177 | -68.2 | 175.7 | 152.2 | 0 | 0 | 112.2 | S513 S519 I520 S521 | S513-E517 PolarHBondContact O-N 3.17Å; E517-S519 VanDerWaalsContact C-N 3.3Å; E517-S519 PolarHBondContact O-N 3.48Å; E517-I520 PolarHBondContact O-N 3.39Å; E517-I520 VanDerWaalsContact O-N 3.15Å; E517-S521 PolarHBondContact O-N 2.97Å; E517-S521 PolarHBondContact O-OG 3.13Å; E517-S521 VanDerWaalsContact O-OG 3.07Å |
| 518 | N | 33.8 | Very low | 38 | Very low | 105 Ų | 105 | 109.2 Ų | 109.2 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.2 | -31.6 | 174.7 | -81.9 | -26.8 | 0 | 0 | 0 | 113.1 | K514 I520 S521 K522 | K514-N518 WeakPolarHBondContact O-CB 3.44Å; K514-N518 PolarHBondContact O-N 3.17Å; K514-N518 PolarHBondContact O-ND2 3.22Å; N518-I520 VanDerWaalsContact C-N 3.27Å; N518-I520 PolarHBondContact O-N 3.45Å; N518-S521 PolarHBondContact O-N 3.01Å; N518-K522 PolarHBondContact O-N 3.22Å |
| 519 | S | 32.6 | Very low | 36.3 | Very low | 84 Ų | 84 | 110.7 Ų | 110.7 | 59% | 0.587 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -70.4 | -22 | 175.2 | 74.9 | 0 | 0 | 0 | 0 | 113.7 | T515 K516 E517 | T515-S519 PolarHBondContact O-N 2.89Å; K516-S519 PolarHBondContact O-N 2.9Å; K516-S519 PolarHBondContact O-OG 2.98Å; E517-S519 VanDerWaalsContact C-N 3.3Å; E517-S519 PolarHBondContact O-N 3.48Å |
| 520 | I | 39.1 | Very low | 34.7 | Very low | 140 Ų | 140 | 113.8 Ų | 113.8 | 72% | 0.718 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -88.8 | -32.2 | 174.2 | -67 | 171.3 | 0 | 0 | 0 | 110.9 | K516 E517 N518 | K516-I520 PolarHBondContact O-N 2.96Å; E517-I520 PolarHBondContact O-N 3.39Å; E517-I520 VanDerWaalsContact O-N 3.15Å; N518-I520 VanDerWaalsContact C-N 3.27Å; N518-I520 PolarHBondContact O-N 3.45Å |
| 521 | S | 32.8 | Very low | 33.2 | Very low | 84 Ų | 84 | 118.5 Ų | 118.5 | 59% | 0.587 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -82.2 | -11.5 | -178.8 | -55.9 | 0 | 0 | 0 | 0 | 114.7 | E517 N518 R523 | E517-S521 PolarHBondContact O-N 2.97Å; E517-S521 PolarHBondContact O-OG 3.13Å; E517-S521 VanDerWaalsContact O-OG 3.07Å; N518-S521 PolarHBondContact O-N 3.01Å; S521-R523 VanDerWaalsContact C-N 3.28Å; S521-R523 PolarHBondContact O-N 3.46Å; S521-R523 VanDerWaalsContact O-N 3.16Å |
| 522 | K | 29.2 | Very low | 31.8 | Very low | 185 Ų | 185 | 122.5 Ų | 122.5 | 80% | 0.804 | 68% | 0.675 | S | S | * | * | trans | -86.8 | 52.5 | 174.8 | -82.5 | -167.3 | 171.9 | -172.5 | 0 | 113.9 | N518 | N518-K522 PolarHBondContact O-N 3.22Š| ||
| 523 | R | 29.4 | Very low | 30.7 | Very low | 219 Ų | 219 | 123.5 Ų | 123.5 | 83% | 0.826 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -133.8 | 131.7 | 156 | -72.1 | -177.1 | 174.6 | 146.5 | -1.5 | 108 | S521 | S521-R523 VanDerWaalsContact C-N 3.28Å; S521-R523 PolarHBondContact O-N 3.46Å; S521-R523 VanDerWaalsContact O-N 3.16Å |
| 524 | N | 28.4 | Very low | 29.8 | Very low | 160 Ų | 160 | 127.5 Ų | 127.5 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | S | Bend | trans | 77 | 78.1 | -173.8 | -49.1 | -19.2 | 0 | 0 | 0 | 116 | ||
| 525 | S | 28.1 | Very low | 29.5 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 74% | 0.737 | S | S | * | * | trans | -164.7 | 77.8 | 150.3 | 9.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 526 | T | 29.3 | Very low | 28.9 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -79.7 | 132.1 | 174.4 | -42.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 527 | T | 26.9 | Very low | 28.5 | Very low | 119 Ų | 119 | 128.5 Ų | 128.5 | 73% | 0.73 | 76% | 0.755 | S | S | * | * | trans | -12.2 | 123.6 | 170.8 | -47.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 528 | T | 29.1 | Very low | 28 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | trans | -146.9 | 126.8 | 141 | -31.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 529 | T | 25.1 | Very low | 27.7 | Very low | 118 Ų | 118 | 128.6 Ų | 128.6 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | -85.3 | 165.1 | 173.5 | 46.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 530 | V | 26.1 | Very low | 27.4 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | trans | 145.7 | 114.3 | 144.6 | 164.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 531 | T | 24.8 | Very low | 26.8 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 71% | 0.712 | 80% | 0.797 | S | S | * | * | trans | 44.4 | 117 | 152.8 | 63.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 532 | S | 23.9 | Very low | 26.4 | Very low | 110 Ų | 110 | 132.8 Ų | 132.8 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 22 | 122 | 131.2 | 60.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 533 | S | 24.2 | Very low | 26.3 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -161.9 | 164.8 | 133.5 | 32.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 534 | T | 23.4 | Very low | 26.3 | Very low | 131 Ų | 131 | 128.9 Ų | 128.9 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -64.7 | 144.5 | -172.6 | 45.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 535 | P | 29.1 | Very low | 26.3 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | trans | -87.2 | 136.8 | 166.9 | 34.3 | -31.6 | 0 | 0 | 0 | 112.5 | ||||
| 536 | S | 23.5 | Very low | 26.5 | Very low | 123 Ų | 123 | 126 Ų | 126 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -127.7 | 167.3 | 163.7 | 56.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 537 | S | 26.1 | Very low | 27.1 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -93.2 | 170.7 | -148 | 53 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 538 | S | 23.6 | Very low | 27.7 | Very low | 122 Ų | 122 | 120.2 Ų | 120.2 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | trans | 82.9 | 150 | 173.2 | 80.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 539 | S | 27.3 | Very low | 28.6 | Very low | 113 Ų | 113 | 115.7 Ų | 115.7 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | cis | -136.2 | 178.9 | 21.2 | 59.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 540 | L | 25.3 | Very low | 30.2 | Very low | 171 Ų | 171 | 113.2 Ų | 113.2 | 90% | 0.895 | 71% | 0.707 | S | S | * | * | trans | -81.1 | 143.4 | -179.8 | -89 | 60.4 | 0 | 0 | 0 | 113.4 | ||||
| 541 | S | 27.6 | Very low | 32.6 | Very low | 118 Ų | 118 | 109.1 Ų | 109.1 | 83% | 0.825 | 68% | 0.683 | S | S | * | * | trans | -158.8 | 143.9 | 131.1 | 58.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 542 | S | 24.2 | Very low | 35.5 | Very low | 107 Ų | 107 | 104.1 Ų | 104.1 | 75% | 0.748 | 65% | 0.653 | S | S | * | * | trans | -66.3 | 141.6 | -177.7 | 48.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 543 | D | 27.6 | Very low | 38.6 | Very low | 157 Ų | 157 | 100.6 Ų | 100.6 | 84% | 0.84 | 63% | 0.628 | S | S | * | * | -160.1 | 167.5 | 111.3 | -111.8 | -33.5 | 0 | 0 | 0 | 112.9 | D545 | D543-D545 PolarHBondContact O-N 3.19Š| |||
| 544 | I | 28.9 | Very low | 41.6 | Very low | 166 Ų | 166 | 100.8 Ų | 100.8 | 85% | 0.851 | 61% | 0.614 | S | S | * | * | trans | -93.7 | 98.4 | -164 | -55.7 | 169.3 | 0 | 0 | 0 | 112.1 | ||||
| 545 | D | 29 | Very low | 44.6 | Very low | 113 Ų | 113 | 94.6 Ų | 94.6 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | trans | -156.9 | 70.2 | 165.8 | -150.6 | 3.7 | 0 | 0 | 0 | 110.2 | D543 P547 K750 | D543-D545 PolarHBondContact O-N 3.19Å; D545-P547 VanDerWaalsContact O-CD 3.22Å; D545-P547 WeakPolarHBondContact O-CD 3.44Å; D545-K750 WeakPolarHBondContact OD1-CE 2.91Å; D545-K750 IonicContact OD1-NZ 3.12Å; D545-K750 PolarHBondContact OD1-NZ 3.49Å; D545-K750 IonicContact OD2-NZ 3.32Å; D545-K750 PolarHBondContact OD2-NZ 3.14Å | ||
| 546 | D | 31.2 | Very low | 47.6 | Very low | 102 Ų | 102 | 88.6 Ų | 88.6 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | trans | -70.5 | 109.7 | -169.1 | -172.2 | 38.1 | 0 | 0 | 0 | 112.8 | T548 | D546-T548 PolarHBondContact O-N 2.86Å; D546-T548 WeakPolarHBondContact OD1-CG2 3.33Å; D546-T548 WeakPolarHBondContact OD2-CB 3.3Å; D546-T548 VanDerWaalsContact OD2-CG2 3.24Å; D546-T548 WeakPolarHBondContact OD2-CG2 3.48Å; D546-T548 PolarHBondContact OD2-OG1 3.38Å | ||
| 547 | P | 43.2 | Very low | 50.9 | Low | 88 Ų | 88 | 83.7 Ų | 83.7 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -84.7 | 8.5 | -167.9 | 36 | -36.1 | 0 | 0 | 0 | 113.2 | D545 L549 S550 | D545-P547 VanDerWaalsContact O-CD 3.22Å; D545-P547 WeakPolarHBondContact O-CD 3.44Å; P547-L549 PolarHBondContact O-N 3.17Å; P547-S550 WeakPolarHBondContact O-CB 3.29Å; P547-S550 PolarHBondContact O-N 2.87Å; P547-S550 PolarHBondContact O-OG 3.37Å |
| 548 | T | 39.6 | Very low | 53.9 | Low | 43 Ų | 43 | 82 Ų | 82 | 26% | 0.264 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -59.3 | -38.9 | -168.2 | 48.3 | 0 | 0 | 0 | 0 | 114.3 | D546 S550 | D546-T548 PolarHBondContact O-N 2.86Å; D546-T548 WeakPolarHBondContact OD1-CG2 3.33Å; D546-T548 WeakPolarHBondContact OD2-CB 3.3Å; D546-T548 VanDerWaalsContact OD2-CG2 3.24Å; D546-T548 WeakPolarHBondContact OD2-CG2 3.48Å; D546-T548 PolarHBondContact OD2-OG1 3.38Å; T548-S550 VanDerWaalsContact C-N 3.28Å; T548-S550 PolarHBondContact O-N 3.12Å |
| 549 | L | 48 | Very low | 57 | Low | 45 Ų | 45 | 79.7 Ų | 79.7 | 24% | 0.236 | 47% | 0.465 | C | S | . | . | G | 310 helix | trans | -76.4 | -7.8 | -179.1 | -90.1 | 69.6 | 0 | 0 | 0 | 114.1 | P547 C551 T676 H677 N748 | P547-L549 PolarHBondContact O-N 3.17Å; L549-C551 VanDerWaalsContact C-N 3.29Å; L549-C551 PolarHBondContact O-N 3.25Å; L549-T676 WeakPolarHBondContact CD2-O 3.44Å; L549-H677 PolarHBondContact O-CD2 3.17Å; L549-H677 VanDerWaalsContact O-CD2 3.27Å; L549-N748 HydrophobicContact CD2-CB 4.2Å |
| 550 | S | 58.5 | Low | 60.1 | Low | 65 Ų | 65 | 74.3 Ų | 74.3 | 46% | 0.455 | 43% | 0.427 | S | S | . | . | G | 310 helix | trans | -80.4 | -3.1 | -177 | 71 | 0 | 0 | 0 | 0 | 115.1 | P547 T548 | P547-S550 WeakPolarHBondContact O-CB 3.29Å; P547-S550 PolarHBondContact O-N 2.87Å; P547-S550 PolarHBondContact O-OG 3.37Å; T548-S550 VanDerWaalsContact C-N 3.28Å; T548-S550 PolarHBondContact O-N 3.12Å |
| 551 | C | 76.4 | Confident | 63.4 | Low | 39 Ų | 39 | 66.2 Ų | 66.2 | 26% | 0.264 | 38% | 0.384 | S | S | . | . | trans | -132.9 | 113 | -169.3 | -170.7 | 0 | 0 | 0 | 0 | 111.4 | L549 S553 K554 A555 | L549-C551 VanDerWaalsContact C-N 3.29Å; L549-C551 PolarHBondContact O-N 3.25Å; C551-S553 VanDerWaalsContact C-N 3.29Å; C551-S553 PolarHBondContact O-N 3.19Å; C551-S553 PolarHBondContact SG-OG 2.94Å; C551-S553 VanDerWaalsContact SG-OG 3.33Å; C551-K554 HydrophobicContact CB-CB 4.32Å; C551-K554 HydrophobicContact CB-CD 4.28Å; C551-K554 HydrophobicContact CB-CG 4.27Å; C551-K554 PolarHBondContact O-N 3.47Å; C551-A555 PolarHBondContact O-N 3.34Å | ||
| 552 | P | 84.1 | Confident | 66.5 | Low | 12 Ų | 12 | 62.2 Ų | 62.2 | 8% | 0.078 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.1 | -34.5 | -172 | 20.1 | -31.8 | 0 | 0 | 0 | 113.7 | V498 L505 L556 | V498-P552 HydrophobicContact CG1-CG 4.03Å; V498-P552 HydrophobicContact CG2-CB 4.06Å; V498-P552 HydrophobicContact CG2-CG 3.86Å; L505-P552 HydrophobicContact CD1-CB 3.95Å; L505-P552 HydrophobicContact CD1-CG 4.43Å; P552-L556 VanDerWaalsContact O-CB 3.31Å; P552-L556 WeakPolarHBondContact O-CB 3.47Å; P552-L556 PolarHBondContact O-N 2.82Å |
| 553 | S | 89.3 | Confident | 69.8 | Low | 35 Ų | 35 | 57.1 Ų | 57.1 | 25% | 0.245 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 179.9 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | C551 L556 I557 | C551-S553 VanDerWaalsContact C-N 3.29Å; C551-S553 PolarHBondContact O-N 3.19Å; C551-S553 PolarHBondContact SG-OG 2.94Å; C551-S553 VanDerWaalsContact SG-OG 3.33Å; S553-L556 PolarHBondContact O-N 3.21Å; S553-I557 WeakPolarHBondContact O-CG1 3.5Å; S553-I557 PolarHBondContact O-N 3.33Å |
| 554 | K | 87.5 | Confident | 73 | Confident | 125 Ų | 125 | 49.6 Ų | 49.6 | 54% | 0.543 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 176.5 | -69.3 | -173 | 177.8 | -176.6 | 0 | 111.3 | C551 L556 I557 S558 | C551-K554 HydrophobicContact CB-CB 4.32Å; C551-K554 HydrophobicContact CB-CD 4.28Å; C551-K554 HydrophobicContact CB-CG 4.27Å; C551-K554 PolarHBondContact O-N 3.47Å; K554-L556 VanDerWaalsContact C-N 3.3Å; K554-L556 PolarHBondContact O-N 3.36Å; K554-I557 PolarHBondContact O-N 3.13Å; K554-S558 VanDerWaalsContact O-CB 3.24Å; K554-S558 WeakPolarHBondContact O-CB 3.47Å; K554-S558 PolarHBondContact O-N 3.12Å; K554-S558 PolarHBondContact O-OG 3.16Å |
| 555 | A | 87.3 | Confident | 76 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | C551 H559 I560 H677 | C551-A555 PolarHBondContact O-N 3.34Å; A555-H559 PolarHBondContact O-N 3.48Å; A555-H559 VanDerWaalsContact O-N 3.15Å; A555-I560 PolarHBondContact O-N 3.36Å; A555-I560 VanDerWaalsContact O-N 3.16Å; A555-H677 HydrophobicContact CB-CB 3.45Å; A555-H677 VanDerWaalsContact CB-CB 3.45Å |
| 556 | L | 91.3 | Very high | 79 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -67.2 | -48.5 | 179.5 | -163.8 | 125.7 | 0 | 0 | 0 | 112.2 | L470 V494 L497 P552 S553 K554 I560 L561 I679 I683 | L470-L556 HydrophobicContact CD1-CD2 4.16Å; V494-L556 HydrophobicContact CB-CD2 4.49Å; V494-L556 HydrophobicContact CG2-CD2 3.46Å; V494-L556 VanDerWaalsContact CG2-CD2 3.46Å; L497-L556 HydrophobicContact CD2-CD1 4.21Å; P552-L556 VanDerWaalsContact O-CB 3.31Å; P552-L556 WeakPolarHBondContact O-CB 3.47Å; P552-L556 PolarHBondContact O-N 2.82Å; S553-L556 PolarHBondContact O-N 3.21Å; K554-L556 VanDerWaalsContact C-N 3.3Å; K554-L556 PolarHBondContact O-N 3.36Å; L556-I560 PolarHBondContact O-N 3.36Å; L556-L561 HydrophobicContact CD2-CD1 3.6Å; L556-L561 HydrophobicContact CD2-CD2 4.01Å; L556-L561 HydrophobicContact CD2-CG 3.68Å; L556-L561 HydrophobicContact CG-CD1 4.49Å; L556-L561 HydrophobicContact CG-CD2 4.44Å; L556-L561 HydrophobicContact CG-CG 4.1Å; L556-L561 WeakPolarHBondContact O-CB 3.45Å; L556-L561 WeakPolarHBondContact O-CG 3.06Å; L556-L561 PolarHBondContact O-N 2.86Å; L556-I679 HydrophobicContact CB-CG2 4.32Å; L556-I679 HydrophobicContact CD1-CB 4.44Å; L556-I679 HydrophobicContact CD1-CG1 3.53Å; L556-I679 HydrophobicContact CD1-CG2 4.01Å; L556-I683 HydrophobicContact CD1-CD1 3.94Å; L556-I683 HydrophobicContact CD1-CG1 3.7Å |
| 557 | I | 92.2 | Very high | 82 | Confident | 21 Ų | 21 | 37 Ų | 37 | 11% | 0.108 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -71.1 | -42.2 | -178.2 | -63.2 | 168 | 0 | 0 | 0 | 112.1 | R485 V490 V494 S553 K554 P562 | R485-I557 HydrophobicContact CB-CG2 3.64Å; V490-I557 HydrophobicContact CG1-CG1 4.41Å; V494-I557 HydrophobicContact CB-CD1 4.27Å; V494-I557 HydrophobicContact CB-CG1 4.45Å; V494-I557 HydrophobicContact CG1-CD1 4.08Å; V494-I557 HydrophobicContact CG1-CG1 4.31Å; V494-I557 HydrophobicContact CG2-CD1 3.9Å; V494-I557 HydrophobicContact CG2-CG1 3.6Å; S553-I557 WeakPolarHBondContact O-CG1 3.5Å; S553-I557 PolarHBondContact O-N 3.33Å; K554-I557 PolarHBondContact O-N 3.13Å; I557-P562 VanDerWaalsContact O-CD 3.25Å; I557-P562 WeakPolarHBondContact O-CD 3.5Å |
| 558 | S | 89.6 | Confident | 84.3 | Confident | 74 Ų | 74 | 34.4 Ų | 34.4 | 52% | 0.517 | 19% | 0.192 | S | C | . | . | I | π-helix | trans | -85.4 | -23.2 | -172.2 | -61.1 | 0 | 0 | 0 | 0 | 114.9 | K554 | K554-S558 VanDerWaalsContact O-CB 3.24Å; K554-S558 WeakPolarHBondContact O-CB 3.47Å; K554-S558 PolarHBondContact O-N 3.12Å; K554-S558 PolarHBondContact O-OG 3.16Å |
| 559 | H | 89.6 | Confident | 86.7 | Confident | 75 Ų | 75 | 35.4 Ų | 35.4 | 35% | 0.347 | 20% | 0.198 | S | C | . | . | I | π-helix | trans | -131.6 | -48.8 | -172.5 | -55.6 | -56.5 | 0 | 0 | 0 | 113.9 | A555 A563 T676 | A555-H559 PolarHBondContact O-N 3.48Å; A555-H559 VanDerWaalsContact O-N 3.15Å; H559-A563 VanDerWaalsContact O-CB 3.25Å; H559-A563 WeakPolarHBondContact O-CB 3.26Å; H559-A563 PolarHBondContact O-N 3.38Å; H559-T676 HydrophobicContact CB-CG2 3.98Å; H559-T676 WeakPolarHBondContact CB-OG1 3.31Å |
| 560 | I | 91.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -77.5 | -45.5 | -170.5 | -61.4 | 158.9 | 0 | 0 | 0 | 111.7 | A555 L556 A563 V564 G673 Y674 H677 I679 I683 | A555-I560 PolarHBondContact O-N 3.36Å; A555-I560 VanDerWaalsContact O-N 3.16Å; L556-I560 PolarHBondContact O-N 3.36Å; I560-A563 CarbonylContact O-C 3.58Å; I560-A563 WeakPolarHBondContact O-CB 3.48Å; I560-A563 PolarHBondContact O-N 3.31Å; I560-A563 VanDerWaalsContact O-N 3.13Å; I560-V564 WeakPolarHBondContact O-CG2 3.37Å; I560-V564 PolarHBondContact O-N 3.48Å; I560-G673 WeakPolarHBondContact CG1-O 3.43Å; I560-Y674 HydrophobicContact CG2-CD1 4.39Å; I560-H677 HydrophobicContact CD1-CB 4.33Å; I560-I679 HydrophobicContact CD1-CG2 3.45Å; I560-I679 VanDerWaalsContact CD1-CG2 3.45Å; I560-I683 HydrophobicContact CG2-CB 4.31Å; I560-I683 HydrophobicContact CG2-CG1 4.4Å; I560-I683 HydrophobicContact CG2-CG2 4.33Å |
| 561 | L | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.5 | -41.2 | 175.7 | -65.8 | -177.2 | 0 | 0 | 0 | 112.2 | L470 V474 P484 V490 L556 A563 V564 A565 | L470-L561 HydrophobicContact CB-CD2 4.25Å; L470-L561 HydrophobicContact CD2-CD1 4.23Å; V474-L561 WeakPolarHBondContact CG1-O 3.5Å; V474-L561 HydrophobicContact CG2-CB 3.74Å; V474-L561 HydrophobicContact CG2-CD1 4.18Å; V474-L561 HydrophobicContact CG2-CD2 3.85Å; V474-L561 HydrophobicContact CG2-CG 4.11Å; P484-L561 HydrophobicContact CB-CB 3.82Å; P484-L561 HydrophobicContact CB-CD1 4.12Å; P484-L561 HydrophobicContact CG-CB 3.93Å; V490-L561 HydrophobicContact CG1-CD1 3.38Å; L556-L561 HydrophobicContact CD2-CD1 3.6Å; L556-L561 HydrophobicContact CD2-CD2 4.01Å; L556-L561 HydrophobicContact CD2-CG 3.68Å; L556-L561 HydrophobicContact CG-CD1 4.49Å; L556-L561 HydrophobicContact CG-CD2 4.44Å; L556-L561 HydrophobicContact CG-CG 4.1Å; L556-L561 WeakPolarHBondContact O-CB 3.45Å; L556-L561 WeakPolarHBondContact O-CG 3.06Å; L556-L561 PolarHBondContact O-N 2.86Å; L561-A563 VanDerWaalsContact C-N 3.3Å; L561-A563 PolarHBondContact O-N 2.84Å; L561-V564 WeakPolarHBondContact O-CB 3.39Å; L561-V564 PolarHBondContact O-N 3.22Å; L561-A565 PolarHBondContact O-N 3.01Å |
| 562 | P | 93.3 | Very high | 90.7 | Very high | 34 Ų | 34 | 37.7 Ų | 37.7 | 22% | 0.221 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.7 | -35.2 | 166.6 | -29.2 | 37.6 | 0 | 0 | 0 | 114.2 | P484 I557 A565 Q566 | P484-P562 HydrophobicContact CG-CG 4.42Å; I557-P562 VanDerWaalsContact O-CD 3.25Å; I557-P562 WeakPolarHBondContact O-CD 3.5Å; P562-A565 WeakPolarHBondContact O-CB 3.42Å; P562-A565 PolarHBondContact O-N 3.4Å; P562-Q566 WeakPolarHBondContact O-CB 3.4Å; P562-Q566 VanDerWaalsContact O-CG 3.27Å; P562-Q566 WeakPolarHBondContact O-CG 3.31Å; P562-Q566 PolarHBondContact O-N 3.47Å |
| 563 | A | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -70.2 | -32.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H559 I560 L561 L567 P671 Y674 | H559-A563 VanDerWaalsContact O-CB 3.25Å; H559-A563 WeakPolarHBondContact O-CB 3.26Å; H559-A563 PolarHBondContact O-N 3.38Å; I560-A563 CarbonylContact O-C 3.58Å; I560-A563 WeakPolarHBondContact O-CB 3.48Å; I560-A563 PolarHBondContact O-N 3.31Å; I560-A563 VanDerWaalsContact O-N 3.13Å; L561-A563 VanDerWaalsContact C-N 3.3Å; L561-A563 PolarHBondContact O-N 2.84Å; A563-L567 WeakPolarHBondContact O-CB 3.43Å; A563-L567 PolarHBondContact O-N 3.21Å; A563-P671 HydrophobicContact CB-CB 4.07Å; A563-Y674 HydrophobicContact CB-CD2 4.04Å; A563-Y674 HydrophobicContact CB-CG 4.41Å |
| 564 | V | 94.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -45.9 | 168.8 | 168.9 | 0 | 0 | 0 | 0 | 110.3 | I471 V474 I560 L561 L567 Q568 Y674 I683 | I471-V564 HydrophobicContact CG1-CG1 4.37Å; I471-V564 HydrophobicContact CG2-CG1 4.18Å; V474-V564 HydrophobicContact CG1-CB 4.39Å; V474-V564 HydrophobicContact CG1-CG1 4.11Å; I560-V564 WeakPolarHBondContact O-CG2 3.37Å; I560-V564 PolarHBondContact O-N 3.48Å; L561-V564 WeakPolarHBondContact O-CB 3.39Å; L561-V564 PolarHBondContact O-N 3.22Å; V564-L567 PolarHBondContact O-N 3.28Å; V564-Q568 PolarHBondContact O-N 2.98Å; V564-Q568 VanDerWaalsContact O-N 3.16Å; V564-Y674 HydrophobicContact CG2-CD2 4.41Å; V564-Y674 HydrophobicContact CG2-CE2 3.56Å; V564-I683 HydrophobicContact CG2-CG2 4.14Å |
| 565 | A | 92.9 | Very high | 90.6 | Very high | 10 Ų | 10 | 41.2 Ų | 41.2 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -50.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | V474 L478 L561 P562 L567 Q568 V569 | V474-A565 HydrophobicContact CG1-CB 3.6Å; L478-A565 HydrophobicContact CD1-CB 3.83Å; L478-A565 HydrophobicContact CD2-CB 4.07Å; L478-A565 HydrophobicContact CG-CB 3.97Å; L561-A565 PolarHBondContact O-N 3.01Å; P562-A565 WeakPolarHBondContact O-CB 3.42Å; P562-A565 PolarHBondContact O-N 3.4Å; A565-L567 VanDerWaalsContact C-N 3.3Å; A565-L567 PolarHBondContact O-N 3.08Å; A565-Q568 PolarHBondContact O-N 2.85Å; A565-Q568 VanDerWaalsContact O-N 3.12Å; A565-V569 PolarHBondContact O-N 3.1Å; A565-V569 VanDerWaalsContact O-N 3.13Å |
| 566 | Q | 92.4 | Very high | 90.5 | Very high | 107 Ų | 107 | 43.4 Ų | 43.4 | 50% | 0.5 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.5 | -38.6 | 177.4 | -74.7 | 169.3 | 1.9 | 0 | 0 | 112.2 | P562 Q568 V569 L570 P671 | P562-Q566 WeakPolarHBondContact O-CB 3.4Å; P562-Q566 VanDerWaalsContact O-CG 3.27Å; P562-Q566 WeakPolarHBondContact O-CG 3.31Å; P562-Q566 PolarHBondContact O-N 3.47Å; Q566-Q568 VanDerWaalsContact C-N 3.34Å; Q566-Q568 PolarHBondContact O-N 3Å; Q566-V569 PolarHBondContact O-N 3.09Å; Q566-L570 WeakPolarHBondContact O-CB 3.44Å; Q566-L570 VanDerWaalsContact O-CG 3.29Å; Q566-L570 WeakPolarHBondContact O-CG 3.45Å; Q566-L570 PolarHBondContact O-N 2.64Å; Q566-P671 HydrophobicContact CB-CB 4.46Å; Q566-P671 HydrophobicContact CB-CG 3.67Å |
| 567 | L | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.1 | -37.5 | 175.3 | 178 | 60.4 | 0 | 0 | 0 | 112.3 | A563 V564 A565 L570 T571 I668 V670 Y674 T699 A702 L703 | A563-L567 WeakPolarHBondContact O-CB 3.43Å; A563-L567 PolarHBondContact O-N 3.21Å; V564-L567 PolarHBondContact O-N 3.28Å; A565-L567 VanDerWaalsContact C-N 3.3Å; A565-L567 PolarHBondContact O-N 3.08Å; L567-L570 PolarHBondContact O-N 3.16Å; L567-T571 PolarHBondContact O-N 3.15Å; L567-T571 PolarHBondContact O-OG1 3.26Å; L567-I668 HydrophobicContact CD1-CG2 3.62Å; L567-V670 HydrophobicContact CD1-CG2 4.12Å; L567-V670 HydrophobicContact CD2-CG1 4.35Å; L567-V670 HydrophobicContact CD2-CG2 4.28Å; L567-Y674 HydrophobicContact CD2-CE2 4.3Å; L567-T699 HydrophobicContact CD2-CG2 3.88Å; L567-T699 HydrophobicContact CG-CG2 4.03Å; L567-A702 HydrophobicContact CD1-CB 4.31Å; L567-L703 HydrophobicContact CD2-CD1 4.49Å; L567-L703 HydrophobicContact CD2-CD2 3.59Å; L567-L703 HydrophobicContact CD2-CG 3.96Å |
| 568 | Q | 91.8 | Very high | 89.7 | Confident | 32 Ų | 32 | 45.3 Ų | 45.3 | 15% | 0.15 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.2 | -44.8 | 174.8 | -158.8 | 75 | -4.1 | 0 | 0 | 111.4 | L475 L478 V564 A565 Q566 L570 T571 W572 E696 | L475-Q568 HydrophobicContact CD2-CB 3.63Å; L475-Q568 HydrophobicContact CD2-CG 3.47Å; L475-Q568 VanDerWaalsContact CD2-CG 3.47Å; L478-Q568 HydrophobicContact CD1-CB 4.28Å; V564-Q568 PolarHBondContact O-N 2.98Å; V564-Q568 VanDerWaalsContact O-N 3.16Å; A565-Q568 PolarHBondContact O-N 2.85Å; A565-Q568 VanDerWaalsContact O-N 3.12Å; Q566-Q568 VanDerWaalsContact C-N 3.34Å; Q566-Q568 PolarHBondContact O-N 3Å; Q568-L570 VanDerWaalsContact C-N 3.29Å; Q568-L570 PolarHBondContact O-N 2.99Å; Q568-T571 WeakPolarHBondContact O-CB 3.27Å; Q568-T571 PolarHBondContact O-N 3.14Å; Q568-T571 VanDerWaalsContact O-N 3.12Å; Q568-W572 PolarHBondContact O-N 2.92Å; Q568-E696 PolarHBondContact NE2-OE2 3.46Å |
| 569 | V | 91.1 | Very high | 89.3 | Confident | 64 Ų | 64 | 47 Ų | 47 | 39% | 0.388 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.9 | -37.9 | 177.3 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | L478 A565 Q566 R573 | L478-V569 HydrophobicContact CD1-CG2 4.24Å; L478-V569 HydrophobicContact CD2-CG2 4.24Å; A565-V569 PolarHBondContact O-N 3.1Å; A565-V569 VanDerWaalsContact O-N 3.13Å; Q566-V569 PolarHBondContact O-N 3.09Å; V569-R573 WeakPolarHBondContact O-CB 3.29Å; V569-R573 VanDerWaalsContact O-CG 3.25Å; V569-R573 WeakPolarHBondContact O-CG 3.44Å; V569-R573 PolarHBondContact O-N 3.03Å |
| 570 | L | 89.8 | Confident | 89 | Confident | 60 Ų | 60 | 46.6 Ų | 46.6 | 31% | 0.314 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.7 | -40.2 | 173 | -71.6 | 169.2 | 0 | 0 | 0 | 112.3 | Q566 L567 Q568 R573 A574 I668 T669 P671 | Q566-L570 WeakPolarHBondContact O-CB 3.44Å; Q566-L570 VanDerWaalsContact O-CG 3.29Å; Q566-L570 WeakPolarHBondContact O-CG 3.45Å; Q566-L570 PolarHBondContact O-N 2.64Å; L567-L570 PolarHBondContact O-N 3.16Å; Q568-L570 VanDerWaalsContact C-N 3.29Å; Q568-L570 PolarHBondContact O-N 2.99Å; L570-R573 PolarHBondContact O-N 3.22Å; L570-A574 WeakPolarHBondContact O-CB 3.35Å; L570-A574 PolarHBondContact O-N 2.9Å; L570-I668 HydrophobicContact CB-CG2 4.38Å; L570-T669 WeakPolarHBondContact CD1-O 3.44Å; L570-P671 HydrophobicContact CD1-CG 4.11Å |
| 571 | T | 88.6 | Confident | 88.5 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.018 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.2 | -48.6 | 174.8 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | L567 Q568 R573 A574 Q575 I668 A698 T699 | L567-T571 PolarHBondContact O-N 3.15Å; L567-T571 PolarHBondContact O-OG1 3.26Å; Q568-T571 WeakPolarHBondContact O-CB 3.27Å; Q568-T571 PolarHBondContact O-N 3.14Å; Q568-T571 VanDerWaalsContact O-N 3.12Å; T571-R573 PolarHBondContact O-N 2.92Å; T571-A574 WeakPolarHBondContact O-CB 3.47Å; T571-A574 PolarHBondContact O-N 3.07Å; T571-A574 VanDerWaalsContact O-N 3.13Å; T571-Q575 WeakPolarHBondContact O-CG 3.25Å; T571-Q575 PolarHBondContact O-N 3.35Å; T571-I668 HydrophobicContact CG2-CD1 4Å; T571-A698 HydrophobicContact CG2-CB 4.06Å; T571-T699 VanDerWaalsContact CG2-OG1 3.3Å; T571-T699 WeakPolarHBondContact CG2-OG1 3.34Å; T571-T699 PolarHBondContact OG1-OG1 2.87Å |
| 572 | W | 87.6 | Confident | 87.8 | Confident | 134 Ų | 134 | 51.4 Ų | 51.4 | 51% | 0.508 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 178.4 | 177.8 | 73.3 | 0 | 0 | 0 | 112 | Q568 A574 Q575 V576 L1145 | Q568-W572 PolarHBondContact O-N 2.92Å; W572-A574 VanDerWaalsContact C-N 3.3Å; W572-A574 PolarHBondContact O-N 2.9Å; W572-Q575 PolarHBondContact O-N 3.33Å; W572-V576 HydrophobicContact CD2-CG2 4.23Å; W572-V576 HydrophobicContact CH2-CG2 4.46Å; W572-V576 HydrophobicContact CZ2-CG2 3.84Å; W572-V576 WeakPolarHBondContact O-CG2 3.31Å; W572-V576 PolarHBondContact O-N 2.89Å; W572-L1145 HydrophobicContact CH2-CD1 4.5Å; W572-L1145 HydrophobicContact CZ2-CD1 4.07Å |
| 573 | R | 87.1 | Confident | 87.3 | Confident | 133 Ų | 133 | 54.7 Ų | 54.7 | 50% | 0.502 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.8 | -33.8 | 174.1 | -75.8 | 177.8 | 62.1 | 150 | 1.9 | 113.2 | V569 L570 T571 A577 | V569-R573 WeakPolarHBondContact O-CB 3.29Å; V569-R573 VanDerWaalsContact O-CG 3.25Å; V569-R573 WeakPolarHBondContact O-CG 3.44Å; V569-R573 PolarHBondContact O-N 3.03Å; L570-R573 PolarHBondContact O-N 3.22Å; T571-R573 PolarHBondContact O-N 2.92Å; R573-A577 VanDerWaalsContact O-CB 3.23Å; R573-A577 WeakPolarHBondContact O-CB 3.25Å; R573-A577 PolarHBondContact O-N 3.13Å |
| 574 | A | 86.6 | Confident | 86.8 | Confident | 6 Ų | 6 | 55 Ų | 55 | 5% | 0.05 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L570 T571 W572 A577 E578 C665 I668 | L570-A574 WeakPolarHBondContact O-CB 3.35Å; L570-A574 PolarHBondContact O-N 2.9Å; T571-A574 WeakPolarHBondContact O-CB 3.47Å; T571-A574 PolarHBondContact O-N 3.07Å; T571-A574 VanDerWaalsContact O-N 3.13Å; W572-A574 VanDerWaalsContact C-N 3.3Å; W572-A574 PolarHBondContact O-N 2.9Å; A574-A577 PolarHBondContact O-N 3.41Å; A574-E578 PolarHBondContact O-N 3.22Å; A574-C665 WeakPolarHBondContact CA-O 3.39Å; A574-C665 WeakPolarHBondContact CB-O 3.36Å; A574-I668 HydrophobicContact CB-CD1 3.89Å; A574-I668 HydrophobicContact CB-CG1 3.48Å; A574-I668 VanDerWaalsContact CB-CG1 3.48Å |
| 575 | Q | 85.8 | Confident | 86 | Confident | 107 Ų | 107 | 59 Ų | 59 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -50.5 | 175 | -69.6 | 169 | -48.3 | 0 | 0 | 111.5 | T571 W572 A577 E578 E579 | T571-Q575 WeakPolarHBondContact O-CG 3.25Å; T571-Q575 PolarHBondContact O-N 3.35Å; W572-Q575 PolarHBondContact O-N 3.33Å; Q575-A577 PolarHBondContact O-N 3.4Å; Q575-E578 PolarHBondContact O-N 3.36Å; Q575-E578 VanDerWaalsContact O-N 3.14Å; Q575-E579 PolarHBondContact O-N 3.24Å |
| 576 | V | 85.4 | Confident | 85.3 | Confident | 48 Ų | 48 | 62.4 Ų | 62.4 | 29% | 0.291 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.2 | -34.2 | 175.6 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | W572 I580 | W572-V576 HydrophobicContact CD2-CG2 4.23Å; W572-V576 HydrophobicContact CH2-CG2 4.46Å; W572-V576 HydrophobicContact CZ2-CG2 3.84Å; W572-V576 WeakPolarHBondContact O-CG2 3.31Å; W572-V576 PolarHBondContact O-N 2.89Å; V576-I580 HydrophobicContact CG1-CD1 3.92Å; V576-I580 WeakPolarHBondContact O-CB 3.29Å; V576-I580 WeakPolarHBondContact O-CD1 3.25Å; V576-I580 VanDerWaalsContact O-CG1 3.25Å; V576-I580 WeakPolarHBondContact O-CG1 3.25Å; V576-I580 PolarHBondContact O-N 3.29Å |
| 577 | A | 84.5 | Confident | 84.5 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 3% | 0.033 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.1 | -39.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R573 A574 Q575 I580 L581 A662 C665 V666 | R573-A577 VanDerWaalsContact O-CB 3.23Å; R573-A577 WeakPolarHBondContact O-CB 3.25Å; R573-A577 PolarHBondContact O-N 3.13Å; A574-A577 PolarHBondContact O-N 3.41Å; Q575-A577 PolarHBondContact O-N 3.4Å; A577-I580 PolarHBondContact O-N 2.89Å; A577-L581 WeakPolarHBondContact O-CB 3.28Å; A577-L581 WeakPolarHBondContact O-CD1 3.47Å; A577-L581 WeakPolarHBondContact O-CG 3.19Å; A577-L581 PolarHBondContact O-N 3.42Å; A577-A662 HydrophobicContact CB-CB 4.12Å; A577-A662 WeakPolarHBondContact CB-O 3.26Å; A577-C665 HydrophobicContact CB-CB 3.86Å; A577-V666 HydrophobicContact CB-CG2 4.02Å |
| 578 | E | 81.5 | Confident | 83.6 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 29% | 0.285 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.9 | -37.4 | 173.9 | -68.5 | -133.2 | 166.5 | 0 | 0 | 112.2 | A574 Q575 L581 T582 V666 G862 S863 | A574-E578 PolarHBondContact O-N 3.22Å; Q575-E578 PolarHBondContact O-N 3.36Å; Q575-E578 VanDerWaalsContact O-N 3.14Å; E578-L581 PolarHBondContact O-N 3.4Å; E578-T582 WeakPolarHBondContact O-CG2 3.44Å; E578-T582 PolarHBondContact O-N 3.35Å; E578-T582 PolarHBondContact O-OG1 3.49Å; E578-V666 HydrophobicContact CG-CG1 3.99Å; E578-V666 HydrophobicContact CG-CG2 4.01Å; E578-V666 WeakPolarHBondContact OE1-CG1 3.1Å; E578-G862 VanDerWaalsContact CD-CA 3.49Å; E578-G862 WeakPolarHBondContact OE1-CA 3.35Å; E578-G862 VanDerWaalsContact OE2-CA 3.32Å; E578-G862 WeakPolarHBondContact OE2-CA 3.43Å; E578-S863 PolarHBondContact OE1-N 3.38Å; E578-S863 VanDerWaalsContact OE1-N 3.1Å |
| 579 | E | 81.6 | Confident | 82.1 | Confident | 110 Ų | 110 | 67.8 Ų | 67.8 | 51% | 0.514 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 171.6 | -73 | -171.8 | 169.7 | 0 | 0 | 112.1 | Q575 L581 T582 L583 | Q575-E579 PolarHBondContact O-N 3.24Å; E579-L581 VanDerWaalsContact C-N 3.26Å; E579-L581 PolarHBondContact O-N 3.48Å; E579-T582 WeakPolarHBondContact CA-OG1 3.42Å; E579-T582 PolarHBondContact O-N 3Å; E579-T582 PolarHBondContact O-OG1 3.37Å; E579-L583 WeakPolarHBondContact O-CB 3.11Å; E579-L583 WeakPolarHBondContact O-CG 3.36Å; E579-L583 PolarHBondContact O-N 3.21Å |
| 580 | I | 82.6 | Confident | 80 | Confident | 65 Ų | 65 | 71 Ų | 71 | 33% | 0.333 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.6 | -38.3 | 175.3 | -72.1 | 166.5 | 0 | 0 | 0 | 111.1 | V576 A577 S584 A662 | V576-I580 HydrophobicContact CG1-CD1 3.92Å; V576-I580 WeakPolarHBondContact O-CB 3.29Å; V576-I580 WeakPolarHBondContact O-CD1 3.25Å; V576-I580 VanDerWaalsContact O-CG1 3.25Å; V576-I580 WeakPolarHBondContact O-CG1 3.25Å; V576-I580 PolarHBondContact O-N 3.29Å; A577-I580 PolarHBondContact O-N 2.89Å; I580-S584 VanDerWaalsContact O-CB 3.31Å; I580-S584 WeakPolarHBondContact O-CB 3.24Å; I580-S584 PolarHBondContact O-N 3.09Å; I580-S584 PolarHBondContact O-OG 3.11Å; I580-A662 HydrophobicContact CG2-CB 4.19Å |
| 581 | L | 81.4 | Confident | 77.6 | Confident | 13 Ų | 13 | 75.3 Ų | 75.3 | 7% | 0.068 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -72.4 | -43.8 | -179.6 | -72.8 | 166.1 | 0 | 0 | 0 | 112.8 | A577 E578 E579 S584 N585 I659 A662 T663 V666 | A577-L581 WeakPolarHBondContact O-CB 3.28Å; A577-L581 WeakPolarHBondContact O-CD1 3.47Å; A577-L581 WeakPolarHBondContact O-CG 3.19Å; A577-L581 PolarHBondContact O-N 3.42Å; E578-L581 PolarHBondContact O-N 3.4Å; E579-L581 VanDerWaalsContact C-N 3.26Å; E579-L581 PolarHBondContact O-N 3.48Å; L581-S584 WeakPolarHBondContact CA-OG 3.49Å; L581-S584 PolarHBondContact O-N 3.34Å; L581-S584 PolarHBondContact O-OG 3Å; L581-N585 WeakPolarHBondContact O-CB 3.37Å; L581-N585 PolarHBondContact O-N 2.93Å; L581-N585 PolarHBondContact O-ND2 3.4Å; L581-N585 PolarHBondContact O-OD1 2.89Å; L581-I659 HydrophobicContact CD2-CG2 3.93Å; L581-A662 HydrophobicContact CG-CB 4.44Å; L581-T663 HydrophobicContact CD1-CG2 4.08Å; L581-T663 HydrophobicContact CD2-CG2 3.57Å; L581-T663 HydrophobicContact CG-CG2 4.49Å; L581-V666 HydrophobicContact CD1-CG2 3.75Å |
| 582 | T | 80.5 | Confident | 74.9 | Confident | 89 Ų | 89 | 80.5 Ų | 80.5 | 55% | 0.546 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.5 | -43.6 | 176 | 49.7 | 0 | 0 | 0 | 0 | 111.5 | E578 E579 N585 S586 | E578-T582 WeakPolarHBondContact O-CG2 3.44Å; E578-T582 PolarHBondContact O-N 3.35Å; E578-T582 PolarHBondContact O-OG1 3.49Å; E579-T582 WeakPolarHBondContact CA-OG1 3.42Å; E579-T582 PolarHBondContact O-N 3Å; E579-T582 PolarHBondContact O-OG1 3.37Å; T582-N585 PolarHBondContact O-N 3.01Å; T582-S586 PolarHBondContact O-N 3.24Å; T582-S586 VanDerWaalsContact O-N 3.15Å |
| 583 | L | 83.2 | Confident | 72.1 | Confident | 102 Ų | 102 | 81.7 Ų | 81.7 | 53% | 0.534 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 171.4 | -78.2 | 161 | 0 | 0 | 0 | 111.8 | E579 N585 S586 L587 | E579-L583 WeakPolarHBondContact O-CB 3.11Å; E579-L583 WeakPolarHBondContact O-CG 3.36Å; E579-L583 PolarHBondContact O-N 3.21Å; L583-N585 VanDerWaalsContact C-N 3.32Å; L583-N585 PolarHBondContact O-N 3.5Å; L583-S586 PolarHBondContact O-N 2.92Å; L583-S586 PolarHBondContact O-OG 3.22Å; L583-L587 WeakPolarHBondContact O-CB 3.48Å; L583-L587 WeakPolarHBondContact O-CG 3.46Å; L583-L587 PolarHBondContact O-N 3.27Å |
| 584 | S | 80.6 | Confident | 69.2 | Low | 8 Ų | 8 | 83.5 Ų | 83.5 | 6% | 0.056 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -64.1 | -34.9 | 178.8 | 69.2 | 0 | 0 | 0 | 0 | 113.4 | I580 L581 S586 L587 W588 | I580-S584 VanDerWaalsContact O-CB 3.31Å; I580-S584 WeakPolarHBondContact O-CB 3.24Å; I580-S584 PolarHBondContact O-N 3.09Å; I580-S584 PolarHBondContact O-OG 3.11Å; L581-S584 WeakPolarHBondContact CA-OG 3.49Å; L581-S584 PolarHBondContact O-N 3.34Å; L581-S584 PolarHBondContact O-OG 3Å; S584-S586 VanDerWaalsContact C-N 3.34Å; S584-L587 PolarHBondContact O-N 3.33Å; S584-W588 PolarHBondContact O-N 3.23Å |
| 585 | N | 77.5 | Confident | 66.4 | Low | 83 Ų | 83 | 90.4 Ų | 90.4 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -72.7 | -27.2 | 178.1 | -69.2 | -11.7 | 0 | 0 | 0 | 112.4 | L581 T582 L583 P589 | L581-N585 WeakPolarHBondContact O-CB 3.37Å; L581-N585 PolarHBondContact O-N 2.93Å; L581-N585 PolarHBondContact O-ND2 3.4Å; L581-N585 PolarHBondContact O-OD1 2.89Å; T582-N585 PolarHBondContact O-N 3.01Å; L583-N585 VanDerWaalsContact C-N 3.32Å; L583-N585 PolarHBondContact O-N 3.5Å; N585-P589 WeakPolarHBondContact O-CA 3.31Å |
| 586 | S | 78.1 | Confident | 63.5 | Low | 82 Ų | 82 | 91.5 Ų | 91.5 | 57% | 0.573 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -79 | -33.8 | 172.2 | 69.6 | 0 | 0 | 0 | 0 | 113.2 | T582 L583 S584 | T582-S586 PolarHBondContact O-N 3.24Å; T582-S586 VanDerWaalsContact O-N 3.15Å; L583-S586 PolarHBondContact O-N 2.92Å; L583-S586 PolarHBondContact O-OG 3.22Å; S584-S586 VanDerWaalsContact C-N 3.34Å |
| 587 | L | 75.5 | Confident | 60.9 | Low | 113 Ų | 113 | 96.1 Ų | 96.1 | 59% | 0.592 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -79.9 | -34.2 | 178.9 | -71.4 | 169.4 | 0 | 0 | 0 | 113.1 | L583 S584 | L583-L587 WeakPolarHBondContact O-CB 3.48Å; L583-L587 WeakPolarHBondContact O-CG 3.46Å; L583-L587 PolarHBondContact O-N 3.27Å; S584-L587 PolarHBondContact O-N 3.33Å |
| 588 | W | 75.9 | Confident | 58.1 | Low | 56 Ų | 56 | 101.6 Ų | 101.6 | 21% | 0.212 | 57% | 0.574 | C | S | . | * | S | Bend | trans | -129.9 | 75.1 | 175.5 | -59 | -76.8 | 0 | 0 | 0 | 110.6 | S584 T590 P651 W655 I659 | S584-W588 PolarHBondContact O-N 3.23Å; W588-T590 PolarHBondContact O-N 3.12Å; W588-P651 HydrophobicContact CD2-CB 3.75Å; W588-P651 HydrophobicContact CD2-CG 4.45Å; W588-P651 HydrophobicContact CE3-CB 3.84Å; W588-P651 HydrophobicContact CG-CB 4.36Å; W588-P651 HydrophobicContact CH2-CB 4.06Å; W588-P651 HydrophobicContact CZ2-CB 3.97Å; W588-P651 HydrophobicContact CZ3-CB 4Å; W588-W655 HydrophobicContact CH2-CG 4.38Å; W588-I659 HydrophobicContact CE3-CD1 4.38Å; W588-I659 HydrophobicContact CZ3-CD1 4.21Å |
| 589 | P | 58.8 | Low | 55.6 | Low | 83 Ų | 83 | 103.9 Ų | 103.9 | 54% | 0.539 | 60% | 0.596 | S | S | . | * | trans | -59.2 | 120.5 | 174.6 | -21.2 | 33.2 | 0 | 0 | 0 | 110.3 | N585 N591 | N585-P589 WeakPolarHBondContact O-CA 3.31Å; P589-N591 VanDerWaalsContact C-N 3.25Å; P589-N591 PolarHBondContact O-N 3.5Å | ||
| 590 | T | 47.2 | Very low | 53.1 | Low | 131 Ų | 131 | 103.5 Ų | 103.5 | 80% | 0.804 | 61% | 0.606 | S | S | * | * | trans | -77.2 | 75.8 | 179.5 | 55.8 | 0 | 0 | 0 | 0 | 110.3 | W588 S592 | W588-T590 PolarHBondContact O-N 3.12Å; T590-S592 PolarHBondContact O-N 3.19Å; T590-S592 VanDerWaalsContact O-N 3.16Å | ||
| 591 | N | 40 | Very low | 50.7 | Low | 151 Ų | 151 | 108.4 Ų | 108.4 | 81% | 0.807 | 63% | 0.633 | S | S | * | * | trans | -61.4 | 116.2 | 174.9 | -90.7 | 7 | 0 | 0 | 0 | 110.5 | P589 L593 | P589-N591 VanDerWaalsContact C-N 3.25Å; P589-N591 PolarHBondContact O-N 3.5Å; N591-L593 PolarHBondContact O-N 3.01Å | ||
| 592 | S | 31.5 | Very low | 48.2 | Very low | 111 Ų | 111 | 113.2 Ų | 113.2 | 78% | 0.776 | 67% | 0.667 | S | S | * | * | trans | -66.9 | 106.3 | 169.6 | 49.9 | 0 | 0 | 0 | 0 | 110.1 | T590 E594 | T590-S592 PolarHBondContact O-N 3.19Å; T590-S592 VanDerWaalsContact O-N 3.16Å; S592-E594 PolarHBondContact O-N 3.39Å | ||
| 593 | L | 28.9 | Very low | 46 | Very low | 159 Ų | 159 | 114.4 Ų | 114.4 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | trans | -91.1 | 76.3 | 174.1 | -169.2 | 72.7 | 0 | 0 | 0 | 110.6 | N591 | N591-L593 PolarHBondContact O-N 3.01Š| ||
| 594 | E | 27.1 | Very low | 43.7 | Very low | 172 Ų | 172 | 115 Ų | 115 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | trans | -94.6 | 145.2 | 158.7 | -72.8 | -168.2 | 130 | 0 | 0 | 109.9 | S592 | S592-E594 PolarHBondContact O-N 3.39Š| ||
| 595 | N | 26.6 | Very low | 41.4 | Very low | 150 Ų | 150 | 118.4 Ų | 118.4 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | trans | 59.3 | 93.9 | 175.9 | -64.5 | -29.7 | 0 | 0 | 0 | 117.8 | ||||
| 596 | T | 26.3 | Very low | 39.2 | Very low | 131 Ų | 131 | 118.6 Ų | 118.6 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -167.1 | 77.6 | 130.2 | 14.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 597 | T | 29.2 | Very low | 37 | Very low | 145 Ų | 145 | 118.9 Ų | 118.9 | 89% | 0.89 | 77% | 0.766 | S | S | * | * | trans | -147.4 | 107 | 157.1 | 47.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 598 | S | 26.5 | Very low | 35 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | -147.9 | 83.1 | 175.3 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 599 | S | 28.3 | Very low | 33 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -170.7 | 141.5 | 162.3 | 48.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 600 | S | 29 | Very low | 31.7 | Very low | 102 Ų | 102 | 120 Ų | 120 | 71% | 0.713 | 83% | 0.827 | S | S | * | * | trans | 48 | 115 | 162.5 | 54.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 601 | N | 32.7 | Very low | 31 | Very low | 169 Ų | 169 | 118 Ų | 118 | 90% | 0.904 | 83% | 0.832 | S | S | * | * | -147.4 | 158.4 | 61.2 | -96.2 | -24.2 | 0 | 0 | 0 | 115 | |||||
| 602 | S | 28.4 | Very low | 30.5 | Very low | 113 Ų | 113 | 114.3 Ų | 114.3 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | -116.6 | 121.3 | -179.9 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 603 | S | 34.7 | Very low | 30.5 | Very low | 114 Ų | 114 | 115.1 Ų | 115.1 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | trans | -170.4 | 145.5 | 153.8 | 54.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 604 | S | 35 | Very low | 30.8 | Very low | 114 Ų | 114 | 114 Ų | 114 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | trans | -6.7 | 142.2 | 159.5 | 52.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 605 | G | 32.1 | Very low | 31.5 | Very low | 80 Ų | 80 | 111.1 Ų | 111.1 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | cis | 103.7 | 131.4 | 15.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 606 | G | 32.6 | Very low | 31.8 | Very low | 87 Ų | 87 | 108.8 Ų | 108.8 | 90% | 0.897 | 83% | 0.827 | S | S | * | * | trans | 107.4 | 142.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 607 | G | 31.8 | Very low | 32 | Very low | 88 Ų | 88 | 109.6 Ų | 109.6 | 91% | 0.907 | 83% | 0.826 | S | S | * | * | trans | -132.2 | 171.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 608 | G | 33.6 | Very low | 32.1 | Very low | 85 Ų | 85 | 108.8 Ų | 108.8 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | trans | -178.3 | 147.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 609 | A | 32.8 | Very low | 32.4 | Very low | 112 Ų | 112 | 109.1 Ų | 109.1 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | trans | -116.4 | 158.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 610 | G | 31.5 | Very low | 32.4 | Very low | 80 Ų | 80 | 111 Ų | 111 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 154 | 87.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 611 | G | 32.2 | Very low | 32.6 | Very low | 88 Ų | 88 | 112.7 Ų | 112.7 | 91% | 0.907 | 82% | 0.816 | S | S | * | * | trans | 72.3 | 160.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 612 | G | 30.4 | Very low | 32.6 | Very low | 73 Ų | 73 | 112.6 Ų | 112.6 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | cis | 173.2 | 155.5 | -8.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 613 | S | 31.9 | Very low | 32.8 | Very low | 128 Ų | 128 | 115.9 Ų | 115.9 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | trans | 67.8 | 80.6 | 160 | -53.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 614 | T | 34.4 | Very low | 32.5 | Very low | 136 Ų | 136 | 121.6 Ų | 121.6 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | trans | -79.5 | 173.1 | 133 | 54.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 615 | P | 41.7 | Very low | 32.2 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | cis | -151.4 | -170.1 | 23.1 | 41.6 | -18.1 | 0 | 0 | 0 | 119 | ||||
| 616 | S | 32.4 | Very low | 32 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 71% | 0.713 | 81% | 0.809 | S | S | * | * | trans | 95.5 | 111.4 | 143.7 | -65.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 617 | N | 30.6 | Very low | 31.8 | Very low | 148 Ų | 148 | 122.4 Ų | 122.4 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | 43.2 | 135.7 | 129.7 | -72.1 | 4 | 0 | 0 | 0 | 120.7 | |||||
| 618 | N | 32 | Very low | 31.8 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 68% | 0.679 | 80% | 0.795 | S | S | * | * | -167.9 | 150.9 | 59.7 | -120.6 | -19.6 | 0 | 0 | 0 | 115.6 | |||||
| 619 | N | 32.4 | Very low | 31.5 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 67% | 0.674 | 79% | 0.792 | S | S | * | * | trans | 54.1 | 119.2 | 143.2 | -66 | -24.7 | 0 | 0 | 0 | 124.4 | ||||
| 620 | N | 28.6 | Very low | 31.2 | Very low | 147 Ų | 147 | 131.3 Ų | 131.3 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | 47.3 | 117.8 | 129.3 | -67.5 | -18 | 0 | 0 | 0 | 121.5 | |||||
| 621 | T | 33.2 | Very low | 31.3 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | -150.7 | 133.1 | 125.1 | -9.9 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 622 | N | 31.1 | Very low | 31.1 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -132.2 | 120.7 | -177.7 | -145.1 | -5.9 | 0 | 0 | 0 | 108 | ||||
| 623 | Q | 34.6 | Very low | 31.1 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -125.8 | 166.2 | -172.5 | -83.2 | -161.4 | 1.3 | 0 | 0 | 113.6 | ||||
| 624 | R | 27.6 | Very low | 31 | Very low | 234 Ų | 234 | 144.7 Ų | 144.7 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -149.7 | 149.4 | -168.9 | -130.4 | -165.5 | 168.3 | -156.3 | -3.4 | 107.1 | ||||
| 625 | S | 28.3 | Very low | 30.8 | Very low | 73 Ų | 73 | 146 Ų | 146 | 51% | 0.51 | 79% | 0.785 | S | S | . | * | cis | -151.4 | 179.1 | 9.6 | -37.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 626 | T | 29 | Very low | 30.4 | Very low | 135 Ų | 135 | 145.5 Ų | 145.5 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | 65.3 | 154.4 | 149.5 | 46.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 627 | S | 26.8 | Very low | 30.2 | Very low | 91 Ų | 91 | 146 Ų | 146 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | cis | -176.2 | 147.3 | -16.4 | 47 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 628 | H | 32.1 | Very low | 30.3 | Very low | 188 Ų | 188 | 144.6 Ų | 144.6 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -172.9 | 149.8 | 134 | -117.6 | -79.9 | 0 | 0 | 0 | 113.3 | ||||
| 629 | E | 26.7 | Very low | 30.1 | Very low | 171 Ų | 171 | 146 Ų | 146 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -102.7 | 155.7 | 170.6 | -61.8 | 161 | 77.9 | 0 | 0 | 111.1 | ||||
| 630 | S | 28.6 | Very low | 29.9 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | 164 | 147.9 | 121.2 | -77.3 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 631 | K | 33.4 | Very low | 30 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | 77.5 | 93.6 | 152.1 | -74.4 | 176.8 | 178.1 | -175.6 | 0 | 122.4 | ||||
| 632 | E | 26.2 | Very low | 29.7 | Very low | 182 Ų | 182 | 143 Ų | 143 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | 14.2 | 137.2 | 123.7 | -56 | 166.6 | 110.1 | 0 | 0 | 121.4 | |||||
| 633 | S | 31.1 | Very low | 29.9 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -164.8 | 130.3 | 117.4 | 14.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 634 | L | 29.5 | Very low | 29.6 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -2.4 | 130.9 | 156.5 | -63.5 | 157.6 | 0 | 0 | 0 | 121.1 | ||||
| 635 | N | 30 | Very low | 29.7 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | -165.5 | 146.2 | 115.3 | -114.6 | -15.6 | 0 | 0 | 0 | 113.2 | |||||
| 636 | P | 35.1 | Very low | 29.9 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | trans | -107.4 | 162.9 | -178.6 | 39.4 | -33.7 | 0 | 0 | 0 | 115.8 | ||||
| 637 | S | 27 | Very low | 30.2 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | 56.6 | 115 | 154.7 | 60.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 638 | S | 32.8 | Very low | 30.9 | Very low | 118 Ų | 118 | 134.4 Ų | 134.4 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | -161.8 | 162.5 | 120.9 | 53.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 639 | L | 28.9 | Very low | 32 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -70 | 162.8 | -151.8 | -74.8 | 60.6 | 0 | 0 | 0 | 118.8 | ||||
| 640 | S | 27.1 | Very low | 33.4 | Very low | 110 Ų | 110 | 126.9 Ų | 126.9 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | 57.7 | 98.4 | 138.6 | 64.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 641 | S | 31.4 | Very low | 35.3 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | -162.9 | 125.9 | 117.9 | 54.6 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 642 | S | 27.2 | Very low | 37.1 | Very low | 119 Ų | 119 | 117.1 Ų | 117.1 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | -119.9 | 161.3 | 155.8 | -73.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 643 | P | 34.3 | Very low | 39.3 | Very low | 119 Ų | 119 | 115.2 Ų | 115.2 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | cis | -135.8 | 147.9 | 18.7 | 38.8 | -21.2 | 0 | 0 | 0 | 116.5 | ||||
| 644 | S | 29.3 | Very low | 41.4 | Very low | 116 Ų | 116 | 114.4 Ų | 114.4 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | trans | -154.8 | 81 | 152 | 59.8 | 0 | 0 | 0 | 0 | 109.7 | S646 | S644-S646 VanDerWaalsContact C-N 3.33Å; S644-S646 PolarHBondContact O-N 3.41Å | ||
| 645 | S | 29 | Very low | 43.6 | Very low | 109 Ų | 109 | 112.2 Ų | 112.2 | 76% | 0.762 | 70% | 0.695 | S | S | * | * | trans | -70.9 | 86.8 | 177.1 | 53.5 | 0 | 0 | 0 | 0 | 110.5 | L647 | S645-L647 VanDerWaalsContact C-N 3.29Å; S645-L647 PolarHBondContact O-N 3.45Å | ||
| 646 | S | 32.2 | Very low | 45.8 | Very low | 108 Ų | 108 | 109.1 Ų | 109.1 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | trans | -64.9 | 91.7 | 167.3 | 57.8 | 0 | 0 | 0 | 0 | 109 | S644 T648 | S644-S646 VanDerWaalsContact C-N 3.33Å; S644-S646 PolarHBondContact O-N 3.41Å; S646-T648 PolarHBondContact O-N 3.16Å; S646-T648 VanDerWaalsContact O-N 3.13Å | ||
| 647 | L | 35.9 | Very low | 47.8 | Very low | 153 Ų | 153 | 110.8 Ų | 110.8 | 80% | 0.801 | 67% | 0.672 | S | S | * | * | trans | -50.7 | 118.6 | 172.4 | -80.2 | 152.9 | 0 | 0 | 0 | 108.9 | S645 T649 | S645-L647 VanDerWaalsContact C-N 3.29Å; S645-L647 PolarHBondContact O-N 3.45Å; L647-T649 PolarHBondContact O-N 3.18Å | ||
| 648 | T | 41.6 | Very low | 50.2 | Low | 97 Ų | 97 | 112.5 Ų | 112.5 | 60% | 0.595 | 66% | 0.661 | S | S | * | * | trans | -70.2 | 93.4 | 176.8 | 53.7 | 0 | 0 | 0 | 0 | 108.7 | S646 S650 | S646-T648 PolarHBondContact O-N 3.16Å; S646-T648 VanDerWaalsContact O-N 3.13Å; T648-S650 PolarHBondContact O-N 3.11Å | ||
| 649 | T | 54.9 | Low | 52.3 | Low | 134 Ų | 134 | 108.2 Ų | 108.2 | 82% | 0.822 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -69.1 | 8.3 | 178.5 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | L647 | L647-T649 PolarHBondContact O-N 3.18Š|
| 650 | S | 56.3 | Low | 54.6 | Low | 67 Ų | 67 | 107.5 Ų | 107.5 | 47% | 0.469 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -137.1 | 145.9 | 167.4 | 51.4 | 0 | 0 | 0 | 0 | 110.4 | T648 | T648-S650 PolarHBondContact O-N 3.11Š|
| 651 | P | 67.3 | Low | 56.9 | Low | 23 Ų | 23 | 105.6 Ų | 105.6 | 15% | 0.149 | 60% | 0.6 | C | S | . | * | trans | -62.2 | 142.5 | 171.5 | 24.8 | -33.1 | 0 | 0 | 0 | 110.4 | W588 W655 Q656 I659 | W588-P651 HydrophobicContact CD2-CB 3.75Å; W588-P651 HydrophobicContact CD2-CG 4.45Å; W588-P651 HydrophobicContact CE3-CB 3.84Å; W588-P651 HydrophobicContact CG-CB 4.36Å; W588-P651 HydrophobicContact CH2-CB 4.06Å; W588-P651 HydrophobicContact CZ2-CB 3.97Å; W588-P651 HydrophobicContact CZ3-CB 4Å; P651-W655 HydrophobicContact CB-CB 3.96Å; P651-Q656 HydrophobicContact CG-CB 4.17Å; P651-Q656 HydrophobicContact CG-CG 4.37Å; P651-I659 HydrophobicContact CB-CD1 3.87Å; P651-I659 HydrophobicContact CG-CD1 3.8Å | ||
| 652 | P | 73.1 | Confident | 58.9 | Low | 71 Ų | 71 | 100.2 Ų | 100.2 | 46% | 0.461 | 56% | 0.563 | S | S | . | * | trans | -51.5 | 146 | 175.6 | -27.3 | 34.4 | 0 | 0 | 0 | 111.9 | V654 W655 Q656 | P652-V654 PolarHBondContact O-N 3.05Å; P652-W655 CarbonylContact O-C 3.54Å; P652-W655 WeakPolarHBondContact O-CA 3.37Å; P652-W655 WeakPolarHBondContact O-CB 3.5Å; P652-W655 PolarHBondContact O-N 2.68Å; P652-Q656 PolarHBondContact O-N 2.87Å | ||
| 653 | L | 72 | Confident | 61 | Low | 142 Ų | 142 | 96.6 Ų | 96.6 | 74% | 0.743 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -46.5 | -37.1 | -172.3 | -77.6 | 161.5 | 0 | 0 | 0 | 115.1 | Q656 K657 | L653-Q656 PolarHBondContact O-N 3.34Å; L653-K657 PolarHBondContact O-N 3.02Å |
| 654 | V | 75.6 | Confident | 62.9 | Low | 100 Ų | 100 | 96.8 Ų | 96.8 | 61% | 0.606 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.3 | -42.4 | 175.5 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | P652 R658 | P652-V654 PolarHBondContact O-N 3.05Å; V654-R658 WeakPolarHBondContact O-CG 3.33Å; V654-R658 PolarHBondContact O-N 3.29Å; V654-R658 VanDerWaalsContact O-N 3.17Å |
| 655 | W | 75.1 | Confident | 64.9 | Low | 117 Ų | 117 | 93.1 Ų | 93.1 | 44% | 0.443 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.3 | -40.7 | 173.6 | -78.8 | 112.9 | 0 | 0 | 0 | 112.1 | W588 P651 P652 K657 R658 I659 | W588-W655 HydrophobicContact CH2-CG 4.38Å; P651-W655 HydrophobicContact CB-CB 3.96Å; P652-W655 CarbonylContact O-C 3.54Å; P652-W655 WeakPolarHBondContact O-CA 3.37Å; P652-W655 WeakPolarHBondContact O-CB 3.5Å; P652-W655 PolarHBondContact O-N 2.68Å; W655-K657 PolarHBondContact O-N 3.25Å; W655-R658 HydrophobicContact CE3-CB 4.33Å; W655-R658 CarbonylContact O-C 3.54Å; W655-R658 PolarHBondContact O-N 3.03Å; W655-I659 WeakPolarHBondContact O-CB 3.38Å; W655-I659 VanDerWaalsContact O-CG1 3.28Å; W655-I659 WeakPolarHBondContact O-CG1 3.38Å; W655-I659 PolarHBondContact O-N 3.34Å |
| 656 | Q | 75.3 | Confident | 66.8 | Low | 100 Ų | 100 | 89.6 Ų | 89.6 | 47% | 0.467 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.5 | -40.1 | 175.7 | -162.3 | -175.2 | 35.8 | 0 | 0 | 111.5 | P651 P652 L653 K660 | P651-Q656 HydrophobicContact CG-CB 4.17Å; P651-Q656 HydrophobicContact CG-CG 4.37Å; P652-Q656 PolarHBondContact O-N 2.87Å; L653-Q656 PolarHBondContact O-N 3.34Å; Q656-K660 WeakPolarHBondContact O-CB 3.24Å; Q656-K660 PolarHBondContact O-N 3.29Å |
| 657 | K | 78.1 | Confident | 68.9 | Low | 136 Ų | 136 | 89.8 Ų | 89.8 | 59% | 0.591 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.5 | -49.8 | 170.7 | -176.7 | 177.1 | 175.6 | -178.4 | 0 | 112.1 | L653 W655 I659 K660 D661 | L653-K657 PolarHBondContact O-N 3.02Å; W655-K657 PolarHBondContact O-N 3.25Å; K657-I659 VanDerWaalsContact C-N 3.31Å; K657-I659 PolarHBondContact O-N 3.18Å; K657-K660 CarbonylContact O-C 3.54Å; K657-K660 WeakPolarHBondContact O-CB 3.49Å; K657-K660 PolarHBondContact O-N 3.08Å; K657-K660 VanDerWaalsContact O-N 3.11Å; K657-D661 VanDerWaalsContact O-CG 3.28Å; K657-D661 PolarHBondContact O-N 3.15Å |
| 658 | R | 76.7 | Confident | 71.1 | Confident | 148 Ų | 148 | 83.5 Ų | 83.5 | 56% | 0.558 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60.9 | -37.1 | 180 | -73.9 | 178.5 | 178.1 | -164.3 | -0.8 | 113.2 | V654 W655 D661 A662 | V654-R658 WeakPolarHBondContact O-CG 3.33Å; V654-R658 PolarHBondContact O-N 3.29Å; V654-R658 VanDerWaalsContact O-N 3.17Å; W655-R658 HydrophobicContact CE3-CB 4.33Å; W655-R658 CarbonylContact O-C 3.54Å; W655-R658 PolarHBondContact O-N 3.03Å; R658-D661 PolarHBondContact O-N 3.49Å; R658-A662 WeakPolarHBondContact O-CB 3.48Å; R658-A662 PolarHBondContact O-N 2.86Å |
| 659 | I | 77.3 | Confident | 73.2 | Confident | 28 Ų | 28 | 83.5 Ų | 83.5 | 14% | 0.144 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.4 | -43.9 | 174.1 | -69.5 | 162.3 | 0 | 0 | 0 | 109.9 | L581 W588 P651 W655 K657 D661 A662 T663 | L581-I659 HydrophobicContact CD2-CG2 3.93Å; W588-I659 HydrophobicContact CE3-CD1 4.38Å; W588-I659 HydrophobicContact CZ3-CD1 4.21Å; P651-I659 HydrophobicContact CB-CD1 3.87Å; P651-I659 HydrophobicContact CG-CD1 3.8Å; W655-I659 WeakPolarHBondContact O-CB 3.38Å; W655-I659 VanDerWaalsContact O-CG1 3.28Å; W655-I659 WeakPolarHBondContact O-CG1 3.38Å; W655-I659 PolarHBondContact O-N 3.34Å; K657-I659 VanDerWaalsContact C-N 3.31Å; K657-I659 PolarHBondContact O-N 3.18Å; I659-D661 PolarHBondContact O-N 3.47Å; I659-A662 WeakPolarHBondContact O-CB 3.27Å; I659-A662 PolarHBondContact O-N 3.05Å; I659-T663 PolarHBondContact O-N 3.29Å |
| 660 | K | 78.1 | Confident | 74.7 | Confident | 140 Ų | 140 | 78.3 Ų | 78.3 | 61% | 0.609 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.3 | -38.9 | 174 | -172.6 | 173.1 | -177.4 | 172.4 | 0 | 112.8 | Q656 K657 A662 T663 Q664 | Q656-K660 WeakPolarHBondContact O-CB 3.24Å; Q656-K660 PolarHBondContact O-N 3.29Å; K657-K660 CarbonylContact O-C 3.54Å; K657-K660 WeakPolarHBondContact O-CB 3.49Å; K657-K660 PolarHBondContact O-N 3.08Å; K657-K660 VanDerWaalsContact O-N 3.11Å; K660-A662 VanDerWaalsContact C-N 3.33Å; K660-T663 PolarHBondContact O-OG1 2.88Å; K660-Q664 PolarHBondContact O-NE2 3.21Å |
| 661 | D | 75.5 | Confident | 76.2 | Confident | 70 Ų | 70 | 76.1 Ų | 76.1 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.5 | -33.4 | 174.6 | -63.8 | -20.9 | 0 | 0 | 0 | 111 | K657 R658 I659 C665 | K657-D661 VanDerWaalsContact O-CG 3.28Å; K657-D661 PolarHBondContact O-N 3.15Å; R658-D661 PolarHBondContact O-N 3.49Å; I659-D661 PolarHBondContact O-N 3.47Å; D661-C665 PolarHBondContact O-N 3.03Å; D661-C665 PolarHBondContact O-SG 3.43Å |
| 662 | A | 72.7 | Confident | 77 | Confident | 8 Ų | 8 | 79.1 Ų | 79.1 | 7% | 0.066 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.4 | -46 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A577 I580 L581 R658 I659 K660 Q664 C665 V666 | A577-A662 HydrophobicContact CB-CB 4.12Å; A577-A662 WeakPolarHBondContact CB-O 3.26Å; I580-A662 HydrophobicContact CG2-CB 4.19Å; L581-A662 HydrophobicContact CG-CB 4.44Å; R658-A662 WeakPolarHBondContact O-CB 3.48Å; R658-A662 PolarHBondContact O-N 2.86Å; I659-A662 WeakPolarHBondContact O-CB 3.27Å; I659-A662 PolarHBondContact O-N 3.05Å; K660-A662 VanDerWaalsContact C-N 3.33Å; A662-Q664 PolarHBondContact O-N 3.39Å; A662-Q664 VanDerWaalsContact O-N 3.1Å; A662-C665 WeakPolarHBondContact O-CB 3.31Å; A662-C665 PolarHBondContact O-N 3.21Å; A662-V666 PolarHBondContact O-N 3.13Å |
| 663 | T | 71.9 | Confident | 77.5 | Confident | 42 Ų | 42 | 76.5 Ų | 76.5 | 26% | 0.258 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -55.9 | -30.9 | 176.8 | 60.3 | 0 | 0 | 0 | 0 | 113.3 | L581 I659 K660 I860 | L581-T663 HydrophobicContact CD1-CG2 4.08Å; L581-T663 HydrophobicContact CD2-CG2 3.57Å; L581-T663 HydrophobicContact CG-CG2 4.49Å; I659-T663 PolarHBondContact O-N 3.29Å; K660-T663 PolarHBondContact O-OG1 2.88Å; T663-I860 HydrophobicContact CG2-CD1 3.8Å |
| 664 | Q | 72.9 | Confident | 78.2 | Confident | 123 Ų | 123 | 69.7 Ų | 69.7 | 58% | 0.575 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -74.1 | -33.2 | 174.9 | -66.7 | 172.3 | 49.4 | 0 | 0 | 112.5 | K660 A662 V666 | K660-Q664 PolarHBondContact O-NE2 3.21Å; A662-Q664 PolarHBondContact O-N 3.39Å; A662-Q664 VanDerWaalsContact O-N 3.1Å; Q664-V666 VanDerWaalsContact C-N 3.31Å; Q664-V666 PolarHBondContact O-N 2.99Å |
| 665 | C | 71.8 | Confident | 78.6 | Confident | 40 Ų | 40 | 65.7 Ų | 65.7 | 27% | 0.27 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.4 | -18.9 | -178.8 | -69.2 | 0 | 0 | 0 | 0 | 114.2 | A574 A577 D661 A662 N667 | A574-C665 WeakPolarHBondContact CA-O 3.39Å; A574-C665 WeakPolarHBondContact CB-O 3.36Å; A577-C665 HydrophobicContact CB-CB 3.86Å; D661-C665 PolarHBondContact O-N 3.03Å; D661-C665 PolarHBondContact O-SG 3.43Å; A662-C665 WeakPolarHBondContact O-CB 3.31Å; A662-C665 PolarHBondContact O-N 3.21Å; C665-N667 VanDerWaalsContact C-N 3.25Å; C665-N667 PolarHBondContact O-N 3.27Å |
| 666 | V | 69.6 | Low | 79 | Confident | 34 Ų | 34 | 61.4 Ų | 61.4 | 21% | 0.206 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -28.7 | 179.1 | -179.8 | 0 | 0 | 0 | 0 | 112.6 | A577 E578 L581 A662 Q664 I668 | A577-V666 HydrophobicContact CB-CG2 4.02Å; E578-V666 HydrophobicContact CG-CG1 3.99Å; E578-V666 HydrophobicContact CG-CG2 4.01Å; E578-V666 WeakPolarHBondContact OE1-CG1 3.1Å; L581-V666 HydrophobicContact CD1-CG2 3.75Å; A662-V666 PolarHBondContact O-N 3.13Å; Q664-V666 VanDerWaalsContact C-N 3.31Å; Q664-V666 PolarHBondContact O-N 2.99Å; V666-I668 PolarHBondContact O-N 2.8Å |
| 667 | N | 75.5 | Confident | 79.5 | Confident | 112 Ų | 112 | 57.1 Ų | 57.1 | 60% | 0.599 | 30% | 0.3 | S | S | * | . | trans | -81 | 82.3 | -177.7 | -87.8 | -59.7 | 0 | 0 | 0 | 112.7 | C665 T669 | C665-N667 VanDerWaalsContact C-N 3.25Å; C665-N667 PolarHBondContact O-N 3.27Å; N667-T669 PolarHBondContact O-N 2.88Å | ||
| 668 | I | 82.3 | Confident | 79.8 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 11% | 0.108 | 28% | 0.276 | C | S | . | . | trans | -58.6 | 118.7 | 172 | -50.8 | 166.4 | 0 | 0 | 0 | 109.9 | L567 L570 T571 A574 V666 A698 A702 | L567-I668 HydrophobicContact CD1-CG2 3.62Å; L570-I668 HydrophobicContact CB-CG2 4.38Å; T571-I668 HydrophobicContact CG2-CD1 4Å; A574-I668 HydrophobicContact CB-CD1 3.89Å; A574-I668 HydrophobicContact CB-CG1 3.48Å; A574-I668 VanDerWaalsContact CB-CG1 3.48Å; V666-I668 PolarHBondContact O-N 2.8Å; I668-A698 HydrophobicContact CD1-CB 3.82Å; I668-A702 HydrophobicContact CB-CB 4.12Å; I668-A702 HydrophobicContact CG2-CB 3.64Å | ||
| 669 | T | 84.6 | Confident | 80.5 | Confident | 97 Ų | 97 | 44.3 Ų | 44.3 | 60% | 0.595 | 25% | 0.25 | S | C | * | . | trans | -114.8 | 142.6 | 169.6 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | L570 N667 | L570-T669 WeakPolarHBondContact CD1-O 3.44Å; N667-T669 PolarHBondContact O-N 2.88Å | ||
| 670 | V | 87.4 | Confident | 81.1 | Confident | 26 Ų | 26 | 43 Ų | 43 | 16% | 0.158 | 24% | 0.243 | C | C | . | . | trans | -79.6 | 129.1 | 179.3 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | L567 Y674 A702 L703 L706 | L567-V670 HydrophobicContact CD1-CG2 4.12Å; L567-V670 HydrophobicContact CD2-CG1 4.35Å; L567-V670 HydrophobicContact CD2-CG2 4.28Å; V670-Y674 HydrophobicContact CG1-CD2 3.56Å; V670-Y674 HydrophobicContact CG1-CE2 4.26Å; V670-Y674 HydrophobicContact CG1-CG 3.91Å; V670-A702 HydrophobicContact CG2-CB 4.12Å; V670-A702 WeakPolarHBondContact CG2-O 3.48Å; V670-L703 HydrophobicContact CG2-CD2 4.3Å; V670-L706 HydrophobicContact CB-CB 4.43Å; V670-L706 HydrophobicContact CB-CD2 3.74Å; V670-L706 HydrophobicContact CG1-CD2 3.56Å; V670-L706 HydrophobicContact CG2-CB 4.1Å; V670-L706 HydrophobicContact CG2-CD2 4.1Å | ||
| 671 | P | 88.7 | Confident | 81.8 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 13% | 0.13 | 22% | 0.215 | C | C | . | . | trans | -61 | 142.4 | -178 | -23.6 | 33.2 | 0 | 0 | 0 | 113 | A563 Q566 L570 G673 Y674 | A563-P671 HydrophobicContact CB-CB 4.07Å; Q566-P671 HydrophobicContact CB-CB 4.46Å; Q566-P671 HydrophobicContact CB-CG 3.67Å; L570-P671 HydrophobicContact CD1-CG 4.11Å; P671-G673 PolarHBondContact O-N 2.99Å; P671-G673 VanDerWaalsContact O-N 3.09Å; P671-Y674 VanDerWaalsContact O-CB 3.3Å; P671-Y674 WeakPolarHBondContact O-CB 3.2Å; P671-Y674 PolarHBondContact O-N 3.01Å; P671-Y674 VanDerWaalsContact O-N 3.08Å | ||
| 672 | S | 83.2 | Confident | 82.6 | Confident | 87 Ų | 87 | 33.3 Ų | 33.3 | 61% | 0.608 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -59 | -25.6 | -178.5 | 53.8 | 0 | 0 | 0 | 0 | 114 | Y674 L675 | S672-Y674 PolarHBondContact O-N 2.91Å; S672-Y674 VanDerWaalsContact O-N 3.08Å; S672-L675 PolarHBondContact O-N 3.37Å |
| 673 | G | 83 | Confident | 83.7 | Confident | 15 Ų | 15 | 33 Ų | 33 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -55.1 | -24 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | I560 P671 L675 T676 | I560-G673 WeakPolarHBondContact CG1-O 3.43Å; P671-G673 PolarHBondContact O-N 2.99Å; P671-G673 VanDerWaalsContact O-N 3.09Å; G673-L675 PolarHBondContact O-N 3.37Å; G673-T676 PolarHBondContact O-OG1 3.02Å |
| 674 | Y | 86.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -66.4 | -21.7 | 176.1 | -136.5 | -66.4 | 0 | 0 | 0 | 113 | I560 A563 V564 L567 V670 P671 S672 G680 I683 L684 H687 L703 | I560-Y674 HydrophobicContact CG2-CD1 4.39Å; A563-Y674 HydrophobicContact CB-CD2 4.04Å; A563-Y674 HydrophobicContact CB-CG 4.41Å; V564-Y674 HydrophobicContact CG2-CD2 4.41Å; V564-Y674 HydrophobicContact CG2-CE2 3.56Å; L567-Y674 HydrophobicContact CD2-CE2 4.3Å; V670-Y674 HydrophobicContact CG1-CD2 3.56Å; V670-Y674 HydrophobicContact CG1-CE2 4.26Å; V670-Y674 HydrophobicContact CG1-CG 3.91Å; P671-Y674 VanDerWaalsContact O-CB 3.3Å; P671-Y674 WeakPolarHBondContact O-CB 3.2Å; P671-Y674 PolarHBondContact O-N 3.01Å; P671-Y674 VanDerWaalsContact O-N 3.08Å; S672-Y674 PolarHBondContact O-N 2.91Å; S672-Y674 VanDerWaalsContact O-N 3.08Å; Y674-G680 WeakPolarHBondContact CE1-O 3.44Å; Y674-G680 WeakPolarHBondContact O-CA 3.27Å; Y674-I683 HydrophobicContact CE1-CB 4.42Å; Y674-I683 HydrophobicContact CE1-CG2 4.25Å; Y674-L684 HydrophobicContact CD1-CB 4.41Å; Y674-L684 HydrophobicContact CE1-CB 3.78Å; Y674-L684 HydrophobicContact CE1-CG 4.48Å; Y674-H687 AromaticContact CZ-ND1 3.93Å; Y674-H687 WeakPolarHBondContact OH-CB 3.48Å; Y674-H687 PolarHBondContact OH-ND1 2.98Å; Y674-L703 HydrophobicContact CE2-CD2 4.14Å |
| 675 | L | 84.7 | Confident | 85.8 | Confident | 15 Ų | 15 | 25.1 Ų | 25.1 | 8% | 0.079 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -101.4 | 0.5 | -173 | -56.1 | -173.1 | 0 | 0 | 0 | 114.3 | S672 G673 H677 Y681 L706 L710 | S672-L675 PolarHBondContact O-N 3.37Å; G673-L675 PolarHBondContact O-N 3.37Å; L675-H677 VanDerWaalsContact C-N 3.25Å; L675-H677 PolarHBondContact O-N 3.42Å; L675-Y681 HydrophobicContact CD2-CD1 4.44Å; L675-Y681 HydrophobicContact CD2-CE1 3.8Å; L675-L706 HydrophobicContact CD1-CD1 4.25Å; L675-L706 HydrophobicContact CD2-CD1 4.2Å; L675-L706 HydrophobicContact CD2-CD2 3.99Å; L675-L706 HydrophobicContact CD2-CG 4.44Å; L675-L710 HydrophobicContact CD1-CD2 4.34Å; L675-L710 HydrophobicContact CD2-CD1 4.13Å; L675-L710 HydrophobicContact CD2-CD2 4.05Å |
| 676 | T | 82.8 | Confident | 86.8 | Confident | 28 Ų | 28 | 23.2 Ų | 23.2 | 17% | 0.172 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -66.6 | -18.6 | -169.2 | 51.9 | 0 | 0 | 0 | 0 | 115.2 | L549 H559 G673 | L549-T676 WeakPolarHBondContact CD2-O 3.44Å; H559-T676 HydrophobicContact CB-CG2 3.98Å; H559-T676 WeakPolarHBondContact CB-OG1 3.31Å; G673-T676 PolarHBondContact O-OG1 3.02Å |
| 677 | H | 85.9 | Confident | 88.1 | Confident | 9 Ų | 9 | 21.6 Ų | 21.6 | 4% | 0.042 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -154.2 | 149.8 | -179.8 | -174.7 | -94.7 | 0 | 0 | 0 | 110.3 | L549 A555 I560 L675 I679 G680 | L549-H677 PolarHBondContact O-CD2 3.17Å; L549-H677 VanDerWaalsContact O-CD2 3.27Å; A555-H677 HydrophobicContact CB-CB 3.45Å; A555-H677 VanDerWaalsContact CB-CB 3.45Å; I560-H677 HydrophobicContact CD1-CB 4.33Å; L675-H677 VanDerWaalsContact C-N 3.25Å; L675-H677 PolarHBondContact O-N 3.42Å; H677-I679 HydrophobicContact CB-CG2 4.16Å; H677-I679 VanDerWaalsContact ND1-CG2 3.25Å; H677-I679 WeakPolarHBondContact ND1-CG2 3.43Å; H677-I679 PolarHBondContact ND1-N 3.25Å; H677-I679 PolarHBondContact O-N 2.83Å; H677-G680 PolarHBondContact O-N 3.49Å |
| 678 | P | 85.9 | Confident | 89 | Confident | 13 Ų | 13 | 16.2 Ų | 16.2 | 8% | 0.084 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -44.5 | -33.8 | 176.6 | -34.1 | 34.4 | 0 | 0 | 0 | 116.4 | P305 F308 L505 G680 Y681 V755 | P305-P678 HydrophobicContact CG-CB 3.97Å; F308-P678 WeakPolarHBondContact CZ-O 3.19Å; L505-P678 HydrophobicContact CB-CB 4.48Å; L505-P678 HydrophobicContact CD2-CB 4.11Å; P678-G680 PolarHBondContact O-N 2.99Å; P678-Y681 WeakPolarHBondContact O-CB 3.19Å; P678-Y681 WeakPolarHBondContact O-CD2 3.5Å; P678-Y681 PolarHBondContact O-N 3.23Å; P678-Y681 VanDerWaalsContact O-N 3.09Å; P678-V755 HydrophobicContact CB-CG1 4.41Å; P678-V755 HydrophobicContact CG-CG1 4.18Å; P678-V755 HydrophobicContact CG-CG2 4.01Å |
| 679 | I | 89.9 | Confident | 89.4 | Confident | 2 Ų | 2 | 15.7 Ų | 15.7 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.7 | -25.7 | 177.7 | -166 | 62.2 | 0 | 0 | 0 | 113 | L497 L505 L556 I560 H677 Y681 L682 I683 | L497-I679 HydrophobicContact CD2-CD1 4.03Å; L497-I679 HydrophobicContact CD2-CG1 4.4Å; L497-I679 HydrophobicContact CG-CD1 4.28Å; L505-I679 HydrophobicContact CD1-CB 4.23Å; L505-I679 HydrophobicContact CD1-CD1 3.88Å; L505-I679 HydrophobicContact CD1-CG1 4.45Å; L505-I679 HydrophobicContact CD2-CB 4.17Å; L505-I679 HydrophobicContact CD2-CD1 4.01Å; L556-I679 HydrophobicContact CB-CG2 4.32Å; L556-I679 HydrophobicContact CD1-CB 4.44Å; L556-I679 HydrophobicContact CD1-CG1 3.53Å; L556-I679 HydrophobicContact CD1-CG2 4.01Å; I560-I679 HydrophobicContact CD1-CG2 3.45Å; I560-I679 VanDerWaalsContact CD1-CG2 3.45Å; H677-I679 HydrophobicContact CB-CG2 4.16Å; H677-I679 VanDerWaalsContact ND1-CG2 3.25Å; H677-I679 WeakPolarHBondContact ND1-CG2 3.43Å; H677-I679 PolarHBondContact ND1-N 3.25Å; H677-I679 PolarHBondContact O-N 2.83Å; I679-Y681 VanDerWaalsContact C-N 3.3Å; I679-Y681 PolarHBondContact O-N 2.95Å; I679-L682 HydrophobicContact CD1-CB 4.05Å; I679-L682 HydrophobicContact CD1-CD2 3.61Å; I679-L682 HydrophobicContact CD1-CG 4.49Å; I679-L682 WeakPolarHBondContact O-CB 3.25Å; I679-L682 PolarHBondContact O-N 3.39Å; I679-L682 VanDerWaalsContact O-N 3.08Å; I679-I683 WeakPolarHBondContact O-CG1 3.23Å; I679-I683 PolarHBondContact O-N 3.23Å |
| 680 | G | 90.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.6 | -35.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y674 H677 P678 L682 I683 L684 | Y674-G680 WeakPolarHBondContact CE1-O 3.44Å; Y674-G680 WeakPolarHBondContact O-CA 3.27Å; H677-G680 PolarHBondContact O-N 3.49Å; P678-G680 PolarHBondContact O-N 2.99Å; G680-L682 VanDerWaalsContact C-N 3.32Å; G680-L682 PolarHBondContact O-N 2.93Å; G680-I683 PolarHBondContact O-N 3.35Å; G680-L684 WeakPolarHBondContact O-CB 3.44Å; G680-L684 PolarHBondContact O-N 3.05Å |
| 681 | Y | 92.1 | Very high | 89.9 | Confident | 8 Ų | 8 | 10 Ų | 10 | 3% | 0.031 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.7 | -28.7 | 172.6 | -55.9 | -52.7 | 0 | 0 | 0 | 113.1 | F308 L675 P678 I679 Q685 L710 L745 V755 F757 | F308-Y681 HydrophobicContact CE2-CD2 4.22Å; F308-Y681 HydrophobicContact CZ-CD2 4.04Å; F308-Y681 HydrophobicContact CZ-CG 4.26Å; L675-Y681 HydrophobicContact CD2-CD1 4.44Å; L675-Y681 HydrophobicContact CD2-CE1 3.8Å; P678-Y681 WeakPolarHBondContact O-CB 3.19Å; P678-Y681 WeakPolarHBondContact O-CD2 3.5Å; P678-Y681 PolarHBondContact O-N 3.23Å; P678-Y681 VanDerWaalsContact O-N 3.09Å; I679-Y681 VanDerWaalsContact C-N 3.3Å; I679-Y681 PolarHBondContact O-N 2.95Å; Y681-Q685 VanDerWaalsContact O-CG 3.31Å; Y681-Q685 WeakPolarHBondContact O-CG 3.39Å; Y681-Q685 PolarHBondContact O-N 2.99Å; Y681-Q685 PolarHBondContact O-NE2 2.89Å; Y681-L710 HydrophobicContact CD1-CD1 3.64Å; Y681-L710 HydrophobicContact CE1-CD1 3.5Å; Y681-L710 VanDerWaalsContact CE1-CD1 3.5Å; Y681-L710 HydrophobicContact CE1-CD2 3.64Å; Y681-L710 HydrophobicContact CE1-CG 4.15Å; Y681-L745 VanDerWaalsContact OH-CD1 3.29Å; Y681-L745 WeakPolarHBondContact OH-CD1 3.47Å; Y681-V755 HydrophobicContact CD2-CG1 3.97Å; Y681-V755 HydrophobicContact CE2-CB 4Å; Y681-V755 HydrophobicContact CE2-CG1 3.58Å; Y681-F757 AromaticContact CD1-CD2 3.93Å; Y681-F757 HydrophobicContact CD1-CD2 3.93Å; Y681-F757 HydrophobicContact CG-CD2 4.13Å |
| 682 | L | 92.8 | Very high | 90 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -71.1 | -47.2 | 173.4 | -167.3 | 77.5 | 0 | 0 | 0 | 110.3 | F308 V463 L497 L501 I679 G680 L684 Q685 Y686 | F308-L682 HydrophobicContact CD1-CD1 4.16Å; F308-L682 HydrophobicContact CE1-CB 4.16Å; F308-L682 HydrophobicContact CE1-CD1 4.26Å; V463-L682 HydrophobicContact CG1-CD2 4.2Å; L497-L682 HydrophobicContact CD1-CD2 4.16Å; L501-L682 HydrophobicContact CD1-CD2 3.46Å; L501-L682 VanDerWaalsContact CD1-CD2 3.46Å; I679-L682 HydrophobicContact CD1-CB 4.05Å; I679-L682 HydrophobicContact CD1-CD2 3.61Å; I679-L682 HydrophobicContact CD1-CG 4.49Å; I679-L682 WeakPolarHBondContact O-CB 3.25Å; I679-L682 PolarHBondContact O-N 3.39Å; I679-L682 VanDerWaalsContact O-N 3.08Å; G680-L682 VanDerWaalsContact C-N 3.32Å; G680-L682 PolarHBondContact O-N 2.93Å; L682-L684 VanDerWaalsContact C-N 3.26Å; L682-L684 PolarHBondContact O-N 3.39Å; L682-Q685 PolarHBondContact O-N 3.41Å; L682-Y686 HydrophobicContact CD1-CD2 4.47Å; L682-Y686 HydrophobicContact CD1-CE2 3.84Å; L682-Y686 HydrophobicContact CD2-CE2 4.39Å; L682-Y686 HydrophobicContact CG-CD2 4.08Å; L682-Y686 HydrophobicContact CG-CE2 3.85Å; L682-Y686 WeakPolarHBondContact O-CD2 3.47Å; L682-Y686 PolarHBondContact O-N 3.46Å |
| 683 | I | 94.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.8 | -36.3 | 175.7 | -60.9 | -68.1 | 0 | 0 | 0 | 110.4 | C467 L497 L556 I560 V564 Y674 I679 G680 Q685 H687 | C467-I683 HydrophobicContact CB-CD1 4.17Å; L497-I683 HydrophobicContact CD2-CD1 4.14Å; L556-I683 HydrophobicContact CD1-CD1 3.94Å; L556-I683 HydrophobicContact CD1-CG1 3.7Å; I560-I683 HydrophobicContact CG2-CB 4.31Å; I560-I683 HydrophobicContact CG2-CG1 4.4Å; I560-I683 HydrophobicContact CG2-CG2 4.33Å; V564-I683 HydrophobicContact CG2-CG2 4.14Å; Y674-I683 HydrophobicContact CE1-CB 4.42Å; Y674-I683 HydrophobicContact CE1-CG2 4.25Å; I679-I683 WeakPolarHBondContact O-CG1 3.23Å; I679-I683 PolarHBondContact O-N 3.23Å; G680-I683 PolarHBondContact O-N 3.35Å; I683-Q685 PolarHBondContact O-N 2.88Å; I683-H687 WeakPolarHBondContact O-CB 3.37Å; I683-H687 PolarHBondContact O-N 3.33Å |
| 684 | L | 94.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.7 | -48.1 | 174.8 | -171.3 | 155.6 | 0 | 0 | 0 | 111.5 | Y674 G680 L682 H687 C688 L703 L706 A707 L710 F757 | Y674-L684 HydrophobicContact CD1-CB 4.41Å; Y674-L684 HydrophobicContact CE1-CB 3.78Å; Y674-L684 HydrophobicContact CE1-CG 4.48Å; G680-L684 WeakPolarHBondContact O-CB 3.44Å; G680-L684 PolarHBondContact O-N 3.05Å; L682-L684 VanDerWaalsContact C-N 3.26Å; L682-L684 PolarHBondContact O-N 3.39Å; L684-H687 PolarHBondContact O-N 3.29Å; L684-C688 PolarHBondContact O-N 3.26Å; L684-C688 PolarHBondContact O-SG 3.43Å; L684-L703 HydrophobicContact CG-CD2 4.31Å; L684-L706 HydrophobicContact CD1-CB 4.3Å; L684-L706 HydrophobicContact CD1-CD2 3.48Å; L684-L706 VanDerWaalsContact CD1-CD2 3.48Å; L684-L706 HydrophobicContact CD1-CG 3.81Å; L684-A707 HydrophobicContact CD2-CB 4.1Å; L684-L710 HydrophobicContact CD1-CD1 4.09Å; L684-F757 HydrophobicContact CD2-CE2 3.98Å; L684-F757 HydrophobicContact CD2-CZ 4.02Å |
| 685 | Q | 94.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.8 | -48.8 | -178.2 | -73.7 | 171.1 | 71.9 | 0 | 0 | 111.9 | Y681 L682 I683 C688 L689 F757 R758 W759 V763 | Y681-Q685 VanDerWaalsContact O-CG 3.31Å; Y681-Q685 WeakPolarHBondContact O-CG 3.39Å; Y681-Q685 PolarHBondContact O-N 2.99Å; Y681-Q685 PolarHBondContact O-NE2 2.89Å; L682-Q685 PolarHBondContact O-N 3.41Å; I683-Q685 PolarHBondContact O-N 2.88Å; Q685-C688 PolarHBondContact O-N 2.98Å; Q685-L689 PolarHBondContact O-N 3.02Å; Q685-F757 HydrophobicContact CG-CE2 3.83Å; Q685-F757 HydrophobicContact CG-CZ 3.75Å; Q685-R758 PolarHBondContact NE2-O 3.25Å; Q685-R758 VanDerWaalsContact NE2-O 3.16Å; Q685-R758 PolarHBondContact OE1-O 2.95Å; Q685-W759 HydrophobicContact CB-CE3 4.29Å; Q685-W759 HydrophobicContact CB-CZ3 4.23Å; Q685-W759 HydrophobicContact CG-CE3 3.77Å; Q685-W759 HydrophobicContact CG-CZ3 4Å; Q685-V763 HydrophobicContact CB-CG1 4.18Å; Q685-V763 WeakPolarHBondContact O-CG1 3.49Å |
| 686 | Y | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -75.8 | -25.9 | 178.8 | -65.3 | -60.9 | 0 | 0 | 0 | 113.5 | V463 Y464 C467 L682 L689 F690 R760 V763 | V463-Y686 HydrophobicContact CG1-CD2 4.33Å; V463-Y686 HydrophobicContact CG1-CE2 3.45Å; V463-Y686 VanDerWaalsContact CG1-CE2 3.45Å; Y464-Y686 AromaticContact CD2-CD1 3.53Å; Y464-Y686 HydrophobicContact CD2-CD1 3.53Å; Y464-Y686 HydrophobicContact CD2-CE1 4.2Å; Y464-Y686 HydrophobicContact CD2-CG 4.19Å; Y464-Y686 HydrophobicContact CE2-CD1 4.44Å; Y464-Y686 HydrophobicContact CG-CD1 4.26Å; C467-Y686 HydrophobicContact CB-CD2 4Å; C467-Y686 HydrophobicContact CB-CG 4.17Å; L682-Y686 HydrophobicContact CD1-CD2 4.47Å; L682-Y686 HydrophobicContact CD1-CE2 3.84Å; L682-Y686 HydrophobicContact CD2-CE2 4.39Å; L682-Y686 HydrophobicContact CG-CD2 4.08Å; L682-Y686 HydrophobicContact CG-CE2 3.85Å; L682-Y686 WeakPolarHBondContact O-CD2 3.47Å; L682-Y686 PolarHBondContact O-N 3.46Å; Y686-L689 PolarHBondContact O-N 3.14Å; Y686-F690 WeakPolarHBondContact O-CB 3.34Å; Y686-F690 PolarHBondContact O-N 3.31Å; Y686-R760 PolarHBondContact OH-NE 3.07Å; Y686-R760 VanDerWaalsContact OH-NE 3.12Å; Y686-V763 HydrophobicContact CD1-CG2 3.79Å; Y686-V763 HydrophobicContact CE1-CG2 3.35Å |
| 687 | H | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69 | -38.5 | 171.9 | -165.8 | -177.2 | 0 | 0 | 0 | 111.3 | I471 Y674 I683 L684 L689 F690 C691 L703 | I471-H687 HydrophobicContact CD1-CB 3.7Å; Y674-H687 AromaticContact CZ-ND1 3.93Å; Y674-H687 WeakPolarHBondContact OH-CB 3.48Å; Y674-H687 PolarHBondContact OH-ND1 2.98Å; I683-H687 WeakPolarHBondContact O-CB 3.37Å; I683-H687 PolarHBondContact O-N 3.33Å; L684-H687 PolarHBondContact O-N 3.29Å; H687-L689 VanDerWaalsContact C-N 3.29Å; H687-L689 PolarHBondContact O-N 2.95Å; H687-F690 WeakPolarHBondContact O-CB 3.39Å; H687-F690 PolarHBondContact O-N 2.74Å; H687-F690 VanDerWaalsContact O-N 3.17Å; H687-C691 PolarHBondContact CD2-SG 2.88Å; H687-C691 PolarHBondContact O-N 3.27Å; H687-C691 PolarHBondContact O-SG 2.92Å; H687-L703 HydrophobicContact CB-CD1 3.97Å |
| 688 | C | 94.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -56.2 | -45.4 | 170.5 | -67.1 | 0 | 0 | 0 | 0 | 111.5 | L684 Q685 L692 L700 L703 W759 L767 | L684-C688 PolarHBondContact O-N 3.26Å; L684-C688 PolarHBondContact O-SG 3.43Å; Q685-C688 PolarHBondContact O-N 2.98Å; C688-L692 WeakPolarHBondContact O-CB 3.18Å; C688-L692 PolarHBondContact O-N 3.5Å; C688-L692 VanDerWaalsContact O-N 3.08Å; C688-L700 HydrophobicContact CB-CD1 3.87Å; C688-L700 WeakPolarHBondContact O-CD1 3.37Å; C688-L703 WeakPolarHBondContact SG-CB 3.49Å; C688-W759 HydrophobicContact CB-CH2 4.12Å; C688-W759 HydrophobicContact CB-CZ3 4.32Å; C688-L767 HydrophobicContact CB-CD1 3.86Å |
| 689 | L | 91 | Very high | 91.1 | Very high | 9 Ų | 9 | 20 Ų | 20 | 5% | 0.047 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.7 | -37.8 | 177.3 | -173.6 | 59.1 | 0 | 0 | 0 | 112.2 | L203 Y464 Q685 Y686 H687 L692 E693 A766 | L203-L689 HydrophobicContact CD1-CD2 3.6Å; Y464-L689 HydrophobicContact CD2-CD2 4.1Å; Y464-L689 HydrophobicContact CE2-CB 4.27Å; Y464-L689 HydrophobicContact CE2-CD2 3.65Å; Y464-L689 HydrophobicContact CE2-CG 3.95Å; Q685-L689 PolarHBondContact O-N 3.02Å; Y686-L689 PolarHBondContact O-N 3.14Å; H687-L689 VanDerWaalsContact C-N 3.29Å; H687-L689 PolarHBondContact O-N 2.95Å; L689-L692 PolarHBondContact O-N 3.36Å; L689-E693 WeakPolarHBondContact O-CG 3.4Å; L689-E693 PolarHBondContact O-N 3Å; L689-A766 HydrophobicContact CD1-CB 3.84Å; L689-A766 HydrophobicContact CD2-CB 4.2Å |
| 690 | F | 91.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.018 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.4 | -46.1 | 175.4 | -175.8 | -107.9 | 0 | 0 | 0 | 113 | T468 I471 R472 L475 Y686 H687 L692 E693 R694 | T468-F690 HydrophobicContact CG2-CB 4.08Å; T468-F690 HydrophobicContact CG2-CD2 3.64Å; T468-F690 HydrophobicContact CG2-CE2 4.5Å; T468-F690 HydrophobicContact CG2-CG 4.22Å; I471-F690 HydrophobicContact CB-CD1 4.5Å; I471-F690 HydrophobicContact CB-CE1 4.38Å; I471-F690 HydrophobicContact CG2-CD1 3.73Å; I471-F690 HydrophobicContact CG2-CE1 3.5Å; I471-F690 HydrophobicContact CG2-CZ 4.2Å; R472-F690 HydrophobicContact CG-CE2 3.95Å; R472-F690 HydrophobicContact CG-CZ 3.74Å; L475-F690 HydrophobicContact CD1-CE1 3.91Å; L475-F690 HydrophobicContact CD1-CZ 4.44Å; Y686-F690 WeakPolarHBondContact O-CB 3.34Å; Y686-F690 PolarHBondContact O-N 3.31Å; H687-F690 WeakPolarHBondContact O-CB 3.39Å; H687-F690 PolarHBondContact O-N 2.74Å; H687-F690 VanDerWaalsContact O-N 3.17Å; F690-L692 VanDerWaalsContact C-N 3.26Å; F690-L692 PolarHBondContact O-N 2.97Å; F690-E693 PolarHBondContact O-N 3.21Å; F690-R694 VanDerWaalsContact CE1-CD 3.46Å; F690-R694 PolarHBondContact O-N 2.57Å |
| 691 | C | 91.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.2 | -35 | 175.1 | -61.6 | 0 | 0 | 0 | 0 | 111.5 | H687 R694 N695 E696 L700 | H687-C691 PolarHBondContact CD2-SG 2.88Å; H687-C691 PolarHBondContact O-N 3.27Å; H687-C691 PolarHBondContact O-SG 2.92Å; C691-R694 CarbonylContact O-C 3.59Å; C691-R694 PolarHBondContact O-N 3.19Å; C691-N695 PolarHBondContact O-N 3.31Å; C691-E696 HydrophobicContact CB-CB 4.11Å; C691-E696 PolarHBondContact O-N 3.08Å; C691-L700 HydrophobicContact CB-CB 3.96Å |
| 692 | L | 89.3 | Confident | 91.3 | Very high | 23 Ų | 23 | 21.7 Ų | 21.7 | 12% | 0.12 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69 | -38.4 | 175.5 | -173.2 | 58.8 | 0 | 0 | 0 | 112.4 | C688 L689 F690 R694 L700 L767 I771 L774 | C688-L692 WeakPolarHBondContact O-CB 3.18Å; C688-L692 PolarHBondContact O-N 3.5Å; C688-L692 VanDerWaalsContact O-N 3.08Å; L689-L692 PolarHBondContact O-N 3.36Å; F690-L692 VanDerWaalsContact C-N 3.26Å; F690-L692 PolarHBondContact O-N 2.97Å; L692-R694 VanDerWaalsContact C-N 3.27Å; L692-R694 PolarHBondContact O-N 2.85Å; L692-L700 HydrophobicContact CB-CD2 4.18Å; L692-L700 HydrophobicContact CD1-CD2 3.95Å; L692-L767 HydrophobicContact CD2-CD1 3.79Å; L692-L767 HydrophobicContact CD2-CG 4.12Å; L692-I771 HydrophobicContact CD1-CG1 4.17Å; L692-I771 HydrophobicContact CD2-CG1 4.16Å; L692-L774 HydrophobicContact CD1-CD1 4.29Å |
| 693 | E | 86.3 | Confident | 91.4 | Very high | 94 Ų | 94 | 21.7 Ų | 21.7 | 44% | 0.439 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -66.3 | -28.4 | 171.6 | -65.7 | -145 | 143.7 | 0 | 0 | 112.9 | R359 Y464 L689 F690 | R359-E693 IonicContact CZ-OE1 3.79Å; R359-E693 IonicContact NH1-OE1 2.58Å; R359-E693 PolarHBondContact NH1-OE1 2.97Å; R359-E693 IonicContact NH1-OE2 2.74Å; R359-E693 PolarHBondContact NH1-OE2 2.96Å; Y464-E693 VanDerWaalsContact OH-CD 3.25Å; Y464-E693 PolarHBondContact OH-OE2 3.49Å; L689-E693 WeakPolarHBondContact O-CG 3.4Å; L689-E693 PolarHBondContact O-N 3Å; F690-E693 PolarHBondContact O-N 3.21Å |
| 694 | R | 86 | Confident | 91.4 | Very high | 109 Ų | 109 | 21.7 Ų | 21.7 | 41% | 0.411 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 1.5 | -177.8 | -70 | 179.4 | 54.9 | 74.5 | 7.9 | 115 | F690 C691 L692 E696 | F690-R694 VanDerWaalsContact CE1-CD 3.46Å; F690-R694 PolarHBondContact O-N 2.57Å; C691-R694 CarbonylContact O-C 3.59Å; C691-R694 PolarHBondContact O-N 3.19Å; L692-R694 VanDerWaalsContact C-N 3.27Å; L692-R694 PolarHBondContact O-N 2.85Å; R694-E696 HydrophobicContact CB-CG 4.02Å; R694-E696 IonicContact CZ-OE1 2.8Å; R694-E696 IonicContact NE-OE1 2.77Å; R694-E696 PolarHBondContact NE-OE1 3.17Å; R694-E696 IonicContact NH2-OE1 3.22Å; R694-E696 PolarHBondContact NH2-OE1 3.02Å; R694-E696 PolarHBondContact O-N 3.18Å |
| 695 | N | 87.2 | Confident | 91.3 | Very high | 75 Ų | 75 | 25.7 Ų | 25.7 | 40% | 0.401 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.5 | 25.4 | -173.2 | -159.2 | 32.8 | 0 | 0 | 0 | 114.1 | C691 L697 | C691-N695 PolarHBondContact O-N 3.31Å; N695-L697 PolarHBondContact O-N 2.99Å; N695-L697 WeakPolarHBondContact OD1-CG 3.25Å |
| 696 | E | 89.2 | Confident | 91.2 | Very high | 32 Ų | 32 | 26.8 Ų | 26.8 | 15% | 0.15 | 13% | 0.129 | C | C | . | . | trans | -81.4 | 62.2 | 178.3 | -68.4 | -177.9 | -155.1 | 0 | 0 | 110.3 | Q568 C691 R694 A698 T699 L700 | Q568-E696 PolarHBondContact NE2-OE2 3.46Å; C691-E696 HydrophobicContact CB-CB 4.11Å; C691-E696 PolarHBondContact O-N 3.08Å; R694-E696 HydrophobicContact CB-CG 4.02Å; R694-E696 IonicContact CZ-OE1 2.8Å; R694-E696 IonicContact NE-OE1 2.77Å; R694-E696 PolarHBondContact NE-OE1 3.17Å; R694-E696 IonicContact NH2-OE1 3.22Å; R694-E696 PolarHBondContact NH2-OE1 3.02Å; R694-E696 PolarHBondContact O-N 3.18Å; E696-A698 VanDerWaalsContact C-N 3.27Å; E696-A698 PolarHBondContact O-N 3.3Å; E696-T699 PolarHBondContact O-N 3.42Å; E696-L700 PolarHBondContact O-N 3.38Å | ||
| 697 | L | 88.2 | Confident | 91.1 | Very high | 33 Ų | 33 | 26.8 Ų | 26.8 | 17% | 0.173 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.6 | -29.2 | -168 | -57.2 | -174.8 | 0 | 0 | 0 | 113.7 | N695 L700 R701 L774 V865 L870 | N695-L697 PolarHBondContact O-N 2.99Å; N695-L697 WeakPolarHBondContact OD1-CG 3.25Å; L697-L700 HydrophobicContact CD2-CD2 4.34Å; L697-R701 WeakPolarHBondContact O-CB 3.37Å; L697-R701 PolarHBondContact O-N 2.97Å; L697-L774 HydrophobicContact CD2-CD1 4.2Å; L697-L774 HydrophobicContact CD2-CD2 4.47Å; L697-V865 HydrophobicContact CB-CB 4.03Å; L697-V865 HydrophobicContact CB-CG1 3.89Å; L697-L870 HydrophobicContact CD2-CD1 4.11Å |
| 698 | A | 88.4 | Confident | 90.8 | Very high | 31 Ų | 31 | 27.4 Ų | 27.4 | 26% | 0.256 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -66.9 | -47.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T571 I668 E696 R701 A702 | T571-A698 HydrophobicContact CG2-CB 4.06Å; I668-A698 HydrophobicContact CD1-CB 3.82Å; E696-A698 VanDerWaalsContact C-N 3.27Å; E696-A698 PolarHBondContact O-N 3.3Å; A698-R701 PolarHBondContact O-N 3.03Å; A698-A702 PolarHBondContact O-N 3.21Å; A698-A702 VanDerWaalsContact O-N 3.08Å |
| 699 | T | 91.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 174 | -43.4 | 0 | 0 | 0 | 0 | 110.9 | L567 T571 E696 R701 A702 L703 | L567-T699 HydrophobicContact CD2-CG2 3.88Å; L567-T699 HydrophobicContact CG-CG2 4.03Å; T571-T699 VanDerWaalsContact CG2-OG1 3.3Å; T571-T699 WeakPolarHBondContact CG2-OG1 3.34Å; T571-T699 PolarHBondContact OG1-OG1 2.87Å; E696-T699 PolarHBondContact O-N 3.42Å; T699-R701 VanDerWaalsContact C-N 3.34Å; T699-R701 PolarHBondContact O-N 2.94Å; T699-A702 PolarHBondContact O-N 3.48Å; T699-L703 HydrophobicContact CG2-CD1 4.2Å; T699-L703 WeakPolarHBondContact O-CG 3.48Å; T699-L703 PolarHBondContact O-N 3.44Å |
| 700 | L | 93.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.9 | -44.3 | 174.9 | 177.1 | 59.2 | 0 | 0 | 0 | 112 | C688 C691 L692 E696 L697 A702 L703 L704 L767 L870 | C688-L700 HydrophobicContact CB-CD1 3.87Å; C688-L700 WeakPolarHBondContact O-CD1 3.37Å; C691-L700 HydrophobicContact CB-CB 3.96Å; L692-L700 HydrophobicContact CB-CD2 4.18Å; L692-L700 HydrophobicContact CD1-CD2 3.95Å; E696-L700 PolarHBondContact O-N 3.38Å; L697-L700 HydrophobicContact CD2-CD2 4.34Å; L700-A702 VanDerWaalsContact C-N 3.34Å; L700-A702 PolarHBondContact O-N 2.98Å; L700-L703 PolarHBondContact O-N 2.97Å; L700-L704 HydrophobicContact CD1-CD1 3.94Å; L700-L704 HydrophobicContact CD1-CG 3.99Å; L700-L704 HydrophobicContact CG-CD1 4.05Å; L700-L704 HydrophobicContact CG-CG 4.47Å; L700-L704 WeakPolarHBondContact O-CB 3.39Å; L700-L704 WeakPolarHBondContact O-CG 3.39Å; L700-L704 PolarHBondContact O-N 3.3Å; L700-L767 HydrophobicContact CD1-CD1 4.28Å; L700-L870 HydrophobicContact CD2-CD1 4.02Å; L700-L870 HydrophobicContact CD2-CD2 4.29Å; L700-L870 HydrophobicContact CG-CD2 4.14Å |
| 701 | R | 91.9 | Very high | 89.9 | Confident | 40 Ų | 40 | 31.9 Ų | 31.9 | 15% | 0.151 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 176.5 | -172.7 | 178.2 | -177.8 | -172.5 | -4.8 | 112.1 | L697 A698 T699 K705 S863 V865 N869 L870 L873 | L697-R701 WeakPolarHBondContact O-CB 3.37Å; L697-R701 PolarHBondContact O-N 2.97Å; A698-R701 PolarHBondContact O-N 3.03Å; T699-R701 VanDerWaalsContact C-N 3.34Å; T699-R701 PolarHBondContact O-N 2.94Å; R701-K705 WeakPolarHBondContact O-CB 3.48Å; R701-K705 WeakPolarHBondContact O-CG 3.47Å; R701-K705 PolarHBondContact O-N 3.04Å; R701-S863 PolarHBondContact NH1-O 3.49Å; R701-S863 PolarHBondContact NH1-OG 3.15Å; R701-S863 PolarHBondContact NH2-OG 2.97Å; R701-V865 HydrophobicContact CB-CG1 4.21Å; R701-N869 PolarHBondContact NE-OD1 2.85Å; R701-L870 HydrophobicContact CB-CD2 4.03Å; R701-L873 HydrophobicContact CG-CD1 3.74Å |
| 702 | A | 92.1 | Very high | 89.1 | Confident | 5 Ų | 5 | 36.4 Ų | 36.4 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L567 I668 V670 A698 T699 L700 K705 L706 | L567-A702 HydrophobicContact CD1-CB 4.31Å; I668-A702 HydrophobicContact CB-CB 4.12Å; I668-A702 HydrophobicContact CG2-CB 3.64Å; V670-A702 HydrophobicContact CG2-CB 4.12Å; V670-A702 WeakPolarHBondContact CG2-O 3.48Å; A698-A702 PolarHBondContact O-N 3.21Å; A698-A702 VanDerWaalsContact O-N 3.08Å; T699-A702 PolarHBondContact O-N 3.48Å; L700-A702 VanDerWaalsContact C-N 3.34Å; L700-A702 PolarHBondContact O-N 2.98Å; A702-K705 PolarHBondContact O-N 3.32Å; A702-L706 PolarHBondContact O-N 2.91Å; A702-L706 VanDerWaalsContact O-N 3.07Å |
| 703 | L | 94.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.4 | -38.1 | 176.6 | -66.6 | 167.7 | 0 | 0 | 0 | 112.3 | L567 V670 Y674 L684 H687 C688 T699 L700 L706 A707 | L567-L703 HydrophobicContact CD2-CD1 4.49Å; L567-L703 HydrophobicContact CD2-CD2 3.59Å; L567-L703 HydrophobicContact CD2-CG 3.96Å; V670-L703 HydrophobicContact CG2-CD2 4.3Å; Y674-L703 HydrophobicContact CE2-CD2 4.14Å; L684-L703 HydrophobicContact CG-CD2 4.31Å; H687-L703 HydrophobicContact CB-CD1 3.97Å; C688-L703 WeakPolarHBondContact SG-CB 3.49Å; T699-L703 HydrophobicContact CG2-CD1 4.2Å; T699-L703 WeakPolarHBondContact O-CG 3.48Å; T699-L703 PolarHBondContact O-N 3.44Å; L700-L703 PolarHBondContact O-N 2.97Å; L703-L706 WeakPolarHBondContact O-CB 3.29Å; L703-L706 PolarHBondContact O-N 2.93Å; L703-A707 PolarHBondContact O-N 2.92Å |
| 704 | L | 93.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69 | -41.8 | 174.8 | -72.8 | 177.2 | 0 | 0 | 0 | 112.3 | L700 L706 A707 V708 W759 L767 I771 L870 L873 L874 | L700-L704 HydrophobicContact CD1-CD1 3.94Å; L700-L704 HydrophobicContact CD1-CG 3.99Å; L700-L704 HydrophobicContact CG-CD1 4.05Å; L700-L704 HydrophobicContact CG-CG 4.47Å; L700-L704 WeakPolarHBondContact O-CB 3.39Å; L700-L704 WeakPolarHBondContact O-CG 3.39Å; L700-L704 PolarHBondContact O-N 3.3Å; L704-L706 PolarHBondContact O-N 3.34Å; L704-A707 PolarHBondContact O-N 2.91Å; L704-A707 VanDerWaalsContact O-N 3.15Å; L704-V708 VanDerWaalsContact O-CG2 3.29Å; L704-V708 WeakPolarHBondContact O-CG2 3.34Å; L704-V708 PolarHBondContact O-N 2.95Å; L704-W759 HydrophobicContact CD2-CH2 3.87Å; L704-W759 HydrophobicContact CD2-CZ2 3.74Å; L704-L767 HydrophobicContact CD2-CD2 3.97Å; L704-I771 HydrophobicContact CD1-CD1 4.45Å; L704-L870 HydrophobicContact CD1-CB 4.46Å; L704-L870 HydrophobicContact CD1-CD2 4.06Å; L704-L873 HydrophobicContact CB-CB 3.97Å; L704-L873 HydrophobicContact CB-CD1 4.25Å; L704-L874 HydrophobicContact CD2-CD1 4.44Å |
| 705 | K | 92.8 | Very high | 84 | Confident | 84 Ų | 84 | 37.6 Ų | 37.6 | 37% | 0.365 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -52.9 | -43 | 169.4 | -80.7 | 178.7 | 176.2 | -177 | 0 | 111.2 | R701 A702 V708 T709 L873 | R701-K705 WeakPolarHBondContact O-CB 3.48Å; R701-K705 WeakPolarHBondContact O-CG 3.47Å; R701-K705 PolarHBondContact O-N 3.04Å; A702-K705 PolarHBondContact O-N 3.32Å; K705-V708 WeakPolarHBondContact O-CB 3.3Å; K705-V708 PolarHBondContact O-N 2.77Å; K705-T709 PolarHBondContact O-N 3.08Å; K705-L873 HydrophobicContact CG-CD1 4.18Å; K705-L873 HydrophobicContact CG-CD2 3.95Å |
| 706 | L | 92.5 | Very high | 81.5 | Confident | 23 Ų | 23 | 41.5 Ų | 41.5 | 12% | 0.12 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.2 | -49.2 | 176 | -179.1 | 60.4 | 0 | 0 | 0 | 111.5 | V670 L675 L684 A702 L703 L704 V708 T709 L710 | V670-L706 HydrophobicContact CB-CB 4.43Å; V670-L706 HydrophobicContact CB-CD2 3.74Å; V670-L706 HydrophobicContact CG1-CD2 3.56Å; V670-L706 HydrophobicContact CG2-CB 4.1Å; V670-L706 HydrophobicContact CG2-CD2 4.1Å; L675-L706 HydrophobicContact CD1-CD1 4.25Å; L675-L706 HydrophobicContact CD2-CD1 4.2Å; L675-L706 HydrophobicContact CD2-CD2 3.99Å; L675-L706 HydrophobicContact CD2-CG 4.44Å; L684-L706 HydrophobicContact CD1-CB 4.3Å; L684-L706 HydrophobicContact CD1-CD2 3.48Å; L684-L706 VanDerWaalsContact CD1-CD2 3.48Å; L684-L706 HydrophobicContact CD1-CG 3.81Å; A702-L706 PolarHBondContact O-N 2.91Å; A702-L706 VanDerWaalsContact O-N 3.07Å; L703-L706 WeakPolarHBondContact O-CB 3.29Å; L703-L706 PolarHBondContact O-N 2.93Å; L704-L706 PolarHBondContact O-N 3.34Å; L706-V708 PolarHBondContact O-N 3.08Å; L706-T709 PolarHBondContact O-N 3.33Å; L706-T709 PolarHBondContact O-OG1 3.02Å; L706-L710 HydrophobicContact CD1-CD1 4.3Å; L706-L710 HydrophobicContact CD1-CG 4.23Å; L706-L710 HydrophobicContact CG-CD1 3.96Å; L706-L710 HydrophobicContact CG-CG 4.37Å; L706-L710 WeakPolarHBondContact O-CG 3.38Å; L706-L710 PolarHBondContact O-N 2.96Å |
| 707 | A | 91.6 | Very high | 79.2 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.6 | -37.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | L684 L703 L704 L710 A711 F757 W759 | L684-A707 HydrophobicContact CD2-CB 4.1Å; L703-A707 PolarHBondContact O-N 2.92Å; L704-A707 PolarHBondContact O-N 2.91Å; L704-A707 VanDerWaalsContact O-N 3.15Å; A707-L710 PolarHBondContact O-N 3.09Å; A707-A711 WeakPolarHBondContact O-CB 3.39Å; A707-A711 PolarHBondContact O-N 3.33Å; A707-F757 HydrophobicContact CB-CE1 4Å; A707-F757 HydrophobicContact CB-CZ 4.13Å; A707-W759 HydrophobicContact CB-CZ2 3.9Å |
| 708 | V | 89.5 | Confident | 76.5 | Confident | 13 Ų | 13 | 47.6 Ų | 47.6 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -52.5 | 173.5 | 174 | 0 | 0 | 0 | 0 | 111.4 | L704 K705 L706 L710 A711 Q712 L873 S876 | L704-V708 VanDerWaalsContact O-CG2 3.29Å; L704-V708 WeakPolarHBondContact O-CG2 3.34Å; L704-V708 PolarHBondContact O-N 2.95Å; K705-V708 WeakPolarHBondContact O-CB 3.3Å; K705-V708 PolarHBondContact O-N 2.77Å; L706-V708 PolarHBondContact O-N 3.08Å; V708-L710 VanDerWaalsContact C-N 3.27Å; V708-L710 PolarHBondContact O-N 2.85Å; V708-A711 PolarHBondContact O-N 2.93Å; V708-Q712 HydrophobicContact CG1-CG 4.25Å; V708-Q712 WeakPolarHBondContact O-CB 3.48Å; V708-Q712 WeakPolarHBondContact O-CG 3.25Å; V708-Q712 PolarHBondContact O-N 3.23Å; V708-L873 HydrophobicContact CG2-CB 4.47Å; V708-L873 HydrophobicContact CG2-CD2 4.29Å; V708-L873 WeakPolarHBondContact CG2-O 3.42Å; V708-S876 WeakPolarHBondContact CG2-OG 3.28Å |
| 709 | T | 89.1 | Confident | 73.6 | Confident | 80 Ų | 80 | 52.9 Ų | 52.9 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.9 | -37.7 | 179.4 | 61.2 | 0 | 0 | 0 | 0 | 112.6 | K705 L706 S713 | K705-T709 PolarHBondContact O-N 3.08Å; L706-T709 PolarHBondContact O-N 3.33Å; L706-T709 PolarHBondContact O-OG1 3.02Å; T709-S713 PolarHBondContact O-N 3.09Å; T709-S713 VanDerWaalsContact O-N 3.15Å |
| 710 | L | 87.1 | Confident | 70.8 | Confident | 18 Ų | 18 | 57.6 Ų | 57.6 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 177.9 | -64.8 | 171.3 | 0 | 0 | 0 | 112.2 | L675 Y681 L684 L706 A707 V708 S713 F757 | L675-L710 HydrophobicContact CD1-CD2 4.34Å; L675-L710 HydrophobicContact CD2-CD1 4.13Å; L675-L710 HydrophobicContact CD2-CD2 4.05Å; Y681-L710 HydrophobicContact CD1-CD1 3.64Å; Y681-L710 HydrophobicContact CE1-CD1 3.5Å; Y681-L710 VanDerWaalsContact CE1-CD1 3.5Å; Y681-L710 HydrophobicContact CE1-CD2 3.64Å; Y681-L710 HydrophobicContact CE1-CG 4.15Å; L684-L710 HydrophobicContact CD1-CD1 4.09Å; L706-L710 HydrophobicContact CD1-CD1 4.3Å; L706-L710 HydrophobicContact CD1-CG 4.23Å; L706-L710 HydrophobicContact CG-CD1 3.96Å; L706-L710 HydrophobicContact CG-CG 4.37Å; L706-L710 WeakPolarHBondContact O-CG 3.38Å; L706-L710 PolarHBondContact O-N 2.96Å; A707-L710 PolarHBondContact O-N 3.09Å; V708-L710 VanDerWaalsContact C-N 3.27Å; V708-L710 PolarHBondContact O-N 2.85Å; L710-S713 PolarHBondContact O-OG 2.96Å; L710-F757 HydrophobicContact CB-CB 3.74Å; L710-F757 HydrophobicContact CB-CG 4.17Å; L710-F757 HydrophobicContact CD1-CD2 4.16Å; L710-F757 HydrophobicContact CD1-CG 4.43Å |
| 711 | A | 82.3 | Confident | 67.6 | Low | 9 Ų | 9 | 65.1 Ų | 65.1 | 7% | 0.074 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.6 | -40 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A707 V708 S877 | A707-A711 WeakPolarHBondContact O-CB 3.39Å; A707-A711 PolarHBondContact O-N 3.33Å; V708-A711 PolarHBondContact O-N 2.93Å; A711-S877 WeakPolarHBondContact CB-O 3.41Å |
| 712 | Q | 74.5 | Confident | 64.8 | Low | 94 Ų | 94 | 71.8 Ų | 71.8 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -77.5 | -17.4 | -176.6 | -69.3 | -177.1 | 0.4 | 0 | 0 | 113.9 | V708 R714 V715 S876 | V708-Q712 HydrophobicContact CG1-CG 4.25Å; V708-Q712 WeakPolarHBondContact O-CB 3.48Å; V708-Q712 WeakPolarHBondContact O-CG 3.25Å; V708-Q712 PolarHBondContact O-N 3.23Å; Q712-R714 PolarHBondContact O-N 3.43Å; Q712-V715 PolarHBondContact O-N 3.44Å; Q712-S876 PolarHBondContact NE2-O 3.34Å; Q712-S876 VanDerWaalsContact NE2-O 3.08Å |
| 713 | S | 64.3 | Low | 62 | Low | 46 Ų | 46 | 79.7 Ų | 79.7 | 32% | 0.322 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -19.2 | 174.2 | 71.5 | 0 | 0 | 0 | 0 | 114.5 | T709 L710 | T709-S713 PolarHBondContact O-N 3.09Å; T709-S713 VanDerWaalsContact O-N 3.15Å; L710-S713 PolarHBondContact O-OG 2.96Å |
| 714 | R | 49.9 | Very low | 58.7 | Low | 107 Ų | 107 | 88.9 Ų | 88.9 | 40% | 0.404 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -34.8 | 169.7 | -85.9 | -174.9 | 161.1 | -141 | -7.2 | 114.6 | Q712 I756 | Q712-R714 PolarHBondContact O-N 3.43Å; R714-I756 HydrophobicContact CG-CD1 4.43Å |
| 715 | V | 41.6 | Very low | 55.7 | Low | 99 Ų | 99 | 96.6 Ų | 96.6 | 60% | 0.6 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -82.4 | -39.7 | -163.7 | -175.8 | 0 | 0 | 0 | 0 | 112 | Q712 R717 | Q712-V715 PolarHBondContact O-N 3.44Å; V715-R717 PolarHBondContact O-N 3.33Å; V715-R717 VanDerWaalsContact O-N 3.15Å |
| 716 | N | 33.9 | Very low | 52.6 | Low | 156 Ų | 156 | 102.2 Ų | 102.2 | 83% | 0.834 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -82.8 | 13.7 | -171.9 | -69 | 7.8 | 0 | 0 | 0 | 114.7 | ||
| 717 | R | 39.9 | Very low | 49.5 | Very low | 98 Ų | 98 | 106.2 Ų | 106.2 | 37% | 0.37 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -104.5 | -8.9 | 179.4 | -75.8 | -174.1 | 172.2 | 167.6 | 0.6 | 114.7 | V715 N719 S754 | V715-R717 PolarHBondContact O-N 3.33Å; V715-R717 VanDerWaalsContact O-N 3.15Å; R717-N719 PolarHBondContact O-N 3.03Å; R717-S754 PolarHBondContact NH1-OG 3.07Å |
| 718 | S | 31.6 | Very low | 46.5 | Very low | 96 Ų | 96 | 112.2 Ų | 112.2 | 67% | 0.671 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -98.7 | 57.3 | -178.9 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 719 | N | 28 | Very low | 43.6 | Very low | 141 Ų | 141 | 119 Ų | 119 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | trans | -170.2 | 102.9 | 154 | -113.8 | -3.7 | 0 | 0 | 0 | 112.8 | R717 | R717-N719 PolarHBondContact O-N 3.03Š| ||
| 720 | P | 31.6 | Very low | 40.7 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 65% | 0.649 | 64% | 0.64 | S | S | * | * | trans | -101.4 | 20.8 | 170.6 | 38.4 | -33 | 0 | 0 | 0 | 113.6 | ||||
| 721 | H | 27.2 | Very low | 37.7 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | trans | -131.1 | 96 | 177.5 | -80 | -59.4 | 0 | 0 | 0 | 113 | ||||
| 722 | H | 33.1 | Very low | 35 | Very low | 180 Ų | 180 | 136.7 Ų | 136.7 | 83% | 0.833 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -153.9 | 156 | 134.8 | -108.7 | -54.6 | 0 | 0 | 0 | 110.4 | ||
| 723 | H | 32.1 | Very low | 32.7 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 79% | 0.792 | 72% | 0.721 | S | S | * | * | trans | -51.1 | 139.2 | -159.9 | -74.5 | -87.9 | 0 | 0 | 0 | 117 | N725 | H723-N725 PolarHBondContact O-N 3.41Š| ||
| 724 | H | 27 | Very low | 30.8 | Very low | 192 Ų | 192 | 143.5 Ų | 143.5 | 89% | 0.889 | 75% | 0.746 | S | S | * | * | trans | -55.3 | 128.3 | 144 | -92.2 | -47.9 | 0 | 0 | 0 | 109.7 | ||||
| 725 | N | 30.3 | Very low | 29.6 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | trans | -137.3 | 149.5 | 149.3 | -136.7 | -17.5 | 0 | 0 | 0 | 109 | H723 | H723-N725 PolarHBondContact O-N 3.41Š| ||
| 726 | K | 27 | Very low | 28.9 | Very low | 201 Ų | 201 | 145.7 Ų | 145.7 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -134.3 | 93.6 | -154 | -175 | -174.9 | 178.7 | -176.9 | 0 | 112.7 | ||||
| 727 | S | 28.9 | Very low | 28.5 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -150.2 | 120.1 | 173.2 | 41 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 728 | T | 28.7 | Very low | 27.8 | Very low | 126 Ų | 126 | 147 Ų | 147 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | 48.5 | 94.8 | 134.4 | -40.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 729 | I | 26.8 | Very low | 27.6 | Very low | 156 Ų | 156 | 148.8 Ų | 148.8 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | 30.1 | 112.2 | 124.5 | -50.9 | 168.7 | 0 | 0 | 0 | 118.3 | |||||
| 730 | Q | 29.7 | Very low | 27.7 | Very low | 194 Ų | 194 | 150.1 Ų | 150.1 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | -154 | 179.6 | 127.7 | -112.8 | 176.6 | 14 | 0 | 0 | 110.5 | |||||
| 731 | S | 23.7 | Very low | 27.8 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | -125.6 | 156.3 | -145.2 | 56.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 732 | Q | 25 | Very low | 28.2 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | 80.2 | 156.8 | 170.6 | -52.6 | -160.3 | 40.2 | 0 | 0 | 117.4 | ||||
| 733 | P | 27 | Very low | 28.2 | Very low | 115 Ų | 115 | 137.9 Ų | 137.9 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | cis | -110 | 175.3 | -15.7 | 37.7 | -26.7 | 0 | 0 | 0 | 113 | ||||
| 734 | I | 24.6 | Very low | 28.3 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 86% | 0.862 | 72% | 0.717 | S | S | * | * | trans | -105.6 | 100.5 | -171.7 | -58.3 | 172.8 | 0 | 0 | 0 | 112.3 | ||||
| 735 | T | 23.1 | Very low | 28.9 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 80% | 0.798 | 68% | 0.684 | S | S | * | * | trans | 173 | 159 | 146.8 | 22.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 736 | P | 28.1 | Very low | 29.3 | Very low | 122 Ų | 122 | 121.9 Ų | 121.9 | 79% | 0.792 | 66% | 0.66 | S | S | * | * | cis | -102.9 | 168.5 | 13.1 | 39.3 | -35 | 0 | 0 | 0 | 115.5 | K738 | P736-K738 PolarHBondContact O-N 3.16Š| ||
| 737 | T | 25.9 | Very low | 29.7 | Very low | 117 Ų | 117 | 116.7 Ų | 116.7 | 72% | 0.718 | 65% | 0.65 | S | S | * | * | trans | -50.5 | 115.2 | 176.8 | -47 | 0 | 0 | 0 | 0 | 113.1 | L739 | T737-L739 PolarHBondContact O-N 3.15Å; T737-L739 VanDerWaalsContact O-N 3.08Å | ||
| 738 | K | 25 | Very low | 30 | Very low | 166 Ų | 166 | 115.2 Ų | 115.2 | 72% | 0.722 | 63% | 0.633 | S | S | * | * | trans | -63.7 | 109.1 | 160.3 | -81.7 | -174.2 | 176.3 | 179 | 0 | 108.4 | P736 Y740 | P736-K738 PolarHBondContact O-N 3.16Å; K738-Y740 HydrophobicContact CB-CD2 4.21Å; K738-Y740 HydrophobicContact CB-CE2 3.96Å; K738-Y740 WeakPolarHBondContact O-CD2 3.39Å; K738-Y740 PolarHBondContact O-N 3.27Å | ||
| 739 | L | 27.9 | Very low | 31 | Very low | 133 Ų | 133 | 111.4 Ų | 111.4 | 70% | 0.696 | 61% | 0.608 | S | S | * | * | trans | -76.8 | 90.9 | -179.2 | -155.7 | 78.6 | 0 | 0 | 0 | 109.6 | T737 C741 | T737-L739 PolarHBondContact O-N 3.15Å; T737-L739 VanDerWaalsContact O-N 3.08Å; L739-C741 HydrophobicContact CD2-CB 4.07Å; L739-C741 HydrophobicContact CG-CB 4.11Å; L739-C741 PolarHBondContact O-N 3.32Å | ||
| 740 | Y | 29 | Very low | 31.7 | Very low | 168 Ų | 168 | 111.3 Ų | 111.3 | 66% | 0.659 | 60% | 0.602 | S | S | * | * | trans | -69.3 | 59.2 | 172.9 | -77.8 | -90.8 | 0 | 0 | 0 | 111.4 | K738 D743 | K738-Y740 HydrophobicContact CB-CD2 4.21Å; K738-Y740 HydrophobicContact CB-CE2 3.96Å; K738-Y740 WeakPolarHBondContact O-CD2 3.39Å; K738-Y740 PolarHBondContact O-N 3.27Å; Y740-D743 WeakPolarHBondContact CD1-OD2 3.5Å | ||
| 741 | C | 33.9 | Very low | 32.7 | Very low | 44 Ų | 44 | 107.5 Ų | 107.5 | 30% | 0.297 | 58% | 0.582 | S | S | . | * | trans | -88.2 | -1.2 | -173.9 | -114.9 | 0 | 0 | 0 | 0 | 114 | L739 | L739-C741 HydrophobicContact CD2-CB 4.07Å; L739-C741 HydrophobicContact CG-CB 4.11Å; L739-C741 PolarHBondContact O-N 3.32Å | ||
| 742 | T | 35.7 | Very low | 34.4 | Very low | 62 Ų | 62 | 103.9 Ų | 103.9 | 38% | 0.38 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -88.9 | -31.8 | 178.3 | 40.4 | 0 | 0 | 0 | 0 | 113.6 | S744 L745 | T742-S744 PolarHBondContact O-N 3.29Å; T742-L745 PolarHBondContact O-N 3.45Å |
| 743 | D | 32 | Very low | 36.3 | Very low | 76 Ų | 76 | 96 Ų | 96 | 41% | 0.406 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -78.1 | -28.2 | -155.9 | -58.8 | 1.4 | 0 | 0 | 0 | 111.8 | Y740 L745 I746 S747 | Y740-D743 WeakPolarHBondContact CD1-OD2 3.5Å; D743-L745 PolarHBondContact O-N 2.87Å; D743-I746 PolarHBondContact O-N 3.37Å; D743-S747 PolarHBondContact O-N 3.21Å |
| 744 | S | 36 | Very low | 38.7 | Very low | 79 Ų | 79 | 91.6 Ų | 91.6 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.1 | -21.5 | 173.1 | -44.1 | 0 | 0 | 0 | 0 | 114.3 | T742 | T742-S744 PolarHBondContact O-N 3.29Å |
| 745 | L | 38.6 | Very low | 41.3 | Very low | 37 Ų | 37 | 84.5 Ų | 84.5 | 19% | 0.194 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -95.1 | -12.2 | 173.4 | -80.2 | 167.2 | 0 | 0 | 0 | 112.8 | Y681 T742 D743 | Y681-L745 VanDerWaalsContact OH-CD1 3.29Å; Y681-L745 WeakPolarHBondContact OH-CD1 3.47Å; T742-L745 PolarHBondContact O-N 3.45Å; D743-L745 PolarHBondContact O-N 2.87Å |
| 746 | I | 38.7 | Very low | 44.2 | Very low | 74 Ų | 74 | 78.9 Ų | 78.9 | 38% | 0.379 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -94.5 | -43 | -178.6 | -64.4 | 169.8 | 0 | 0 | 0 | 110.3 | D743 N748 N749 | D743-I746 PolarHBondContact O-N 3.37Å; I746-N748 VanDerWaalsContact C-N 3.28Å; I746-N748 PolarHBondContact O-N 3.37Å; I746-N749 PolarHBondContact O-N 2.87Å |
| 747 | S | 35.2 | Very low | 47.1 | Very low | 93 Ų | 93 | 73.3 Ų | 73.3 | 65% | 0.65 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -32.8 | -174.3 | 65.8 | 0 | 0 | 0 | 0 | 114.6 | D743 | D743-S747 PolarHBondContact O-N 3.21Š|
| 748 | N | 36.5 | Very low | 50.1 | Low | 77 Ų | 77 | 68.6 Ų | 68.6 | 41% | 0.412 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 4.3 | -174.1 | -69.2 | 27.9 | 0 | 0 | 0 | 113.1 | L549 I746 K750 | L549-N748 HydrophobicContact CD2-CB 4.2Å; I746-N748 VanDerWaalsContact C-N 3.28Å; I746-N748 PolarHBondContact O-N 3.37Å; N748-K750 PolarHBondContact O-N 3.18Å |
| 749 | N | 48 | Very low | 53.3 | Low | 46 Ų | 46 | 61.2 Ų | 61.2 | 25% | 0.246 | 33% | 0.326 | C | S | . | . | trans | -94.9 | 86.7 | -172.4 | -155.9 | -26.7 | 0 | 0 | 0 | 112.1 | I746 F751 G752 L753 | I746-N749 PolarHBondContact O-N 2.87Å; N749-F751 PolarHBondContact O-N 3.11Å; N749-F751 PolarHBondContact OD1-N 3.35Å; N749-G752 PolarHBondContact O-N 3.02Å; N749-L753 PolarHBondContact ND2-N 3.3Å; N749-L753 PolarHBondContact ND2-O 3.32Å | ||
| 750 | K | 42.4 | Very low | 56.3 | Low | 154 Ų | 154 | 55.1 Ų | 55.1 | 67% | 0.67 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -8.5 | 175 | -79.3 | -179.9 | 177.6 | 168.6 | 0 | 114.8 | D545 N748 | D545-K750 WeakPolarHBondContact OD1-CE 2.91Å; D545-K750 IonicContact OD1-NZ 3.12Å; D545-K750 PolarHBondContact OD1-NZ 3.49Å; D545-K750 IonicContact OD2-NZ 3.32Å; D545-K750 PolarHBondContact OD2-NZ 3.14Å; N748-K750 PolarHBondContact O-N 3.18Å |
| 751 | F | 50.7 | Low | 59.2 | Low | 113 Ų | 113 | 47.7 Ų | 47.7 | 50% | 0.496 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | 2 | 177.4 | -53.8 | -77.1 | 0 | 0 | 0 | 114 | C510 N749 L753 | C510-F751 HydrophobicContact CB-CE2 4.31Å; C510-F751 HydrophobicContact CB-CZ 4.4Å; C510-F751 WeakPolarHBondContact SG-CE2 3.43Å; N749-F751 PolarHBondContact O-N 3.11Å; N749-F751 PolarHBondContact OD1-N 3.35Å; F751-L753 HydrophobicContact CB-CD1 3.85Å; F751-L753 HydrophobicContact CB-CG 4.24Å; F751-L753 PolarHBondContact O-N 3.19Å |
| 752 | G | 58.4 | Low | 61.9 | Low | 25 Ų | 25 | 45.6 Ų | 45.6 | 26% | 0.258 | 25% | 0.252 | S | S | . | . | trans | 62.1 | 33.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | P300 I301 N749 | P300-G752 CarbonylContact C-O 3.58Å; P300-G752 WeakPolarHBondContact CA-O 3.26Å; I301-G752 PolarHBondContact N-O 2.7Å; N749-G752 PolarHBondContact O-N 3.02Å | ||
| 753 | L | 65.8 | Low | 64.5 | Low | 17 Ų | 17 | 42.7 Ų | 42.7 | 9% | 0.089 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 144.2 | -176.9 | -65 | 156.3 | 0 | 0 | 0 | 112.6 | I301 P507 N749 F751 | I301-L753 HydrophobicContact CB-CD2 4.03Å; I301-L753 HydrophobicContact CG2-CD2 4.25Å; I301-L753 CarbonylContact O-C 3.33Å; I301-L753 WeakPolarHBondContact O-CA 3.4Å; P507-L753 HydrophobicContact CB-CD1 4.43Å; P507-L753 HydrophobicContact CG-CD1 3.41Å; P507-L753 VanDerWaalsContact CG-CD1 3.41Å; N749-L753 PolarHBondContact ND2-N 3.3Å; N749-L753 PolarHBondContact ND2-O 3.32Å; F751-L753 HydrophobicContact CB-CD1 3.85Å; F751-L753 HydrophobicContact CB-CG 4.24Å; F751-L753 PolarHBondContact O-N 3.19Å |
| 754 | S | 76.9 | Confident | 67.4 | Low | 22 Ų | 22 | 39.1 Ų | 39.1 | 15% | 0.154 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 108.4 | 172.6 | -165.9 | 0 | 0 | 0 | 0 | 109.8 | P300 I301 Y303 R717 I756 | P300-S754 WeakPolarHBondContact O-CB 3.47Å; I301-S754 PolarHBondContact O-N 3.1Å; Y303-S754 PolarHBondContact N-O 3.03Å; R717-S754 PolarHBondContact NH1-OG 3.07Å; S754-I756 PolarHBondContact O-N 3.31Å |
| 755 | V | 80.4 | Confident | 69.9 | Low | 20 Ų | 20 | 35.3 Ų | 35.3 | 12% | 0.121 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 131.1 | 178.2 | -167.2 | 0 | 0 | 0 | 0 | 110 | Y303 P305 P678 Y681 | Y303-V755 HydrophobicContact CD1-CG1 4.34Å; Y303-V755 HydrophobicContact CD1-CG2 4.31Å; Y303-V755 CarbonylContact O-C 3.59Å; Y303-V755 WeakPolarHBondContact O-CA 3.42Å; P305-V755 HydrophobicContact CG-CG1 4.06Å; P678-V755 HydrophobicContact CB-CG1 4.41Å; P678-V755 HydrophobicContact CG-CG1 4.18Å; P678-V755 HydrophobicContact CG-CG2 4.01Å; Y681-V755 HydrophobicContact CD2-CG1 3.97Å; Y681-V755 HydrophobicContact CE2-CB 4Å; Y681-V755 HydrophobicContact CE2-CG1 3.58Å |
| 756 | I | 83.7 | Confident | 72.3 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 6% | 0.062 | 18% | 0.181 | C | C | . | . | trans | -109.2 | 130.2 | 179.1 | -73.3 | 164.4 | 0 | 0 | 0 | 109.4 | P302 Y303 I304 R714 S754 | P302-I756 HydrophobicContact CB-CD1 3.3Å; P302-I756 HydrophobicContact CB-CG1 4.47Å; Y303-I756 PolarHBondContact O-N 3.03Å; I304-I756 HydrophobicContact CD1-CG2 4.22Å; I304-I756 HydrophobicContact CG1-CB 3.75Å; I304-I756 HydrophobicContact CG1-CG2 3.79Å; R714-I756 HydrophobicContact CG-CD1 4.43Å; S754-I756 PolarHBondContact O-N 3.31Å | ||
| 757 | F | 88.4 | Confident | 74.7 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 2% | 0.022 | 16% | 0.163 | C | C | . | . | trans | -68.9 | 133.8 | 172.1 | -177 | -96.7 | 0 | 0 | 0 | 111.6 | Y681 L684 Q685 A707 L710 W759 | Y681-F757 AromaticContact CD1-CD2 3.93Å; Y681-F757 HydrophobicContact CD1-CD2 3.93Å; Y681-F757 HydrophobicContact CG-CD2 4.13Å; L684-F757 HydrophobicContact CD2-CE2 3.98Å; L684-F757 HydrophobicContact CD2-CZ 4.02Å; Q685-F757 HydrophobicContact CG-CE2 3.83Å; Q685-F757 HydrophobicContact CG-CZ 3.75Å; A707-F757 HydrophobicContact CB-CE1 4Å; A707-F757 HydrophobicContact CB-CZ 4.13Å; L710-F757 HydrophobicContact CB-CB 3.74Å; L710-F757 HydrophobicContact CB-CG 4.17Å; L710-F757 HydrophobicContact CD1-CD2 4.16Å; L710-F757 HydrophobicContact CD1-CG 4.43Å; F757-W759 AromaticContact CE1-CD1 3.89Å; F757-W759 HydrophobicContact CE1-CD2 4.01Å; F757-W759 AromaticContact CE1-CE2 3.77Å; F757-W759 HydrophobicContact CE1-CG 4.08Å; F757-W759 HydrophobicContact CE1-CZ2 4.3Å; F757-W759 AromaticContact CE1-NE1 3.7Å; F757-W759 HydrophobicContact CZ-CD2 4.03Å; F757-W759 AromaticContact CZ-CE2 3.99Å; F757-W759 HydrophobicContact CZ-CE3 4.35Å; F757-W759 HydrophobicContact CZ-CG 4.45Å; F757-W759 HydrophobicContact CZ-CZ2 4.26Å | ||
| 758 | R | 88.7 | Confident | 77.4 | Confident | 17 Ų | 17 | 25.9 Ų | 25.9 | 6% | 0.064 | 13% | 0.132 | C | C | . | . | trans | -138.7 | 139.2 | 166.8 | -83.2 | -69.3 | 173.9 | 174.3 | -7.2 | 109.5 | I304 F308 Q685 P879 I881 | I304-R758 HydrophobicContact CD1-CG 4.07Å; I304-R758 HydrophobicContact CG1-CG 4.42Å; I304-R758 HydrophobicContact CG2-CB 3.98Å; I304-R758 HydrophobicContact CG2-CG 3.76Å; F308-R758 HydrophobicContact CB-CB 4.1Å; F308-R758 HydrophobicContact CD2-CB 4.45Å; Q685-R758 PolarHBondContact NE2-O 3.25Å; Q685-R758 VanDerWaalsContact NE2-O 3.16Å; Q685-R758 PolarHBondContact OE1-O 2.95Å; R758-P879 PolarHBondContact NH1-O 2.71Å; R758-P879 PolarHBondContact NH2-O 3.04Å; R758-I881 VanDerWaalsContact NH2-CD1 3.31Å | ||
| 759 | W | 92 | Very high | 79.7 | Confident | 12 Ų | 12 | 22.2 Ų | 22.2 | 5% | 0.045 | 11% | 0.113 | C | C | . | . | trans | -72.8 | 128.1 | 166.2 | -66.2 | 104.1 | 0 | 0 | 0 | 110.4 | Q685 C688 L704 A707 F757 V763 L764 L767 L874 S877 | Q685-W759 HydrophobicContact CB-CE3 4.29Å; Q685-W759 HydrophobicContact CB-CZ3 4.23Å; Q685-W759 HydrophobicContact CG-CE3 3.77Å; Q685-W759 HydrophobicContact CG-CZ3 4Å; C688-W759 HydrophobicContact CB-CH2 4.12Å; C688-W759 HydrophobicContact CB-CZ3 4.32Å; L704-W759 HydrophobicContact CD2-CH2 3.87Å; L704-W759 HydrophobicContact CD2-CZ2 3.74Å; A707-W759 HydrophobicContact CB-CZ2 3.9Å; F757-W759 AromaticContact CE1-CD1 3.89Å; F757-W759 HydrophobicContact CE1-CD2 4.01Å; F757-W759 AromaticContact CE1-CE2 3.77Å; F757-W759 HydrophobicContact CE1-CG 4.08Å; F757-W759 HydrophobicContact CE1-CZ2 4.3Å; F757-W759 AromaticContact CE1-NE1 3.7Å; F757-W759 HydrophobicContact CZ-CD2 4.03Å; F757-W759 AromaticContact CZ-CE2 3.99Å; F757-W759 HydrophobicContact CZ-CE3 4.35Å; F757-W759 HydrophobicContact CZ-CG 4.45Å; F757-W759 HydrophobicContact CZ-CZ2 4.26Å; W759-V763 HydrophobicContact CE3-CG1 4.09Å; W759-V763 HydrophobicContact CZ3-CG1 4.13Å; W759-L764 HydrophobicContact CB-CB 3.97Å; W759-L767 HydrophobicContact CH2-CD2 4.03Å; W759-L767 HydrophobicContact CZ2-CD2 4.42Å; W759-L767 HydrophobicContact CZ3-CD2 4.4Å; W759-L874 HydrophobicContact CZ2-CD1 4.08Å; W759-S877 PolarHBondContact NE1-OG 3.32Å | ||
| 760 | R | 92.2 | Very high | 81.5 | Confident | 4 Ų | 4 | 20.9 Ų | 20.9 | 2% | 0.015 | 11% | 0.11 | C | C | . | . | trans | -58.5 | 138.9 | 162.1 | -70.9 | 177 | 66.8 | 123.2 | -10.2 | 109.6 | A307 M309 Y686 E762 V763 L764 | A307-R760 VanDerWaalsContact O-CD 3.31Å; A307-R760 WeakPolarHBondContact O-CD 3.42Å; A307-R760 PolarHBondContact O-NH1 2.99Å; M309-R760 HydrophobicContact SD-CG 4.36Å; M309-R760 PolarHBondContact SD-NE 3.03Å; M309-R760 PolarHBondContact SD-NH2 3.15Å; Y686-R760 PolarHBondContact OH-NE 3.07Å; Y686-R760 VanDerWaalsContact OH-NE 3.12Å; R760-E762 IonicContact CZ-OE1 3.96Å; R760-E762 IonicContact NE-OE1 2.74Å; R760-E762 PolarHBondContact NE-OE1 2.67Å; R760-E762 IonicContact NH2-OE1 2.87Å; R760-E762 PolarHBondContact NH2-OE1 3.48Å; R760-E762 PolarHBondContact O-N 3.28Å; R760-V763 HydrophobicContact CB-CB 4.37Å; R760-V763 HydrophobicContact CB-CG2 4.04Å; R760-V763 PolarHBondContact O-N 3.14Å; R760-V763 VanDerWaalsContact O-N 3.17Å; R760-L764 PolarHBondContact O-N 3.17Å | ||
| 761 | P | 90.2 | Very high | 83.7 | Confident | 13 Ų | 13 | 13.6 Ų | 13.6 | 8% | 0.084 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65 | -36.3 | -168.8 | 26.6 | -35.3 | 0 | 0 | 0 | 113.2 | I181 M309 Q765 V884 | I181-P761 HydrophobicContact CD1-CB 3.98Å; I181-P761 HydrophobicContact CD1-CG 4.16Å; I181-P761 HydrophobicContact CG2-CB 4.47Å; M309-P761 HydrophobicContact CE-CG 4.3Å; P761-Q765 VanDerWaalsContact O-CB 3.29Å; P761-Q765 WeakPolarHBondContact O-CB 3.28Å; P761-Q765 PolarHBondContact O-N 2.96Å; P761-V884 HydrophobicContact CB-CG1 4.31Å |
| 762 | E | 88.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -68.3 | -35.4 | 175.8 | 72.4 | -78.1 | -164 | 0 | 0 | 112.7 | I202 L203 P460 R760 A766 | I202-E762 HydrophobicContact CG2-CB 3.64Å; L203-E762 HydrophobicContact CD2-CG 4.09Å; P460-E762 HydrophobicContact CB-CG 4.3Å; R760-E762 IonicContact CZ-OE1 3.96Å; R760-E762 IonicContact NE-OE1 2.74Å; R760-E762 PolarHBondContact NE-OE1 2.67Å; R760-E762 IonicContact NH2-OE1 2.87Å; R760-E762 PolarHBondContact NH2-OE1 3.48Å; R760-E762 PolarHBondContact O-N 3.28Å; E762-A766 VanDerWaalsContact O-CB 3.3Å; E762-A766 WeakPolarHBondContact O-CB 3.46Å; E762-A766 PolarHBondContact O-N 3.21Å |
| 763 | V | 91.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -72.4 | -43.8 | 176.4 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | Q685 Y686 W759 R760 Q765 A766 L767 | Q685-V763 HydrophobicContact CB-CG1 4.18Å; Q685-V763 WeakPolarHBondContact O-CG1 3.49Å; Y686-V763 HydrophobicContact CD1-CG2 3.79Å; Y686-V763 HydrophobicContact CE1-CG2 3.35Å; W759-V763 HydrophobicContact CE3-CG1 4.09Å; W759-V763 HydrophobicContact CZ3-CG1 4.13Å; R760-V763 HydrophobicContact CB-CB 4.37Å; R760-V763 HydrophobicContact CB-CG2 4.04Å; R760-V763 PolarHBondContact O-N 3.14Å; R760-V763 VanDerWaalsContact O-N 3.17Å; V763-Q765 VanDerWaalsContact C-N 3.35Å; V763-Q765 PolarHBondContact O-N 2.87Å; V763-A766 PolarHBondContact O-N 3.24Å; V763-L767 VanDerWaalsContact O-CB 3.29Å; V763-L767 WeakPolarHBondContact O-CB 3.47Å; V763-L767 PolarHBondContact O-N 3.12Å |
| 764 | L | 92 | Very high | 87.1 | Confident | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.5 | -48.5 | 175 | 177.5 | 55.4 | 0 | 0 | 0 | 110.9 | W759 R760 A766 L767 V768 L874 L878 V884 Q885 A888 | W759-L764 HydrophobicContact CB-CB 3.97Å; R760-L764 PolarHBondContact O-N 3.17Å; L764-A766 PolarHBondContact O-N 3.37Å; L764-L767 PolarHBondContact O-N 3.48Å; L764-V768 HydrophobicContact CD1-CG2 3.9Å; L764-V768 HydrophobicContact CG-CG2 4.42Å; L764-V768 VanDerWaalsContact O-CG2 3.26Å; L764-V768 WeakPolarHBondContact O-CG2 3.24Å; L764-V768 PolarHBondContact O-N 3.08Å; L764-L874 HydrophobicContact CD1-CD1 4.01Å; L764-L874 HydrophobicContact CD1-CD2 4.49Å; L764-L878 HydrophobicContact CD1-CD2 3.75Å; L764-L878 HydrophobicContact CD2-CD2 3.75Å; L764-L878 HydrophobicContact CG-CD2 4.44Å; L764-V884 HydrophobicContact CD2-CG1 4.44Å; L764-Q885 HydrophobicContact CD2-CG 3.86Å; L764-A888 HydrophobicContact CD1-CB 4.14Å; L764-A888 HydrophobicContact CD2-CB 3.94Å; L764-A888 HydrophobicContact CG-CB 4.02Å |
| 765 | Q | 89.8 | Confident | 87 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 179.6 | -166.1 | -136 | 46.5 | 0 | 0 | 111.7 | A180 I181 L185 P761 V763 L767 V768 L769 | A180-Q765 PolarHBondContact O-NE2 3.09Å; A180-Q765 VanDerWaalsContact O-NE2 3.08Å; I181-Q765 VanDerWaalsContact CA-NE2 3.33Å; I181-Q765 HydrophobicContact CG2-CB 4.24Å; I181-Q765 HydrophobicContact CG2-CG 4.3Å; I181-Q765 PolarHBondContact O-NE2 3.27Å; L185-Q765 HydrophobicContact CD1-CB 4.46Å; L185-Q765 HydrophobicContact CD1-CG 3.94Å; L185-Q765 HydrophobicContact CD2-CG 3.99Å; L185-Q765 HydrophobicContact CG-CG 3.71Å; P761-Q765 VanDerWaalsContact O-CB 3.29Å; P761-Q765 WeakPolarHBondContact O-CB 3.28Å; P761-Q765 PolarHBondContact O-N 2.96Å; V763-Q765 VanDerWaalsContact C-N 3.35Å; V763-Q765 PolarHBondContact O-N 2.87Å; Q765-L767 PolarHBondContact O-N 3.41Å; Q765-V768 PolarHBondContact O-N 3.15Å; Q765-L769 HydrophobicContact CG-CD1 4.01Å; Q765-L769 WeakPolarHBondContact O-CB 3.22Å; Q765-L769 VanDerWaalsContact O-CG 3.28Å; Q765-L769 WeakPolarHBondContact O-CG 3.46Å; Q765-L769 PolarHBondContact O-N 2.74Å |
| 766 | A | 88.4 | Confident | 86.2 | Confident | 4 Ų | 4 | 22.2 Ų | 22.2 | 3% | 0.033 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P201 L203 L689 E762 V763 L764 G770 | P201-A766 HydrophobicContact CB-CB 3.65Å; P201-A766 HydrophobicContact CG-CB 3.98Å; L203-A766 HydrophobicContact CD1-CB 4.42Å; L689-A766 HydrophobicContact CD1-CB 3.84Å; L689-A766 HydrophobicContact CD2-CB 4.2Å; E762-A766 VanDerWaalsContact O-CB 3.3Å; E762-A766 WeakPolarHBondContact O-CB 3.46Å; E762-A766 PolarHBondContact O-N 3.21Å; V763-A766 PolarHBondContact O-N 3.24Å; L764-A766 PolarHBondContact O-N 3.37Å; A766-G770 PolarHBondContact O-N 2.99Å |
| 767 | L | 90.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.8 | -42.8 | -179.8 | -161.2 | 93.2 | 0 | 0 | 0 | 112.1 | C688 L692 L700 L704 W759 V763 L764 Q765 G770 I771 L874 | C688-L767 HydrophobicContact CB-CD1 3.86Å; L692-L767 HydrophobicContact CD2-CD1 3.79Å; L692-L767 HydrophobicContact CD2-CG 4.12Å; L700-L767 HydrophobicContact CD1-CD1 4.28Å; L704-L767 HydrophobicContact CD2-CD2 3.97Å; W759-L767 HydrophobicContact CH2-CD2 4.03Å; W759-L767 HydrophobicContact CZ2-CD2 4.42Å; W759-L767 HydrophobicContact CZ3-CD2 4.4Å; V763-L767 VanDerWaalsContact O-CB 3.29Å; V763-L767 WeakPolarHBondContact O-CB 3.47Å; V763-L767 PolarHBondContact O-N 3.12Å; L764-L767 PolarHBondContact O-N 3.48Å; Q765-L767 PolarHBondContact O-N 3.41Å; L767-G770 PolarHBondContact O-N 3.33Å; L767-I771 HydrophobicContact CD2-CD1 4.01Å; L767-I771 HydrophobicContact CG-CD1 3.92Å; L767-I771 WeakPolarHBondContact O-CB 3.42Å; L767-I771 VanDerWaalsContact O-CG1 3.31Å; L767-I771 WeakPolarHBondContact O-CG1 3.48Å; L767-I771 PolarHBondContact O-N 2.74Å; L767-L874 HydrophobicContact CD2-CD1 3.65Å; L767-L874 HydrophobicContact CD2-CD2 3.9Å; L767-L874 HydrophobicContact CD2-CG 4.33Å |
| 768 | V | 89.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.8 | -50.4 | 175 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | L185 L764 Q765 G770 I771 S772 L874 A888 Q891 | L185-V768 HydrophobicContact CD2-CB 4.11Å; L185-V768 HydrophobicContact CD2-CG1 3.76Å; L764-V768 HydrophobicContact CD1-CG2 3.9Å; L764-V768 HydrophobicContact CG-CG2 4.42Å; L764-V768 VanDerWaalsContact O-CG2 3.26Å; L764-V768 WeakPolarHBondContact O-CG2 3.24Å; L764-V768 PolarHBondContact O-N 3.08Å; Q765-V768 PolarHBondContact O-N 3.15Å; V768-G770 VanDerWaalsContact C-N 3.32Å; V768-G770 PolarHBondContact O-N 3.03Å; V768-I771 PolarHBondContact O-N 2.82Å; V768-S772 WeakPolarHBondContact O-CB 3.38Å; V768-S772 PolarHBondContact O-N 3.1Å; V768-L874 HydrophobicContact CG2-CD2 3.65Å; V768-A888 HydrophobicContact CG2-CB 3.75Å; V768-Q891 HydrophobicContact CG1-CB 3.73Å; V768-Q891 HydrophobicContact CG1-CG 3.67Å |
| 769 | L | 86.6 | Confident | 79.7 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.5 | -32.3 | -178.8 | -66.6 | 174.7 | 0 | 0 | 0 | 112.1 | A184 L185 S188 P201 Q765 S772 R773 | A184-L769 HydrophobicContact CB-CD1 3.96Å; L185-L769 HydrophobicContact CD2-CD2 4.16Å; L185-L769 HydrophobicContact CD2-CG 4.12Å; S188-L769 WeakPolarHBondContact OG-CD2 3.45Å; P201-L769 HydrophobicContact CG-CD1 4.46Å; Q765-L769 HydrophobicContact CG-CD1 4.01Å; Q765-L769 WeakPolarHBondContact O-CB 3.22Å; Q765-L769 VanDerWaalsContact O-CG 3.28Å; Q765-L769 WeakPolarHBondContact O-CG 3.46Å; Q765-L769 PolarHBondContact O-N 2.74Å; L769-S772 PolarHBondContact O-OG 3.32Å; L769-R773 WeakPolarHBondContact O-CG 3.4Å |
| 770 | G | 85.7 | Confident | 76.7 | Confident | 18 Ų | 18 | 34 Ų | 34 | 19% | 0.186 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.4 | -48 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | A766 L767 V768 S772 R773 | A766-G770 PolarHBondContact O-N 2.99Å; L767-G770 PolarHBondContact O-N 3.33Å; V768-G770 VanDerWaalsContact C-N 3.32Å; V768-G770 PolarHBondContact O-N 3.03Å; G770-S772 VanDerWaalsContact C-N 3.27Å; G770-S772 PolarHBondContact O-N 3.41Å; G770-R773 WeakPolarHBondContact O-CB 3.41Å; G770-R773 PolarHBondContact O-N 3.16Å; G770-R773 VanDerWaalsContact O-N 3.08Å |
| 771 | I | 86.9 | Confident | 73.7 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -35.8 | 177.4 | -69 | 167.4 | 0 | 0 | 0 | 110.9 | L692 L704 L767 V768 R773 L774 R867 L870 A871 L874 L895 | L692-I771 HydrophobicContact CD1-CG1 4.17Å; L692-I771 HydrophobicContact CD2-CG1 4.16Å; L704-I771 HydrophobicContact CD1-CD1 4.45Å; L767-I771 HydrophobicContact CD2-CD1 4.01Å; L767-I771 HydrophobicContact CG-CD1 3.92Å; L767-I771 WeakPolarHBondContact O-CB 3.42Å; L767-I771 VanDerWaalsContact O-CG1 3.31Å; L767-I771 WeakPolarHBondContact O-CG1 3.48Å; L767-I771 PolarHBondContact O-N 2.74Å; V768-I771 PolarHBondContact O-N 2.82Å; I771-R773 PolarHBondContact O-N 3.24Å; I771-L774 PolarHBondContact O-N 3.3Å; I771-R867 HydrophobicContact CG2-CG 4.09Å; I771-R867 VanDerWaalsContact O-CD 3.25Å; I771-R867 WeakPolarHBondContact O-CD 3.27Å; I771-R867 WeakPolarHBondContact O-CG 3.36Å; I771-L870 HydrophobicContact CD1-CB 4.24Å; I771-L870 HydrophobicContact CG2-CB 4.25Å; I771-A871 HydrophobicContact CG2-CB 4.43Å; I771-L874 HydrophobicContact CD1-CD2 4.17Å; I771-L895 HydrophobicContact CG2-CD1 4.22Å |
| 772 | S | 84.3 | Confident | 70.9 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.8 | -21.9 | 176.1 | 75.9 | 0 | 0 | 0 | 0 | 114.5 | V768 L769 G770 | V768-S772 WeakPolarHBondContact O-CB 3.38Å; V768-S772 PolarHBondContact O-N 3.1Å; L769-S772 PolarHBondContact O-OG 3.32Å; G770-S772 VanDerWaalsContact C-N 3.27Å; G770-S772 PolarHBondContact O-N 3.41Å |
| 773 | R | 82.2 | Confident | 68 | Low | 128 Ų | 128 | 53.8 Ų | 53.8 | 48% | 0.483 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -10.4 | 178.5 | -72.2 | 173 | 173.2 | 153.6 | 6.5 | 114.6 | L199 L769 G770 I771 | L199-R773 PolarHBondContact O-NH2 3.37Å; L769-R773 WeakPolarHBondContact O-CG 3.4Å; G770-R773 WeakPolarHBondContact O-CB 3.41Å; G770-R773 PolarHBondContact O-N 3.16Å; G770-R773 VanDerWaalsContact O-N 3.08Å; I771-R773 PolarHBondContact O-N 3.24Å |
| 774 | L | 81.6 | Confident | 64.9 | Low | 26 Ų | 26 | 61.7 Ų | 61.7 | 14% | 0.136 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -64.9 | 148.7 | 175.9 | -63.9 | 175 | 0 | 0 | 0 | 110.2 | L692 L697 I771 R867 L870 | L692-L774 HydrophobicContact CD1-CD1 4.29Å; L697-L774 HydrophobicContact CD2-CD1 4.2Å; L697-L774 HydrophobicContact CD2-CD2 4.47Å; I771-L774 PolarHBondContact O-N 3.3Å; L774-R867 HydrophobicContact CB-CB 4.29Å; L774-R867 HydrophobicContact CB-CG 4.14Å; L774-R867 VanDerWaalsContact O-CD 3.23Å; L774-R867 WeakPolarHBondContact O-CD 3.44Å; L774-R867 PolarHBondContact O-NH1 2.86Å; L774-L870 HydrophobicContact CD1-CD1 3.8Å |
| 775 | P | 75 | Confident | 61.8 | Low | 61 Ų | 61 | 69.2 Ų | 69.2 | 40% | 0.396 | 39% | 0.385 | S | S | . | . | trans | -63.4 | 153.8 | 178.2 | 25.3 | -33.5 | 0 | 0 | 0 | 112.1 | S777 A780 | P775-S777 PolarHBondContact O-N 3.46Å; P775-A780 HydrophobicContact CG-CB 3.65Å | ||
| 776 | Q | 62.5 | Low | 58.7 | Low | 139 Ų | 139 | 76.4 Ų | 76.4 | 65% | 0.65 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -83.4 | 83.6 | -178.1 | -167.2 | 152.8 | -22.7 | 0 | 0 | 110.3 | ||
| 777 | S | 51.5 | Low | 55.9 | Low | 88 Ų | 88 | 83.3 Ų | 83.3 | 62% | 0.615 | 45% | 0.449 | S | S | * | . | S | Bend | trans | 59.8 | 61.7 | 174.7 | 43.3 | 0 | 0 | 0 | 0 | 116 | P775 | P775-S777 PolarHBondContact O-N 3.46Š|
| 778 | A | 34.4 | Very low | 52.8 | Low | 63 Ų | 63 | 89.3 Ų | 89.3 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -141 | 155.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | A780 | A778-A780 PolarHBondContact O-N 2.9Š|
| 779 | P | 38.9 | Very low | 49.9 | Very low | 108 Ų | 108 | 96.9 Ų | 96.9 | 70% | 0.701 | 52% | 0.521 | S | S | * | . | trans | -58.8 | 135.3 | 168.3 | 26.4 | -33.4 | 0 | 0 | 0 | 109.7 | F781 | P779-F781 VanDerWaalsContact C-N 3.33Å; P779-F781 PolarHBondContact O-N 2.93Å | ||
| 780 | A | 29 | Very low | 46.9 | Very low | 33 Ų | 33 | 103.9 Ų | 103.9 | 27% | 0.273 | 56% | 0.556 | S | S | . | * | trans | -83.6 | 71.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P775 A778 | P775-A780 HydrophobicContact CG-CB 3.65Å; A778-A780 PolarHBondContact O-N 2.9Å | ||
| 781 | F | 28.1 | Very low | 44.2 | Very low | 196 Ų | 196 | 109.3 Ų | 109.3 | 86% | 0.86 | 59% | 0.586 | S | S | * | * | S | Bend | trans | 62.4 | 160.5 | -176.1 | -82.6 | -103.4 | 0 | 0 | 0 | 114.8 | P779 | P779-F781 VanDerWaalsContact C-N 3.33Å; P779-F781 PolarHBondContact O-N 2.93Å |
| 782 | V | 32.9 | Very low | 41.4 | Very low | 122 Ų | 122 | 118.3 Ų | 118.3 | 74% | 0.739 | 63% | 0.628 | S | S | * | * | trans | 69.7 | 111.1 | -173.7 | -175.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 783 | D | 27.2 | Very low | 38.7 | Very low | 116 Ų | 116 | 120.7 Ų | 120.7 | 62% | 0.62 | 66% | 0.656 | S | S | * | * | cis | -132.2 | 135.8 | -1.1 | -81.4 | -42.4 | 0 | 0 | 0 | 112.1 | ||||
| 784 | I | 26 | Very low | 36.2 | Very low | 166 Ų | 166 | 120 Ų | 120 | 85% | 0.851 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -116.3 | 77.6 | 156.9 | -58.1 | 175.8 | 0 | 0 | 0 | 105.7 | ||
| 785 | D | 26.5 | Very low | 33.6 | Very low | 158 Ų | 158 | 125 Ų | 125 | 85% | 0.845 | 70% | 0.703 | S | S | * | * | trans | 179.8 | 68.2 | 156.6 | -93.7 | -22.8 | 0 | 0 | 0 | 109.7 | ||||
| 786 | R | 26.2 | Very low | 31.5 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 57% | 0.574 | 72% | 0.722 | S | S | * | * | trans | -137.4 | 41.7 | 173.2 | -151.5 | 175.8 | -170.9 | 158.2 | 4.3 | 113.5 | H1144 | R786-H1144 PolarHBondContact NH1-NE2 2.92Å; R786-H1144 PolarHBondContact NH2-CE1 3.46Å; R786-H1144 PolarHBondContact NH2-NE2 3.46Å | ||
| 787 | N | 28.1 | Very low | 29.8 | Very low | 149 Ų | 149 | 128.8 Ų | 128.8 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | trans | -96.5 | 91.7 | 166.5 | -158.7 | 38.8 | 0 | 0 | 0 | 108.9 | H789 | N787-H789 PolarHBondContact O-N 3.39Š| ||
| 788 | T | 25.7 | Very low | 28.9 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 77% | 0.767 | 74% | 0.736 | S | S | * | * | trans | -71.4 | 88.7 | -179.6 | 49 | 0 | 0 | 0 | 0 | 110.4 | I790 | T788-I790 PolarHBondContact O-N 2.85Š| ||
| 789 | H | 28.2 | Very low | 28.5 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | trans | -74.6 | 128.1 | 171.9 | -143.1 | -75.1 | 0 | 0 | 0 | 110.3 | N787 | N787-H789 PolarHBondContact O-N 3.39Š| ||
| 790 | I | 25.2 | Very low | 28.2 | Very low | 147 Ų | 147 | 137 Ų | 137 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | -65 | 135 | 178.6 | -60.9 | 159.9 | 0 | 0 | 0 | 108.6 | T788 | T788-I790 PolarHBondContact O-N 2.85Š| ||
| 791 | T | 29.1 | Very low | 28.1 | Very low | 132 Ų | 132 | 141.9 Ų | 141.9 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | trans | -130.1 | 123.1 | 165.8 | 34.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 792 | E | 27.5 | Very low | 28.3 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | -76.6 | 152.7 | 168.6 | -62.6 | -179.5 | 129.2 | 0 | 0 | 109.1 | ||||
| 793 | G | 27.1 | Very low | 28.1 | Very low | 73 Ų | 73 | 140.6 Ų | 140.6 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | -92.7 | 163.7 | -159.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 794 | S | 29.7 | Very low | 28.2 | Very low | 115 Ų | 115 | 138.9 Ų | 138.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -159.6 | 111.6 | 149 | -88.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 795 | V | 27.5 | Very low | 28.4 | Very low | 130 Ų | 130 | 139.9 Ų | 139.9 | 79% | 0.788 | 79% | 0.793 | S | S | * | * | trans | 42.9 | 156.7 | 142.4 | -61.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 796 | E | 29.4 | Very low | 28.5 | Very low | 171 Ų | 171 | 136.8 Ų | 136.8 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | 84.2 | 98.1 | 159.3 | -76.3 | 171 | -148.1 | 0 | 0 | 121 | ||||
| 797 | S | 28.6 | Very low | 28.5 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | 32.7 | 146.9 | 122.8 | 58.4 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 798 | S | 31.3 | Very low | 28.6 | Very low | 116 Ų | 116 | 135 Ų | 135 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | cis | -151.2 | 172.2 | 22.8 | 62.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 799 | L | 27.4 | Very low | 28.6 | Very low | 160 Ų | 160 | 136 Ų | 136 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -62.6 | 150.7 | 171.2 | -62.8 | 146.7 | 0 | 0 | 0 | 113.1 | ||||
| 800 | N | 32.3 | Very low | 28.9 | Very low | 157 Ų | 157 | 136.7 Ų | 136.7 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | -169.7 | 149.3 | 107.6 | -133.2 | 30.5 | 0 | 0 | 0 | 113.9 | |||||
| 801 | D | 25.8 | Very low | 29 | Very low | 135 Ų | 135 | 137 Ų | 137 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | -82 | 154 | 165.5 | -72.4 | -69 | 0 | 0 | 0 | 112 | ||||
| 802 | N | 32.8 | Very low | 29.2 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | -178 | 171.8 | 113 | -100.7 | -69.7 | 0 | 0 | 0 | 114.7 | |||||
| 803 | T | 28.1 | Very low | 29.4 | Very low | 138 Ų | 138 | 131.7 Ų | 131.7 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -101.7 | 152.8 | -173.8 | 46 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 804 | G | 30.7 | Very low | 29.4 | Very low | 81 Ų | 81 | 135.5 Ų | 135.5 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 178.4 | 123.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 805 | Q | 29.3 | Very low | 29.3 | Very low | 187 Ų | 187 | 138.6 Ų | 138.6 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -65.5 | 163.1 | -168.8 | -65 | 162 | -78.6 | 0 | 0 | 119.6 | ||||
| 806 | S | 27.7 | Very low | 29.3 | Very low | 93 Ų | 93 | 137 Ų | 137 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | trans | 74.1 | 112.7 | 137.7 | 56.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 807 | D | 26.6 | Very low | 29 | Very low | 157 Ų | 157 | 134 Ų | 134 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | 83.1 | 155.5 | 122.6 | -56.8 | -14.3 | 0 | 0 | 0 | 123.9 | |||||
| 808 | S | 31.4 | Very low | 29 | Very low | 105 Ų | 105 | 137.2 Ų | 137.2 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | 76.4 | 92.6 | 170.3 | -71.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 809 | D | 25.9 | Very low | 28.6 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | 41 | 122.2 | 125.3 | -55.9 | -45.7 | 0 | 0 | 0 | 121 | |||||
| 810 | N | 34.3 | Very low | 28.5 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 93% | 0.93 | 80% | 0.804 | S | S | * | * | -149.5 | 149.8 | 129.8 | -121.3 | -50.5 | 0 | 0 | 0 | 112.1 | |||||
| 811 | N | 27.5 | Very low | 28.1 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -134 | 126.5 | -170.4 | -171.7 | 5.5 | 0 | 0 | 0 | 110.1 | ||||
| 812 | S | 33.1 | Very low | 28 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -134.1 | 134.3 | 178.9 | 62.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 813 | S | 31.6 | Very low | 27.5 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 80% | 0.795 | S | S | * | * | trans | -103.5 | 143.1 | -159.2 | 58.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 814 | N | 25.8 | Very low | 27.3 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 42.3 | 113.7 | 139.4 | -57.5 | -18.1 | 0 | 0 | 0 | 120 | ||||
| 815 | I | 29.2 | Very low | 27 | Very low | 180 Ų | 180 | 142.1 Ų | 142.1 | 92% | 0.923 | 79% | 0.792 | S | S | * | * | trans | -128.5 | 150.2 | 134.5 | -82.7 | 178.5 | 0 | 0 | 0 | 108.1 | ||||
| 816 | S | 26.5 | Very low | 26.8 | Very low | 97 Ų | 97 | 138.2 Ų | 138.2 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -107.5 | 145.4 | -164 | 55.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 817 | S | 24.3 | Very low | 26.7 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | trans | 52.9 | 122.4 | 145.1 | 63.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 818 | L | 26.6 | Very low | 26.8 | Very low | 176 Ų | 176 | 141.4 Ų | 141.4 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | -159.9 | 159.6 | 103.4 | -164.3 | 53.6 | 0 | 0 | 0 | 111.2 | |||||
| 819 | V | 23.4 | Very low | 26.7 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | -106.1 | 132.6 | 175.7 | 172.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 820 | R | 25.4 | Very low | 27.5 | Very low | 220 Ų | 220 | 141 Ų | 141 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | 170.4 | 106.3 | 133 | -178.2 | 161.6 | -62.5 | -166.7 | 2.9 | 114.8 | ||||
| 821 | T | 23.3 | Very low | 27.2 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | trans | 46 | 142 | 143.6 | 65 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 822 | N | 23.6 | Very low | 27.3 | Very low | 152 Ų | 152 | 140 Ų | 140 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | trans | 95.5 | 107.6 | 147.2 | -68.1 | -2 | 0 | 0 | 0 | 121 | ||||
| 823 | S | 23.3 | Very low | 27 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | 75.5 | 95.4 | 118.3 | -160.5 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 824 | M | 23.9 | Very low | 26.9 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | 79.6 | 145.7 | 131.8 | -69.3 | -172.6 | 171.2 | 0 | 0 | 122.1 | ||||
| 825 | M | 24 | Very low | 27 | Very low | 169 Ų | 169 | 142 Ų | 142 | 83% | 0.833 | 79% | 0.787 | S | S | * | * | trans | 67.7 | 103.8 | 154.8 | -114.7 | 70.1 | 93.6 | 0 | 0 | 119.5 | ||||
| 826 | S | 26.1 | Very low | 26.9 | Very low | 105 Ų | 105 | 140.6 Ų | 140.6 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -149.5 | 124.4 | 133.2 | 49.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 827 | N | 25.2 | Very low | 27.1 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -165.1 | 129.2 | 150.2 | -101.6 | -13.3 | 0 | 0 | 0 | 105.6 | ||||
| 828 | I | 27.6 | Very low | 27 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | trans | -146.8 | 161.2 | -169.9 | -32 | 177.9 | 0 | 0 | 0 | 108.6 | ||||
| 829 | I | 31 | Very low | 27.1 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | 91.5 | 125.3 | 160.2 | -66 | 172.3 | 0 | 0 | 0 | 115.5 | ||||
| 830 | P | 40.9 | Very low | 27.1 | Very low | 96 Ų | 96 | 139.3 Ų | 139.3 | 62% | 0.623 | 78% | 0.778 | S | S | * | * | cis | -149.5 | -178.9 | -20.6 | 42.5 | -23.2 | 0 | 0 | 0 | 117.5 | ||||
| 831 | N | 28.7 | Very low | 27.2 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 54.7 | 117.8 | 145.9 | -62.8 | -1.7 | 0 | 0 | 0 | 121.7 | ||||
| 832 | N | 30.5 | Very low | 27.2 | Very low | 161 Ų | 161 | 138.8 Ų | 138.8 | 86% | 0.861 | 78% | 0.783 | S | S | * | * | -150.3 | 168.4 | 86.7 | -141.9 | 5.2 | 0 | 0 | 0 | 111.5 | |||||
| 833 | E | 26.1 | Very low | 27.2 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -101 | 175.4 | -162 | -58.2 | -171.8 | 114.1 | 0 | 0 | 117.3 | ||||
| 834 | L | 29.2 | Very low | 27.3 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | 81.4 | 127.5 | 163.9 | -94 | 67 | 0 | 0 | 0 | 119.7 | ||||
| 835 | G | 28 | Very low | 27.3 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | 146.4 | 65.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 836 | N | 28 | Very low | 27.3 | Very low | 150 Ų | 150 | 136 Ų | 136 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | -18.1 | 125.9 | 167.9 | -55.3 | -11.1 | 0 | 0 | 0 | 116.1 | ||||
| 837 | N | 29.9 | Very low | 27.5 | Very low | 162 Ų | 162 | 136.3 Ų | 136.3 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | -170.4 | 159.8 | 79.1 | -96.8 | -38.7 | 0 | 0 | 0 | 113.5 | |||||
| 838 | S | 23.1 | Very low | 27.3 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | trans | -94.7 | 143.2 | 172 | -180 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 839 | I | 28.4 | Very low | 27.3 | Very low | 146 Ų | 146 | 133.8 Ų | 133.8 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | 177.2 | 129.5 | 128.4 | -89.3 | 152.5 | 0 | 0 | 0 | 107.7 | F841 | I839-F841 HydrophobicContact CG2-CD2 3.9Å; I839-F841 HydrophobicContact CG2-CE2 3.81Å | |||
| 840 | G | 23.2 | Very low | 26.9 | Very low | 68 Ų | 68 | 135.7 Ų | 135.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | -108.9 | 155.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 841 | F | 27.2 | Very low | 26 | Very low | 199 Ų | 199 | 138.3 Ų | 138.3 | 87% | 0.873 | 79% | 0.786 | S | S | * | * | trans | -141.1 | 143 | 170.3 | -92.4 | -78.2 | 0 | 0 | 0 | 111.9 | I839 | I839-F841 HydrophobicContact CG2-CD2 3.9Å; I839-F841 HydrophobicContact CG2-CE2 3.81Å | ||
| 842 | T | 22.6 | Very low | 25.7 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -120.8 | 122.7 | 177.9 | 51.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 843 | N | 25.2 | Very low | 25.3 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | 62.7 | 151.6 | 166.5 | -61.3 | -14.5 | 0 | 0 | 0 | 118.6 | ||||
| 844 | V | 24.3 | Very low | 25.4 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | 163.4 | 114.5 | 115.5 | 157.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 845 | L | 24.2 | Very low | 25.1 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 65% | 0.654 | 78% | 0.779 | S | S | * | * | trans | 60.4 | 166.7 | 155.5 | -57.6 | 171.9 | 0 | 0 | 0 | 118.3 | ||||
| 846 | N | 24.8 | Very low | 25 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 63% | 0.631 | 78% | 0.778 | S | S | * | * | cis | -149.3 | 156 | -4.1 | -146.4 | 18 | 0 | 0 | 0 | 111.3 | ||||
| 847 | P | 28.5 | Very low | 24.8 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -113.6 | 120.3 | 173.1 | 35.8 | -24 | 0 | 0 | 0 | 114.4 | ||||
| 848 | T | 22.3 | Very low | 24.6 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -152.8 | 121.4 | 164.2 | 45.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 849 | C | 27.4 | Very low | 24.8 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | trans | -164.6 | 152.6 | 140.2 | -122.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 850 | Q | 22.5 | Very low | 25 | Very low | 188 Ų | 188 | 135.3 Ų | 135.3 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -108.1 | 141.4 | -178.1 | -69.9 | -179.9 | -16.3 | 0 | 0 | 111.8 | ||||
| 851 | N | 21.4 | Very low | 25.5 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | 57.6 | 91.3 | 142.5 | -159.5 | 24.2 | 0 | 0 | 0 | 119.6 | ||||
| 852 | T | 23.8 | Very low | 26.3 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | trans | -159 | 139.7 | 135.8 | 18 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 853 | N | 21.9 | Very low | 27.9 | Very low | 144 Ų | 144 | 126.6 Ų | 126.6 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | trans | 34.6 | 107.4 | 162.8 | -64.4 | -2.4 | 0 | 0 | 0 | 120.5 | E855 | N853-E855 PolarHBondContact O-N 3.1Š| ||
| 854 | P | 27.6 | Very low | 29.9 | Very low | 119 Ų | 119 | 125 Ų | 125 | 77% | 0.773 | 71% | 0.711 | S | S | * | * | trans | -90.3 | 76.9 | 171.4 | 36.5 | -34.3 | 0 | 0 | 0 | 113.6 | S856 | P854-S856 PolarHBondContact O-N 3.44Å; P854-S856 VanDerWaalsContact O-N 3.15Å; P854-S856 PolarHBondContact O-OG 2.89Å | ||
| 855 | E | 22.1 | Very low | 32.5 | Very low | 169 Ų | 169 | 120.9 Ų | 120.9 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | trans | -73.9 | 100.2 | 157.2 | -75.3 | -151 | 155.5 | 0 | 0 | 109.2 | N853 Y857 | N853-E855 PolarHBondContact O-N 3.1Å; E855-Y857 PolarHBondContact O-N 3.43Å | ||
| 856 | S | 26.1 | Very low | 35.3 | Very low | 103 Ų | 103 | 117.2 Ų | 117.2 | 72% | 0.72 | 67% | 0.669 | S | S | * | * | trans | -79.5 | 79.6 | -163.3 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | P854 S858 | P854-S856 PolarHBondContact O-N 3.44Å; P854-S856 VanDerWaalsContact O-N 3.15Å; P854-S856 PolarHBondContact O-OG 2.89Å; S856-S858 PolarHBondContact O-N 3Å | ||
| 857 | Y | 24.3 | Very low | 38.2 | Very low | 216 Ų | 216 | 113.1 Ų | 113.1 | 85% | 0.847 | 65% | 0.645 | S | S | * | * | trans | -72.4 | 77.6 | 160 | -79.1 | -84.3 | 0 | 0 | 0 | 110.2 | E855 T859 | E855-Y857 PolarHBondContact O-N 3.43Å; Y857-T859 PolarHBondContact O-N 2.88Å | ||
| 858 | S | 25.9 | Very low | 40.8 | Very low | 98 Ų | 98 | 109.1 Ų | 109.1 | 69% | 0.685 | 62% | 0.621 | S | S | * | * | trans | -63 | 123.8 | 178.5 | 58.6 | 0 | 0 | 0 | 0 | 111.5 | S856 I860 | S856-S858 PolarHBondContact O-N 3Å; S858-I860 PolarHBondContact O-N 3.23Å | ||
| 859 | T | 26.8 | Very low | 43.9 | Very low | 130 Ų | 130 | 105.6 Ų | 105.6 | 80% | 0.798 | 60% | 0.597 | S | S | * | * | trans | -52.7 | 125.4 | 174.2 | -18.1 | 0 | 0 | 0 | 0 | 110.4 | Y857 T861 | Y857-T859 PolarHBondContact O-N 2.88Å; T859-T861 PolarHBondContact O-N 3.23Å | ||
| 860 | I | 33.4 | Very low | 46.9 | Very low | 104 Ų | 104 | 99 Ų | 99 | 53% | 0.533 | 55% | 0.553 | S | S | . | * | trans | -79.6 | 74.8 | -174.9 | -51.3 | -179.7 | 0 | 0 | 0 | 110 | T663 S858 G862 | T663-I860 HydrophobicContact CG2-CD1 3.8Å; S858-I860 PolarHBondContact O-N 3.23Å; I860-G862 PolarHBondContact O-N 2.97Å | ||
| 861 | T | 34.5 | Very low | 50 | Low | 120 Ų | 120 | 90 Ų | 90 | 74% | 0.736 | 51% | 0.511 | S | S | * | . | trans | -75.2 | 112.9 | 155.3 | 50.6 | 0 | 0 | 0 | 0 | 108.1 | T859 S863 | T859-T861 PolarHBondContact O-N 3.23Å; T861-S863 PolarHBondContact O-N 3.38Å | ||
| 862 | G | 43.8 | Very low | 53.1 | Low | 26 Ų | 26 | 83.8 Ų | 83.8 | 27% | 0.268 | 48% | 0.482 | S | S | . | . | trans | -46.8 | 132.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | E578 I860 I864 | E578-G862 VanDerWaalsContact CD-CA 3.49Å; E578-G862 WeakPolarHBondContact OE1-CA 3.35Å; E578-G862 VanDerWaalsContact OE2-CA 3.32Å; E578-G862 WeakPolarHBondContact OE2-CA 3.43Å; I860-G862 PolarHBondContact O-N 2.97Å; G862-I864 VanDerWaalsContact C-N 3.34Å; G862-I864 PolarHBondContact O-N 2.95Å | ||
| 863 | S | 55.2 | Low | 56.3 | Low | 61 Ų | 61 | 78.8 Ų | 78.8 | 43% | 0.427 | 45% | 0.45 | S | S | . | . | trans | -84.4 | 77.3 | -153.1 | -166.8 | 0 | 0 | 0 | 0 | 111.9 | E578 R701 T861 V865 | E578-S863 PolarHBondContact OE1-N 3.38Å; E578-S863 VanDerWaalsContact OE1-N 3.1Å; R701-S863 PolarHBondContact NH1-O 3.49Å; R701-S863 PolarHBondContact NH1-OG 3.15Å; R701-S863 PolarHBondContact NH2-OG 2.97Å; T861-S863 PolarHBondContact O-N 3.38Å; S863-V865 PolarHBondContact O-N 2.87Å; S863-V865 VanDerWaalsContact O-N 3.17Å | ||
| 864 | I | 66.5 | Low | 59.6 | Low | 125 Ų | 125 | 72 Ų | 72 | 64% | 0.641 | 41% | 0.414 | S | S | * | . | trans | -41 | 119.2 | 177.5 | -62.7 | 175.9 | 0 | 0 | 0 | 110.6 | G862 T866 | G862-I864 VanDerWaalsContact C-N 3.34Å; G862-I864 PolarHBondContact O-N 2.95Å; I864-T866 HydrophobicContact CG2-CG2 4.23Å; I864-T866 PolarHBondContact O-N 2.99Å | ||
| 865 | V | 79.1 | Confident | 62.4 | Low | 32 Ų | 32 | 69 Ų | 69 | 19% | 0.194 | 39% | 0.387 | C | S | . | . | trans | -79.4 | 85.1 | -176.3 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | L697 R701 S863 L870 | L697-V865 HydrophobicContact CB-CB 4.03Å; L697-V865 HydrophobicContact CB-CG1 3.89Å; R701-V865 HydrophobicContact CB-CG1 4.21Å; S863-V865 PolarHBondContact O-N 2.87Å; S863-V865 VanDerWaalsContact O-N 3.17Å; V865-L870 HydrophobicContact CG1-CD1 3.97Å; V865-L870 HydrophobicContact CG1-CD2 3.66Å; V865-L870 HydrophobicContact CG1-CG 3.75Å | ||
| 866 | T | 83.8 | Confident | 65.5 | Low | 48 Ų | 48 | 62.9 Ų | 62.9 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | trans | -72.9 | 152.3 | 178.4 | 67.7 | 0 | 0 | 0 | 0 | 112.2 | I864 A868 N869 L870 | I864-T866 HydrophobicContact CG2-CG2 4.23Å; I864-T866 PolarHBondContact O-N 2.99Å; T866-A868 PolarHBondContact O-N 3.17Å; T866-N869 WeakPolarHBondContact O-CB 3.32Å; T866-N869 PolarHBondContact O-N 3.1Å; T866-N869 PolarHBondContact OG1-N 2.96Å; T866-L870 PolarHBondContact O-N 3.07Å | ||
| 867 | R | 85.5 | Confident | 68.4 | Low | 32 Ų | 32 | 58 Ų | 58 | 12% | 0.121 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -51.1 | -40.9 | 171.5 | -174.8 | 177.3 | 78.2 | -162.8 | 7 | 112.5 | I771 L774 N869 L870 A871 | I771-R867 HydrophobicContact CG2-CG 4.09Å; I771-R867 VanDerWaalsContact O-CD 3.25Å; I771-R867 WeakPolarHBondContact O-CD 3.27Å; I771-R867 WeakPolarHBondContact O-CG 3.36Å; L774-R867 HydrophobicContact CB-CB 4.29Å; L774-R867 HydrophobicContact CB-CG 4.14Å; L774-R867 VanDerWaalsContact O-CD 3.23Å; L774-R867 WeakPolarHBondContact O-CD 3.44Å; L774-R867 PolarHBondContact O-NH1 2.86Å; R867-N869 PolarHBondContact O-N 3.29Å; R867-L870 PolarHBondContact O-N 3.05Å; R867-A871 VanDerWaalsContact O-CB 3.31Å; R867-A871 WeakPolarHBondContact O-CB 3.14Å; R867-A871 PolarHBondContact O-N 3.28Å |
| 868 | A | 83.4 | Confident | 71.4 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 23% | 0.231 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T866 A871 G872 P897 | T866-A868 PolarHBondContact O-N 3.17Å; A868-A871 PolarHBondContact O-N 3.45Å; A868-G872 PolarHBondContact O-N 3.03Å; A868-P897 HydrophobicContact CB-CG 4.48Å |
| 869 | N | 87.6 | Confident | 73.7 | Confident | 53 Ų | 53 | 45.7 Ų | 45.7 | 28% | 0.283 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 176 | -164.3 | -94.1 | 0 | 0 | 0 | 111.6 | R701 T866 R867 G872 L873 | R701-N869 PolarHBondContact NE-OD1 2.85Å; T866-N869 WeakPolarHBondContact O-CB 3.32Å; T866-N869 PolarHBondContact O-N 3.1Å; T866-N869 PolarHBondContact OG1-N 2.96Å; R867-N869 PolarHBondContact O-N 3.29Å; N869-G872 PolarHBondContact O-N 2.8Å; N869-L873 WeakPolarHBondContact O-CG 3.44Å; N869-L873 PolarHBondContact O-N 2.72Å |
| 870 | L | 89.7 | Confident | 76.2 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.9 | -40.4 | 177 | -62.8 | 175.7 | 0 | 0 | 0 | 111.9 | L697 L700 R701 L704 I771 L774 V865 T866 R867 L873 L874 | L697-L870 HydrophobicContact CD2-CD1 4.11Å; L700-L870 HydrophobicContact CD2-CD1 4.02Å; L700-L870 HydrophobicContact CD2-CD2 4.29Å; L700-L870 HydrophobicContact CG-CD2 4.14Å; R701-L870 HydrophobicContact CB-CD2 4.03Å; L704-L870 HydrophobicContact CD1-CB 4.46Å; L704-L870 HydrophobicContact CD1-CD2 4.06Å; I771-L870 HydrophobicContact CD1-CB 4.24Å; I771-L870 HydrophobicContact CG2-CB 4.25Å; L774-L870 HydrophobicContact CD1-CD1 3.8Å; V865-L870 HydrophobicContact CG1-CD1 3.97Å; V865-L870 HydrophobicContact CG1-CD2 3.66Å; V865-L870 HydrophobicContact CG1-CG 3.75Å; T866-L870 PolarHBondContact O-N 3.07Å; R867-L870 PolarHBondContact O-N 3.05Å; L870-L873 PolarHBondContact O-N 3.33Å; L870-L874 WeakPolarHBondContact O-CB 3.39Å; L870-L874 PolarHBondContact O-N 3.4Å |
| 871 | A | 87.8 | Confident | 78.4 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I771 R867 A868 L874 R875 V892 L895 | I771-A871 HydrophobicContact CG2-CB 4.43Å; R867-A871 VanDerWaalsContact O-CB 3.31Å; R867-A871 WeakPolarHBondContact O-CB 3.14Å; R867-A871 PolarHBondContact O-N 3.28Å; A868-A871 PolarHBondContact O-N 3.45Å; A871-L874 PolarHBondContact O-N 2.86Å; A871-R875 PolarHBondContact O-N 3.36Å; A871-V892 HydrophobicContact CB-CG1 4.14Å; A871-V892 VanDerWaalsContact O-CG1 3.24Å; A871-V892 WeakPolarHBondContact O-CG1 3.35Å; A871-L895 HydrophobicContact CB-CB 3.99Å; A871-L895 HydrophobicContact CB-CD1 4.4Å |
| 872 | G | 87.3 | Confident | 80.8 | Confident | 19 Ų | 19 | 37 Ų | 37 | 20% | 0.196 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.8 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A868 N869 R875 S876 | A868-G872 PolarHBondContact O-N 3.03Å; N869-G872 PolarHBondContact O-N 2.8Å; G872-R875 WeakPolarHBondContact O-CB 3.42Å; G872-S876 PolarHBondContact O-N 3.1Å; G872-S876 PolarHBondContact O-OG 3Å; G872-S876 VanDerWaalsContact O-OG 3.07Å |
| 873 | L | 89.5 | Confident | 82.8 | Confident | 28 Ų | 28 | 37 Ų | 37 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.3 | -47.2 | 171.5 | -71.8 | 172 | 0 | 0 | 0 | 111.1 | R701 L704 K705 V708 N869 L870 R875 S876 S877 | R701-L873 HydrophobicContact CG-CD1 3.74Å; L704-L873 HydrophobicContact CB-CB 3.97Å; L704-L873 HydrophobicContact CB-CD1 4.25Å; K705-L873 HydrophobicContact CG-CD1 4.18Å; K705-L873 HydrophobicContact CG-CD2 3.95Å; V708-L873 HydrophobicContact CG2-CB 4.47Å; V708-L873 HydrophobicContact CG2-CD2 4.29Å; V708-L873 WeakPolarHBondContact CG2-O 3.42Å; N869-L873 WeakPolarHBondContact O-CG 3.44Å; N869-L873 PolarHBondContact O-N 2.72Å; L870-L873 PolarHBondContact O-N 3.33Å; L873-R875 PolarHBondContact O-N 2.89Å; L873-S876 PolarHBondContact O-N 3.42Å; L873-S876 VanDerWaalsContact O-N 3.17Å; L873-S876 PolarHBondContact O-OG 3.4Å; L873-S877 PolarHBondContact O-N 3.4Å |
| 874 | L | 91 | Very high | 84.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.3 | -49.7 | 177.1 | -177.3 | 56.8 | 0 | 0 | 0 | 111.7 | L704 W759 L764 L767 V768 I771 L870 A871 S876 S877 V892 | L704-L874 HydrophobicContact CD2-CD1 4.44Å; W759-L874 HydrophobicContact CZ2-CD1 4.08Å; L764-L874 HydrophobicContact CD1-CD1 4.01Å; L764-L874 HydrophobicContact CD1-CD2 4.49Å; L767-L874 HydrophobicContact CD2-CD1 3.65Å; L767-L874 HydrophobicContact CD2-CD2 3.9Å; L767-L874 HydrophobicContact CD2-CG 4.33Å; V768-L874 HydrophobicContact CG2-CD2 3.65Å; I771-L874 HydrophobicContact CD1-CD2 4.17Å; L870-L874 WeakPolarHBondContact O-CB 3.39Å; L870-L874 PolarHBondContact O-N 3.4Å; A871-L874 PolarHBondContact O-N 2.86Å; L874-S876 VanDerWaalsContact C-N 3.29Å; L874-S876 PolarHBondContact O-N 3.18Å; L874-S877 PolarHBondContact O-N 3.15Å; L874-S877 PolarHBondContact O-OG 3.3Å; L874-V892 HydrophobicContact CD2-CG2 4.06Å; L874-V892 HydrophobicContact CG-CG2 4.47Å |
| 875 | R | 88.1 | Confident | 85.3 | Confident | 57 Ų | 57 | 29.3 Ų | 29.3 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -44.9 | -54.4 | 171.8 | 160.8 | -177.8 | -168.9 | 176.9 | 11.8 | 111.4 | A871 G872 L873 S877 L878 L889 V892 E955 L959 | A871-R875 PolarHBondContact O-N 3.36Å; G872-R875 WeakPolarHBondContact O-CB 3.42Å; L873-R875 PolarHBondContact O-N 2.89Å; R875-S877 PolarHBondContact O-N 3.37Å; R875-S877 VanDerWaalsContact O-N 3.1Å; R875-L878 PolarHBondContact O-N 2.93Å; R875-L889 HydrophobicContact CB-CD1 4.06Å; R875-L889 HydrophobicContact CG-CD1 3.72Å; R875-V892 HydrophobicContact CB-CG1 3.79Å; R875-E955 IonicContact CZ-OE1 2.7Å; R875-E955 VanDerWaalsContact NH1-CD 3.32Å; R875-E955 IonicContact NH1-OE1 2.77Å; R875-E955 PolarHBondContact NH1-OE1 2.88Å; R875-L959 VanDerWaalsContact CZ-CD2 3.4Å; R875-L959 VanDerWaalsContact CZ-CG 3.45Å |
| 876 | S | 86.3 | Confident | 85.7 | Confident | 41 Ų | 41 | 27.9 Ų | 27.9 | 29% | 0.287 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -71.2 | -4.3 | -172.2 | 61.5 | 0 | 0 | 0 | 0 | 114 | V708 Q712 G872 L873 L874 | V708-S876 WeakPolarHBondContact CG2-OG 3.28Å; Q712-S876 PolarHBondContact NE2-O 3.34Å; Q712-S876 VanDerWaalsContact NE2-O 3.08Å; G872-S876 PolarHBondContact O-N 3.1Å; G872-S876 PolarHBondContact O-OG 3Å; G872-S876 VanDerWaalsContact O-OG 3.07Å; L873-S876 PolarHBondContact O-N 3.42Å; L873-S876 VanDerWaalsContact O-N 3.17Å; L873-S876 PolarHBondContact O-OG 3.4Å; L874-S876 VanDerWaalsContact C-N 3.29Å; L874-S876 PolarHBondContact O-N 3.18Å |
| 877 | S | 87.8 | Confident | 85.9 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -0.6 | 170.3 | 78.8 | 0 | 0 | 0 | 0 | 115 | A711 W759 L873 L874 R875 P879 | A711-S877 WeakPolarHBondContact CB-O 3.41Å; W759-S877 PolarHBondContact NE1-OG 3.32Å; L873-S877 PolarHBondContact O-N 3.4Å; L874-S877 PolarHBondContact O-N 3.15Å; L874-S877 PolarHBondContact O-OG 3.3Å; R875-S877 PolarHBondContact O-N 3.37Å; R875-S877 VanDerWaalsContact O-N 3.1Å; S877-P879 WeakPolarHBondContact O-CD 3.37Å |
| 878 | L | 85.9 | Confident | 86 | Confident | 20 Ų | 20 | 24 Ų | 24 | 11% | 0.105 | 14% | 0.137 | C | C | . | . | trans | -100.4 | 108.9 | -175 | -64.9 | 177.7 | 0 | 0 | 0 | 113.1 | L764 R875 L880 Q885 A888 L889 | L764-L878 HydrophobicContact CD1-CD2 3.75Å; L764-L878 HydrophobicContact CD2-CD2 3.75Å; L764-L878 HydrophobicContact CG-CD2 4.44Å; R875-L878 PolarHBondContact O-N 2.93Å; L878-L880 PolarHBondContact O-N 2.95Å; L878-Q885 HydrophobicContact CD2-CG 4.42Å; L878-A888 HydrophobicContact CD1-CB 4.08Å; L878-L889 HydrophobicContact CD1-CB 4.43Å | ||
| 879 | P | 75.3 | Confident | 86.2 | Confident | 34 Ų | 34 | 23 Ų | 23 | 22% | 0.221 | 13% | 0.127 | C | C | . | . | trans | -92 | 95.6 | 170.6 | 10.5 | 10.4 | 0 | 0 | 0 | 108.5 | R758 S877 I881 Q885 | R758-P879 PolarHBondContact NH1-O 2.71Å; R758-P879 PolarHBondContact NH2-O 3.04Å; S877-P879 WeakPolarHBondContact O-CD 3.37Å; P879-I881 WeakPolarHBondContact O-CG1 3.13Å; P879-I881 PolarHBondContact O-N 3.31Å; P879-Q885 PolarHBondContact O-OE1 3.04Å | ||
| 880 | L | 79.1 | Confident | 86.2 | Confident | 26 Ų | 26 | 20.5 Ų | 20.5 | 14% | 0.136 | 11% | 0.114 | C | C | . | . | trans | -55.2 | 98.3 | -169.7 | -58 | 173 | 0 | 0 | 0 | 113.6 | L878 Q885 L886 L889 T962 H966 | L878-L880 PolarHBondContact O-N 2.95Å; L880-Q885 HydrophobicContact CD2-CB 4.38Å; L880-L886 HydrophobicContact CD1-CD1 4.43Å; L880-L886 HydrophobicContact CD2-CD1 4.46Å; L880-L889 HydrophobicContact CD1-CD2 3.59Å; L880-L889 HydrophobicContact CD2-CB 3.96Å; L880-L889 HydrophobicContact CD2-CD2 3.75Å; L880-L889 HydrophobicContact CD2-CG 4.45Å; L880-L889 HydrophobicContact CG-CD2 4.2Å; L880-T962 HydrophobicContact CD1-CG2 4.08Å; L880-H966 WeakPolarHBondContact CD1-NE2 3.45Å | ||
| 881 | I | 79.2 | Confident | 86 | Confident | 88 Ų | 88 | 21 Ų | 21 | 45% | 0.451 | 12% | 0.116 | S | C | . | . | trans | -130.3 | -8.2 | -179.3 | -67.6 | -169.4 | 0 | 0 | 0 | 113 | R758 P879 Y1004 | R758-I881 VanDerWaalsContact NH2-CD1 3.31Å; P879-I881 WeakPolarHBondContact O-CG1 3.13Å; P879-I881 PolarHBondContact O-N 3.31Å; I881-Y1004 VanDerWaalsContact O-CD2 3.25Å; I881-Y1004 WeakPolarHBondContact O-CD2 3.43Å; I881-Y1004 WeakPolarHBondContact O-CE2 3.35Å | ||
| 882 | N | 84.3 | Confident | 85.9 | Confident | 59 Ų | 59 | 21.1 Ų | 21.1 | 32% | 0.316 | 12% | 0.117 | S | C | . | . | S | Bend | trans | -145.7 | 162.2 | 174.8 | 66.2 | 21.5 | 0 | 0 | 0 | 113.8 | V884 Q885 L886 Y1004 | N882-V884 PolarHBondContact O-N 3.03Å; N882-V884 PolarHBondContact OD1-N 3.25Å; N882-Q885 PolarHBondContact O-N 3.07Å; N882-Q885 WeakPolarHBondContact OD1-CB 3.36Å; N882-Q885 WeakPolarHBondContact OD1-CG 3.37Å; N882-Q885 PolarHBondContact OD1-N 2.76Å; N882-L886 PolarHBondContact O-N 3.06Å; N882-Y1004 VanDerWaalsContact C-CE1 3.45Å |
| 883 | D | 85.7 | Confident | 85.6 | Confident | 24 Ų | 24 | 20.2 Ų | 20.2 | 13% | 0.128 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -49.7 | -39.2 | 177 | -79.4 | -17.7 | 0 | 0 | 0 | 113.5 | L182 Q885 L886 L887 Y1004 S1006 N1008 V1011 | L182-D883 HydrophobicContact CD1-CB 4.46Å; L182-D883 HydrophobicContact CD2-CB 3.67Å; D883-Q885 PolarHBondContact O-N 3.23Å; D883-L886 PolarHBondContact O-N 3.2Å; D883-L887 WeakPolarHBondContact O-CB 3.42Å; D883-L887 WeakPolarHBondContact O-CG 3.44Å; D883-L887 PolarHBondContact O-N 3.22Å; D883-Y1004 PolarHBondContact N-OH 3.39Å; D883-Y1004 PolarHBondContact OD1-OH 2.8Å; D883-S1006 WeakPolarHBondContact OD1-CB 3.28Å; D883-S1006 PolarHBondContact OD1-OG 2.91Å; D883-N1008 VanDerWaalsContact OD2-CB 3.31Å; D883-N1008 WeakPolarHBondContact OD2-CB 3.32Å; D883-N1008 PolarHBondContact OD2-ND2 2.98Å; D883-V1011 HydrophobicContact CB-CG2 3.98Å |
| 884 | V | 86.9 | Confident | 85.1 | Confident | 15 Ų | 15 | 21.3 Ų | 21.3 | 9% | 0.091 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 179 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | I181 L182 L185 P761 L764 N882 L886 A888 | I181-V884 HydrophobicContact CB-CG2 4.45Å; I181-V884 HydrophobicContact CG2-CB 4.43Å; I181-V884 HydrophobicContact CG2-CG1 3.72Å; I181-V884 HydrophobicContact CG2-CG2 3.76Å; L182-V884 HydrophobicContact CD2-CB 4.44Å; L182-V884 HydrophobicContact CD2-CG2 3.69Å; L185-V884 HydrophobicContact CD1-CG1 4.14Å; P761-V884 HydrophobicContact CB-CG1 4.31Å; L764-V884 HydrophobicContact CD2-CG1 4.44Å; N882-V884 PolarHBondContact O-N 3.03Å; N882-V884 PolarHBondContact OD1-N 3.25Å; V884-L886 VanDerWaalsContact C-N 3.34Å; V884-A888 WeakPolarHBondContact O-CB 3.37Å; V884-A888 PolarHBondContact O-N 3.18Å |
| 885 | Q | 88.5 | Confident | 84.4 | Confident | 11 Ų | 11 | 22 Ų | 22 | 5% | 0.051 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -70.4 | -31.1 | 176 | -69.8 | 154.3 | 15.9 | 0 | 0 | 112 | L764 L878 P879 L880 N882 D883 L889 | L764-Q885 HydrophobicContact CD2-CG 3.86Å; L878-Q885 HydrophobicContact CD2-CG 4.42Å; P879-Q885 PolarHBondContact O-OE1 3.04Å; L880-Q885 HydrophobicContact CD2-CB 4.38Å; N882-Q885 PolarHBondContact O-N 3.07Å; N882-Q885 WeakPolarHBondContact OD1-CB 3.36Å; N882-Q885 WeakPolarHBondContact OD1-CG 3.37Å; N882-Q885 PolarHBondContact OD1-N 2.76Å; D883-Q885 PolarHBondContact O-N 3.23Å; Q885-L889 WeakPolarHBondContact O-CB 3.42Å; Q885-L889 PolarHBondContact O-N 2.98Å |
| 886 | L | 87.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -72.7 | -44.4 | 178 | -161.4 | 66.4 | 0 | 0 | 0 | 111.7 | L880 N882 D883 V884 L889 A890 L963 H966 V1011 L1015 | L880-L886 HydrophobicContact CD1-CD1 4.43Å; L880-L886 HydrophobicContact CD2-CD1 4.46Å; N882-L886 PolarHBondContact O-N 3.06Å; D883-L886 PolarHBondContact O-N 3.2Å; V884-L886 VanDerWaalsContact C-N 3.34Å; L886-L889 PolarHBondContact O-N 3.23Å; L886-A890 WeakPolarHBondContact O-CB 3.06Å; L886-A890 PolarHBondContact O-N 3.5Å; L886-L963 HydrophobicContact CD1-CD2 3.53Å; L886-L963 HydrophobicContact CG-CD2 4.09Å; L886-H966 HydrophobicContact CD1-CB 3.57Å; L886-H966 HydrophobicContact CD2-CB 3.98Å; L886-H966 HydrophobicContact CG-CB 4.47Å; L886-V1011 HydrophobicContact CD2-CG1 3.94Å; L886-V1011 HydrophobicContact CG-CG1 4.49Å; L886-L1015 HydrophobicContact CD2-CD1 4.17Å; L886-L1015 HydrophobicContact CG-CD1 4.46Å |
| 887 | L | 87.4 | Confident | 82.3 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.7 | -38.7 | 170.6 | -71.3 | 179.6 | 0 | 0 | 0 | 112.2 | L182 L185 I189 D883 L889 A890 Q891 V1011 A1014 | L182-L887 HydrophobicContact CB-CD1 4.02Å; L182-L887 HydrophobicContact CD2-CD1 3.79Å; L185-L887 HydrophobicContact CB-CB 3.92Å; L185-L887 HydrophobicContact CB-CD1 4.09Å; L185-L887 HydrophobicContact CD1-CB 4.06Å; I189-L887 HydrophobicContact CD1-CB 4.39Å; I189-L887 HydrophobicContact CD1-CD2 3.8Å; D883-L887 WeakPolarHBondContact O-CB 3.42Å; D883-L887 WeakPolarHBondContact O-CG 3.44Å; D883-L887 PolarHBondContact O-N 3.22Å; L887-L889 VanDerWaalsContact C-N 3.32Å; L887-L889 PolarHBondContact O-N 3.43Å; L887-A890 PolarHBondContact O-N 3.09Å; L887-Q891 PolarHBondContact O-N 2.98Å; L887-V1011 HydrophobicContact CD1-CG2 4.11Å; L887-V1011 HydrophobicContact CD2-CB 4.35Å; L887-V1011 HydrophobicContact CD2-CG1 4.1Å; L887-V1011 HydrophobicContact CD2-CG2 4.2Å; L887-V1011 HydrophobicContact CG-CG1 4.33Å; L887-V1011 HydrophobicContact CG-CG2 4.04Å; L887-A1014 HydrophobicContact CD2-CB 3.83Å |
| 888 | A | 88.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.9 | -44.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L764 V768 L878 V884 V892 | L764-A888 HydrophobicContact CD1-CB 4.14Å; L764-A888 HydrophobicContact CD2-CB 3.94Å; L764-A888 HydrophobicContact CG-CB 4.02Å; V768-A888 HydrophobicContact CG2-CB 3.75Å; L878-A888 HydrophobicContact CD1-CB 4.08Å; V884-A888 WeakPolarHBondContact O-CB 3.37Å; V884-A888 PolarHBondContact O-N 3.18Å; A888-V892 WeakPolarHBondContact O-CB 3.36Å; A888-V892 VanDerWaalsContact O-CG2 3.27Å; A888-V892 WeakPolarHBondContact O-CG2 3.5Å; A888-V892 PolarHBondContact O-N 3.17Å |
| 889 | L | 87.7 | Confident | 78.6 | Confident | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.037 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.5 | -39.2 | 175.7 | -176 | 64.1 | 0 | 0 | 0 | 112.2 | R875 L878 L880 Q885 L886 L887 V892 A893 L959 L963 | R875-L889 HydrophobicContact CB-CD1 4.06Å; R875-L889 HydrophobicContact CG-CD1 3.72Å; L878-L889 HydrophobicContact CD1-CB 4.43Å; L880-L889 HydrophobicContact CD1-CD2 3.59Å; L880-L889 HydrophobicContact CD2-CB 3.96Å; L880-L889 HydrophobicContact CD2-CD2 3.75Å; L880-L889 HydrophobicContact CD2-CG 4.45Å; L880-L889 HydrophobicContact CG-CD2 4.2Å; Q885-L889 WeakPolarHBondContact O-CB 3.42Å; Q885-L889 PolarHBondContact O-N 2.98Å; L886-L889 PolarHBondContact O-N 3.23Å; L887-L889 VanDerWaalsContact C-N 3.32Å; L887-L889 PolarHBondContact O-N 3.43Å; L889-V892 PolarHBondContact O-N 3.46Å; L889-A893 WeakPolarHBondContact O-CB 3.29Å; L889-A893 PolarHBondContact O-N 2.98Å; L889-L959 HydrophobicContact CD1-CD2 3.42Å; L889-L959 VanDerWaalsContact CD1-CD2 3.42Å; L889-L959 HydrophobicContact CD2-CD2 4.17Å; L889-L959 HydrophobicContact CG-CD2 3.81Å; L889-L963 HydrophobicContact CB-CD2 4.16Å; L889-L963 HydrophobicContact CD2-CD2 3.78Å; L889-L963 HydrophobicContact CD2-CG 4.32Å; L889-L963 HydrophobicContact CG-CD2 4.03Å |
| 890 | A | 86.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.8 | -49.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I189 L886 L887 V892 A893 L894 L963 L1015 L1018 | I189-A890 HydrophobicContact CD1-CB 3.77Å; L886-A890 WeakPolarHBondContact O-CB 3.06Å; L886-A890 PolarHBondContact O-N 3.5Å; L887-A890 PolarHBondContact O-N 3.09Å; A890-V892 VanDerWaalsContact C-N 3.33Å; A890-V892 PolarHBondContact O-N 2.76Å; A890-A893 WeakPolarHBondContact O-CA 3.46Å; A890-A893 WeakPolarHBondContact O-CB 3.5Å; A890-A893 PolarHBondContact O-N 3.41Å; A890-L894 PolarHBondContact O-N 3.12Å; A890-L963 HydrophobicContact CB-CD1 4.29Å; A890-L1015 HydrophobicContact CB-CD2 3.7Å; A890-L1018 HydrophobicContact CB-CD1 3.8Å; A890-L1018 WeakPolarHBondContact O-CD1 3.46Å |
| 891 | Q | 86.7 | Confident | 74.4 | Confident | 11 Ų | 11 | 35.2 Ų | 35.2 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 177.1 | -173.6 | 61.8 | 1.4 | 0 | 0 | 111.7 | S188 I189 V768 L887 A893 L894 L895 | S188-Q891 PolarHBondContact O-NE2 2.79Å; S188-Q891 PolarHBondContact O-OE1 2.78Å; S188-Q891 VanDerWaalsContact O-OE1 3.07Å; S188-Q891 PolarHBondContact OG-NE2 3.26Å; I189-Q891 HydrophobicContact CD1-CB 4.33Å; I189-Q891 HydrophobicContact CG1-CB 3.91Å; V768-Q891 HydrophobicContact CG1-CB 3.73Å; V768-Q891 HydrophobicContact CG1-CG 3.67Å; L887-Q891 PolarHBondContact O-N 2.98Å; Q891-A893 VanDerWaalsContact C-N 3.25Å; Q891-A893 PolarHBondContact O-N 3.15Å; Q891-L894 PolarHBondContact O-N 2.98Å; Q891-L894 VanDerWaalsContact O-N 3.13Å; Q891-L895 WeakPolarHBondContact O-CG 3.25Å |
| 892 | V | 84.6 | Confident | 72 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.6 | -34 | 172.9 | 162 | 0 | 0 | 0 | 0 | 112.2 | A871 L874 R875 A888 L889 A890 L894 L895 V896 | A871-V892 HydrophobicContact CB-CG1 4.14Å; A871-V892 VanDerWaalsContact O-CG1 3.24Å; A871-V892 WeakPolarHBondContact O-CG1 3.35Å; L874-V892 HydrophobicContact CD2-CG2 4.06Å; L874-V892 HydrophobicContact CG-CG2 4.47Å; R875-V892 HydrophobicContact CB-CG1 3.79Å; A888-V892 WeakPolarHBondContact O-CB 3.36Å; A888-V892 VanDerWaalsContact O-CG2 3.27Å; A888-V892 WeakPolarHBondContact O-CG2 3.5Å; A888-V892 PolarHBondContact O-N 3.17Å; L889-V892 PolarHBondContact O-N 3.46Å; A890-V892 VanDerWaalsContact C-N 3.33Å; A890-V892 PolarHBondContact O-N 2.76Å; V892-L894 VanDerWaalsContact C-N 3.28Å; V892-L894 PolarHBondContact O-N 2.93Å; V892-L895 PolarHBondContact O-N 3.14Å; V892-V896 PolarHBondContact O-N 3.35Å |
| 893 | A | 82.2 | Confident | 69.3 | Low | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.6 | -15.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L889 A890 Q891 L959 L1018 | L889-A893 WeakPolarHBondContact O-CB 3.29Å; L889-A893 PolarHBondContact O-N 2.98Å; A890-A893 WeakPolarHBondContact O-CA 3.46Å; A890-A893 WeakPolarHBondContact O-CB 3.5Å; A890-A893 PolarHBondContact O-N 3.41Å; Q891-A893 VanDerWaalsContact C-N 3.25Å; Q891-A893 PolarHBondContact O-N 3.15Å; A893-L959 HydrophobicContact CB-CB 3.85Å; A893-L959 HydrophobicContact CB-CD1 3.67Å; A893-L959 HydrophobicContact CB-CD2 4.1Å; A893-L959 HydrophobicContact CB-CG 4.06Å; A893-L1018 HydrophobicContact CB-CD1 4.26Å |
| 894 | L | 77.7 | Confident | 66.6 | Low | 51 Ų | 51 | 47.8 Ų | 47.8 | 27% | 0.267 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -81.6 | -17.7 | 167.1 | -63.4 | -175.2 | 0 | 0 | 0 | 112.9 | I189 A890 Q891 V892 L1018 | I189-L894 HydrophobicContact CB-CD1 4.48Å; I189-L894 HydrophobicContact CG2-CD1 4.16Å; A890-L894 PolarHBondContact O-N 3.12Å; Q891-L894 PolarHBondContact O-N 2.98Å; Q891-L894 VanDerWaalsContact O-N 3.13Å; V892-L894 VanDerWaalsContact C-N 3.28Å; V892-L894 PolarHBondContact O-N 2.93Å; L894-L1018 HydrophobicContact CD2-CD1 4.01Å; L894-L1018 HydrophobicContact CD2-CG 3.75Å; L894-L1018 HydrophobicContact CG-CD1 4.05Å; L894-L1018 HydrophobicContact CG-CG 4.35Å |
| 895 | L | 76.3 | Confident | 63.7 | Low | 14 Ų | 14 | 50.2 Ų | 50.2 | 7% | 0.073 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -94.6 | -15.1 | -174.8 | -59 | 175.5 | 0 | 0 | 0 | 114.4 | I771 A871 Q891 V892 | I771-L895 HydrophobicContact CG2-CD1 4.22Å; A871-L895 HydrophobicContact CB-CB 3.99Å; A871-L895 HydrophobicContact CB-CD1 4.4Å; Q891-L895 WeakPolarHBondContact O-CG 3.25Å; V892-L895 PolarHBondContact O-N 3.14Å |
| 896 | V | 70.6 | Confident | 60.7 | Low | 14 Ų | 14 | 56.2 Ų | 56.2 | 9% | 0.085 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -87.2 | 125.5 | 174.2 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | V892 E955 | V892-V896 PolarHBondContact O-N 3.35Å; V896-E955 HydrophobicContact CG1-CB 4.43Å; V896-E955 HydrophobicContact CG1-CG 4.48Å |
| 897 | P | 60.9 | Low | 57.9 | Low | 80 Ų | 80 | 60.1 Ų | 60.1 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 140.4 | 177.2 | -26.3 | 35 | 0 | 0 | 0 | 113.1 | A868 | A868-P897 HydrophobicContact CB-CG 4.48Š|
| 898 | G | 54.5 | Low | 55.1 | Low | 33 Ų | 33 | 63.3 Ų | 63.3 | 34% | 0.34 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 170.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T900 | G898-T900 PolarHBondContact O-N 2.62Å; G898-T900 VanDerWaalsContact O-N 3.12Å |
| 899 | P | 42 | Very low | 52.2 | Low | 101 Ų | 101 | 72.4 Ų | 72.4 | 66% | 0.656 | 45% | 0.452 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 116 | 177.6 | 27 | -33 | 0 | 0 | 0 | 109.9 | ||
| 900 | T | 34.5 | Very low | 49.5 | Very low | 108 Ų | 108 | 77.5 Ų | 77.5 | 66% | 0.663 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -86.9 | 118.5 | 172.5 | 40.5 | 0 | 0 | 0 | 0 | 108.5 | G898 T902 | G898-T900 PolarHBondContact O-N 2.62Å; G898-T900 VanDerWaalsContact O-N 3.12Å; T900-T902 PolarHBondContact O-N 2.61Å |
| 901 | N | 30.2 | Very low | 46.7 | Very low | 121 Ų | 121 | 85.3 Ų | 85.3 | 65% | 0.647 | 53% | 0.529 | S | S | * | . | trans | -75.5 | 59.7 | 175.3 | -86.7 | -3 | 0 | 0 | 0 | 111.5 | N903 | N901-N903 PolarHBondContact O-N 3.17Š| ||
| 902 | T | 29 | Very low | 44.1 | Very low | 120 Ų | 120 | 90.4 Ų | 90.4 | 74% | 0.736 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | 54.4 | 166.1 | 56 | 0 | 0 | 0 | 0 | 110.4 | T900 | T900-T902 PolarHBondContact O-N 2.61Š|
| 903 | N | 27.6 | Very low | 41.5 | Very low | 160 Ų | 160 | 94.4 Ų | 94.4 | 86% | 0.856 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.6 | 36.1 | 170.9 | -116.9 | -6.2 | 0 | 0 | 0 | 112.4 | N901 G905 | N901-N903 PolarHBondContact O-N 3.17Å; N903-G905 VanDerWaalsContact C-N 3.33Å; N903-G905 PolarHBondContact O-N 3.12Å |
| 904 | L | 28.6 | Very low | 39 | Very low | 156 Ų | 156 | 97.6 Ų | 97.6 | 82% | 0.817 | 64% | 0.64 | S | S | * | * | trans | -90.8 | 74.4 | 163.4 | -156.8 | 76.4 | 0 | 0 | 0 | 109.2 | T906 | L904-T906 PolarHBondContact O-N 3.34Å; L904-T906 VanDerWaalsContact O-N 3.12Å | ||
| 905 | G | 27.4 | Very low | 36.6 | Very low | 65 Ų | 65 | 101 Ų | 101 | 67% | 0.67 | 66% | 0.664 | S | S | * | * | trans | -68.1 | 104.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | N903 S907 | N903-G905 VanDerWaalsContact C-N 3.33Å; N903-G905 PolarHBondContact O-N 3.12Å; G905-S907 PolarHBondContact O-N 2.95Å | ||
| 906 | T | 25.2 | Very low | 34.4 | Very low | 138 Ų | 138 | 106.9 Ų | 106.9 | 85% | 0.847 | 70% | 0.695 | S | S | * | * | trans | -72.4 | 76.7 | 173.1 | 50.7 | 0 | 0 | 0 | 0 | 110.8 | L904 | L904-T906 PolarHBondContact O-N 3.34Å; L904-T906 VanDerWaalsContact O-N 3.12Å | ||
| 907 | S | 27.8 | Very low | 32.5 | Very low | 83 Ų | 83 | 112.2 Ų | 112.2 | 58% | 0.58 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 137 | 162.5 | 49.4 | 0 | 0 | 0 | 0 | 109.2 | G905 | G905-S907 PolarHBondContact O-N 2.95Š|
| 908 | G | 30 | Very low | 31.1 | Very low | 67 Ų | 67 | 113.8 Ų | 113.8 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 153.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | S910 | G908-S910 PolarHBondContact O-N 2.84Š|
| 909 | M | 26.1 | Very low | 29.8 | Very low | 191 Ų | 191 | 117.2 Ų | 117.2 | 94% | 0.941 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 127.7 | 168.5 | -62.3 | 144.6 | 64.3 | 0 | 0 | 110.2 | ||
| 910 | S | 30.8 | Very low | 29.3 | Very low | 113 Ų | 113 | 120.6 Ų | 120.6 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | trans | -129.9 | 115.7 | 165.1 | 49.8 | 0 | 0 | 0 | 0 | 109.5 | G908 S912 | G908-S910 PolarHBondContact O-N 2.84Å; S910-S912 PolarHBondContact O-N 2.77Å | ||
| 911 | N | 27.5 | Very low | 29.1 | Very low | 164 Ų | 164 | 123.5 Ų | 123.5 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | -82.4 | 111.5 | -173.4 | -94.5 | -6 | 0 | 0 | 0 | 112.1 | ||||
| 912 | S | 32.4 | Very low | 29.3 | Very low | 119 Ų | 119 | 123 Ų | 123 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -169 | 129.8 | 150.1 | 56.1 | 0 | 0 | 0 | 0 | 109.5 | S910 | S910-S912 PolarHBondContact O-N 2.77Š| ||
| 913 | G | 29.4 | Very low | 29.5 | Very low | 85 Ų | 85 | 125.5 Ų | 125.5 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | cis | 160 | 124.6 | -6.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 914 | G | 29.6 | Very low | 29.4 | Very low | 66 Ų | 66 | 123.3 Ų | 123.3 | 68% | 0.68 | 78% | 0.784 | S | S | * | * | trans | 125.4 | 108.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 915 | T | 28.1 | Very low | 29.4 | Very low | 124 Ų | 124 | 121.7 Ų | 121.7 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | 31.5 | 125.4 | 125.6 | 53.2 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 916 | N | 29.7 | Very low | 29.5 | Very low | 137 Ų | 137 | 122 Ų | 122 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | cis | -166.1 | 154.5 | 36.9 | -103.8 | -21.1 | 0 | 0 | 0 | 113.8 | ||||
| 917 | V | 30.5 | Very low | 29.7 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | 49 | 128 | 134.2 | -177.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 918 | S | 33.1 | Very low | 29.7 | Very low | 113 Ų | 113 | 122.9 Ų | 122.9 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | cis | -158.9 | 160.1 | 9 | 40 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 919 | S | 25.4 | Very low | 29.6 | Very low | 104 Ų | 104 | 125.8 Ų | 125.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -83.1 | 150.4 | 173.7 | 53.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 920 | I | 31.6 | Very low | 29.7 | Very low | 172 Ų | 172 | 120.9 Ų | 120.9 | 88% | 0.882 | 78% | 0.779 | S | S | * | * | trans | -134.5 | 147.5 | 149.6 | -65.1 | -173.4 | 0 | 0 | 0 | 109.1 | ||||
| 921 | H | 30.6 | Very low | 29.5 | Very low | 170 Ų | 170 | 121.7 Ų | 121.7 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | trans | -85.3 | 159.1 | -172.8 | -100.4 | -116.8 | 0 | 0 | 0 | 115.1 | ||||
| 922 | P | 35.5 | Very low | 29.6 | Very low | 109 Ų | 109 | 120.3 Ų | 120.3 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | trans | -92.1 | 159.8 | 167.6 | 37.7 | -34.4 | 0 | 0 | 0 | 113.2 | ||||
| 923 | L | 31.5 | Very low | 29.3 | Very low | 173 Ų | 173 | 118.5 Ų | 118.5 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | trans | -155.1 | 164.7 | 166.2 | -112.6 | 128.5 | 0 | 0 | 0 | 111.8 | ||||
| 924 | S | 25.9 | Very low | 29.4 | Very low | 115 Ų | 115 | 120.1 Ų | 120.1 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -139.7 | 133.1 | -168 | -52.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 925 | S | 29.8 | Very low | 29.2 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -179.5 | 123.5 | 157.4 | 51.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 926 | G | 29.9 | Very low | 29.4 | Very low | 71 Ų | 71 | 122.5 Ų | 122.5 | 73% | 0.732 | 77% | 0.765 | S | S | * | * | 90.3 | 145.2 | 77.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 927 | T | 28.4 | Very low | 29.2 | Very low | 128 Ų | 128 | 121.8 Ų | 121.8 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | cis | -163.8 | 161.8 | -4.9 | -54.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 928 | T | 27.9 | Very low | 29.3 | Very low | 113 Ų | 113 | 121.6 Ų | 121.6 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | trans | 67.9 | 120.9 | 156.2 | 26.4 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 929 | T | 28.9 | Very low | 28.9 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | 50.9 | 149.6 | 133.5 | 55.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 930 | S | 26.8 | Very low | 29.2 | Very low | 88 Ų | 88 | 124.7 Ų | 124.7 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | cis | 179.3 | 144.2 | -17.3 | 51.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 931 | T | 26.6 | Very low | 28.9 | Very low | 130 Ų | 130 | 121.5 Ų | 121.5 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | 56.8 | 138.1 | 160 | 54.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 932 | T | 29.9 | Very low | 28.6 | Very low | 135 Ų | 135 | 118.2 Ų | 118.2 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | cis | -159.6 | 179 | 44.7 | -47.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 933 | A | 26.9 | Very low | 28.2 | Very low | 82 Ų | 82 | 120 Ų | 120 | 68% | 0.678 | 76% | 0.76 | S | S | * | * | trans | -65 | 173.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 934 | T | 30.3 | Very low | 28 | Very low | 119 Ų | 119 | 118 Ų | 118 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | cis | -160.5 | 152.9 | 46.1 | 49.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 935 | T | 26.7 | Very low | 27.9 | Very low | 122 Ų | 122 | 122.1 Ų | 122.1 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 25.4 | 142.1 | 143.6 | 65 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 936 | T | 30.9 | Very low | 27.8 | Very low | 118 Ų | 118 | 120.2 Ų | 120.2 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | cis | -157.8 | 153.7 | 47.1 | 45.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 937 | T | 26.7 | Very low | 27.6 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | 3.1 | 138.2 | 149.7 | 59.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 938 | T | 32.6 | Very low | 27.5 | Very low | 123 Ų | 123 | 123 Ų | 123 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | -166.2 | 131.2 | 63.1 | 44 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 939 | D | 24.8 | Very low | 27.5 | Very low | 151 Ų | 151 | 122.8 Ų | 122.8 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | trans | 39.7 | 156.3 | 136.9 | -54.9 | -24.6 | 0 | 0 | 0 | 126.8 | ||||
| 940 | V | 31.4 | Very low | 27.5 | Very low | 130 Ų | 130 | 120.8 Ų | 120.8 | 79% | 0.788 | 75% | 0.75 | S | S | * | * | trans | 89.4 | 91.3 | 159.1 | -164.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 941 | S | 24.9 | Very low | 28.2 | Very low | 105 Ų | 105 | 122 Ų | 122 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | 32 | 131.4 | 144.6 | 71.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 942 | S | 25.2 | Very low | 29.5 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | cis | -170.9 | -167.4 | 45.6 | 52.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 943 | I | 26.5 | Very low | 30.8 | Very low | 146 Ų | 146 | 118.3 Ų | 118.3 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | trans | 79.9 | 91.7 | 174.7 | -46.7 | 161.9 | 0 | 0 | 0 | 115.6 | ||||
| 944 | N | 27.9 | Very low | 32.9 | Very low | 131 Ų | 131 | 115.4 Ų | 115.4 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | 171.7 | 124.3 | 120.5 | -99.1 | -59.4 | 0 | 0 | 0 | 112.8 | S946 | N944-S946 PolarHBondContact OD1-OG 2.88Š| |||
| 945 | E | 23.6 | Very low | 34.8 | Very low | 201 Ų | 201 | 113.9 Ų | 113.9 | 94% | 0.939 | 69% | 0.694 | S | S | * | * | trans | -126.3 | 84.6 | 141.9 | -83.6 | -158 | 131.4 | 0 | 0 | 108.1 | ||||
| 946 | S | 27.5 | Very low | 36.9 | Very low | 82 Ų | 82 | 109.3 Ų | 109.3 | 57% | 0.573 | 66% | 0.663 | S | S | * | * | trans | -102.1 | 118.9 | 165.7 | 40.6 | 0 | 0 | 0 | 0 | 108.4 | N944 S948 | N944-S946 PolarHBondContact OD1-OG 2.88Å; S946-S948 PolarHBondContact O-N 2.77Å | ||
| 947 | V | 25.5 | Very low | 38.9 | Very low | 143 Ų | 143 | 105.5 Ų | 105.5 | 87% | 0.867 | 64% | 0.637 | S | S | * | * | trans | -68.3 | 95.9 | -170.6 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | S949 | V947-S949 PolarHBondContact O-N 2.59Š| ||
| 948 | S | 26.3 | Very low | 41.2 | Very low | 113 Ų | 113 | 106.4 Ų | 106.4 | 79% | 0.79 | 63% | 0.627 | S | S | * | * | trans | -76.9 | 101 | 168.3 | -67.3 | 0 | 0 | 0 | 0 | 109.1 | S946 A950 | S946-S948 PolarHBondContact O-N 2.77Å; S948-A950 PolarHBondContact O-N 3.2Å | ||
| 949 | S | 27.6 | Very low | 43.3 | Very low | 110 Ų | 110 | 100.6 Ų | 100.6 | 77% | 0.769 | 59% | 0.591 | S | S | * | * | trans | -68.4 | 87.5 | -179.9 | 54.4 | 0 | 0 | 0 | 0 | 111.6 | V947 | V947-S949 PolarHBondContact O-N 2.59Š| ||
| 950 | A | 28.5 | Very low | 45.7 | Very low | 84 Ų | 84 | 94.6 Ų | 94.6 | 69% | 0.694 | 56% | 0.56 | S | S | * | * | trans | -57 | 138.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S948 S952 | S948-A950 PolarHBondContact O-N 3.2Å; A950-S952 PolarHBondContact O-N 3.24Å | ||
| 951 | P | 42.6 | Very low | 47.9 | Very low | 115 Ų | 115 | 92 Ų | 92 | 75% | 0.747 | 54% | 0.541 | S | S | * | . | trans | -61.2 | 129 | -175.9 | 24.4 | -33.7 | 0 | 0 | 0 | 110.7 | L953 | P951-L953 VanDerWaalsContact C-N 3.3Å; P951-L953 PolarHBondContact O-N 2.91Å | ||
| 952 | S | 53.3 | Low | 50.4 | Low | 112 Ų | 112 | 89 Ų | 89 | 78% | 0.783 | 52% | 0.518 | S | S | * | . | trans | -75.1 | 77.2 | -173.2 | 44.9 | 0 | 0 | 0 | 0 | 111.9 | A950 S954 | A950-S952 PolarHBondContact O-N 3.24Å; S952-S954 PolarHBondContact O-N 3.13Å | ||
| 953 | L | 58 | Low | 53 | Low | 74 Ų | 74 | 84.3 Ų | 84.3 | 39% | 0.387 | 49% | 0.486 | S | S | . | . | trans | -37.8 | 125.6 | 177.1 | -67.7 | 176.6 | 0 | 0 | 0 | 111.7 | P951 E957 R958 | P951-L953 VanDerWaalsContact C-N 3.3Å; P951-L953 PolarHBondContact O-N 2.91Å; L953-E957 HydrophobicContact CB-CB 4.42Å; L953-E957 HydrophobicContact CD2-CB 4.27Å; L953-R958 HydrophobicContact CB-CG 4.11Å; L953-R958 VanDerWaalsContact O-CZ 3.32Å; L953-R958 PolarHBondContact O-NE 3.17Å; L953-R958 PolarHBondContact O-NH2 2.85Å | ||
| 954 | S | 70.9 | Confident | 55.5 | Low | 22 Ų | 22 | 80.2 Ų | 80.2 | 15% | 0.154 | 47% | 0.474 | C | S | . | . | trans | -61.9 | 161.3 | 178.4 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | S952 R956 E957 R958 | S952-S954 PolarHBondContact O-N 3.13Å; S954-R956 PolarHBondContact O-N 3.18Å; S954-E957 WeakPolarHBondContact CB-OE2 3.4Å; S954-E957 PolarHBondContact N-OE2 2.94Å; S954-E957 PolarHBondContact O-N 3.44Å; S954-E957 VanDerWaalsContact OG-CD 3.31Å; S954-E957 WeakPolarHBondContact OG-CG 3.37Å; S954-E957 PolarHBondContact OG-N 2.91Å; S954-E957 PolarHBondContact OG-OE2 3.2Å; S954-R958 WeakPolarHBondContact O-CG 3.34Å; S954-R958 PolarHBondContact O-N 3.2Å | ||
| 955 | E | 70.1 | Confident | 57.8 | Low | 87 Ų | 87 | 82.2 Ų | 82.2 | 41% | 0.407 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59 | -33.5 | 177.4 | -170.5 | 174.3 | 169.5 | 0 | 0 | 112 | R875 V896 R958 L959 | R875-E955 IonicContact CZ-OE1 2.7Å; R875-E955 VanDerWaalsContact NH1-CD 3.32Å; R875-E955 IonicContact NH1-OE1 2.77Å; R875-E955 PolarHBondContact NH1-OE1 2.88Å; V896-E955 HydrophobicContact CG1-CB 4.43Å; V896-E955 HydrophobicContact CG1-CG 4.48Å; E955-R958 PolarHBondContact O-N 2.83Å; E955-L959 HydrophobicContact CG-CD1 4.33Å; E955-L959 WeakPolarHBondContact O-CD1 3.29Å; E955-L959 WeakPolarHBondContact O-CG 3.36Å; E955-L959 PolarHBondContact O-N 3.13Å |
| 956 | R | 69.7 | Low | 60.3 | Low | 25 Ų | 25 | 73.6 Ų | 73.6 | 9% | 0.094 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 177.3 | -154.4 | -176.8 | -169.9 | -144.9 | 2.3 | 112.7 | S954 L959 V960 D1021 I1022 | S954-R956 PolarHBondContact O-N 3.18Å; R956-L959 WeakPolarHBondContact O-CB 3.42Å; R956-L959 PolarHBondContact O-N 2.97Å; R956-V960 PolarHBondContact O-N 3.3Å; R956-V960 VanDerWaalsContact O-N 3.16Å; R956-D1021 IonicContact CZ-OD2 2.82Å; R956-D1021 VanDerWaalsContact CZ-OD2 3.25Å; R956-D1021 IonicContact NH1-OD2 2.77Å; R956-D1021 PolarHBondContact NH1-OD2 3.02Å; R956-D1021 IonicContact NH2-OD2 2.62Å; R956-D1021 PolarHBondContact NH2-OD2 2.77Å; R956-I1022 HydrophobicContact CG-CD1 3.81Å; R956-I1022 HydrophobicContact CG-CG1 4.15Å |
| 957 | E | 72.2 | Confident | 62.4 | Low | 38 Ų | 38 | 70.5 Ų | 70.5 | 18% | 0.178 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -69.5 | -39.6 | 173.7 | -69.5 | 157.7 | 128.7 | 0 | 0 | 111.5 | L953 S954 L959 V960 N961 I1022 H1026 | L953-E957 HydrophobicContact CB-CB 4.42Å; L953-E957 HydrophobicContact CD2-CB 4.27Å; S954-E957 WeakPolarHBondContact CB-OE2 3.4Å; S954-E957 PolarHBondContact N-OE2 2.94Å; S954-E957 PolarHBondContact O-N 3.44Å; S954-E957 VanDerWaalsContact OG-CD 3.31Å; S954-E957 WeakPolarHBondContact OG-CG 3.37Å; S954-E957 PolarHBondContact OG-N 2.91Å; S954-E957 PolarHBondContact OG-OE2 3.2Å; E957-L959 PolarHBondContact O-N 3Å; E957-V960 PolarHBondContact O-N 2.72Å; E957-N961 VanDerWaalsContact O-CB 3.28Å; E957-N961 WeakPolarHBondContact O-CB 3.39Å; E957-N961 VanDerWaalsContact O-CG 3.29Å; E957-N961 PolarHBondContact O-N 3.41Å; E957-I1022 HydrophobicContact CG-CG2 4.32Å; E957-H1026 IonicContact OE1-CD2 3.05Å; E957-H1026 IonicContact OE1-CE1 3.56Å; E957-H1026 IonicContact OE1-NE2 3.09Å; E957-H1026 PolarHBondContact OE1-NE2 3.41Å |
| 958 | R | 76.8 | Confident | 64.3 | Low | 141 Ų | 141 | 67.7 Ų | 67.7 | 53% | 0.532 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.3 | -33.2 | 172.8 | -66.6 | 177 | -159.6 | -159.4 | 3 | 112 | L953 S954 E955 T962 | L953-R958 HydrophobicContact CB-CG 4.11Å; L953-R958 VanDerWaalsContact O-CZ 3.32Å; L953-R958 PolarHBondContact O-NE 3.17Å; L953-R958 PolarHBondContact O-NH2 2.85Å; S954-R958 WeakPolarHBondContact O-CG 3.34Å; S954-R958 PolarHBondContact O-N 3.2Å; E955-R958 PolarHBondContact O-N 2.83Å; R958-T962 PolarHBondContact O-N 2.83Å; R958-T962 VanDerWaalsContact O-N 3.12Å; R958-T962 PolarHBondContact O-OG1 2.88Å |
| 959 | L | 75.7 | Confident | 65.6 | Low | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -65.2 | -51.3 | 173.3 | -83.9 | 154.8 | 0 | 0 | 0 | 111.9 | R875 L889 A893 E955 R956 E957 T962 L963 | R875-L959 VanDerWaalsContact CZ-CD2 3.4Å; R875-L959 VanDerWaalsContact CZ-CG 3.45Å; L889-L959 HydrophobicContact CD1-CD2 3.42Å; L889-L959 VanDerWaalsContact CD1-CD2 3.42Å; L889-L959 HydrophobicContact CD2-CD2 4.17Å; L889-L959 HydrophobicContact CG-CD2 3.81Å; A893-L959 HydrophobicContact CB-CB 3.85Å; A893-L959 HydrophobicContact CB-CD1 3.67Å; A893-L959 HydrophobicContact CB-CD2 4.1Å; A893-L959 HydrophobicContact CB-CG 4.06Å; E955-L959 HydrophobicContact CG-CD1 4.33Å; E955-L959 WeakPolarHBondContact O-CD1 3.29Å; E955-L959 WeakPolarHBondContact O-CG 3.36Å; E955-L959 PolarHBondContact O-N 3.13Å; R956-L959 WeakPolarHBondContact O-CB 3.42Å; R956-L959 PolarHBondContact O-N 2.97Å; E957-L959 PolarHBondContact O-N 3Å; L959-T962 WeakPolarHBondContact O-CA 3.41Å; L959-T962 VanDerWaalsContact O-CB 3.27Å; L959-T962 WeakPolarHBondContact O-CB 3.31Å; L959-T962 PolarHBondContact O-N 3.3Å; L959-L963 WeakPolarHBondContact O-CG 3.36Å; L959-L963 PolarHBondContact O-N 2.69Å |
| 960 | V | 75.7 | Confident | 66.1 | Low | 26 Ų | 26 | 69.4 Ų | 69.4 | 16% | 0.158 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.6 | -38.2 | 178.8 | 173.4 | 0 | 0 | 0 | 0 | 112.6 | R956 E957 T962 L963 A964 L1018 I1022 | R956-V960 PolarHBondContact O-N 3.3Å; R956-V960 VanDerWaalsContact O-N 3.16Å; E957-V960 PolarHBondContact O-N 2.72Å; V960-T962 PolarHBondContact O-N 3.12Å; V960-T962 VanDerWaalsContact O-N 3.13Å; V960-L963 PolarHBondContact O-N 3.48Å; V960-L963 VanDerWaalsContact O-N 3.17Å; V960-A964 WeakPolarHBondContact O-CB 3.22Å; V960-A964 PolarHBondContact O-N 3Å; V960-L1018 HydrophobicContact CG2-CD2 3.16Å; V960-I1022 HydrophobicContact CB-CD1 4.1Å; V960-I1022 HydrophobicContact CG2-CD1 3.32Å |
| 961 | N | 77.2 | Confident | 66.2 | Low | 74 Ų | 74 | 71 Ų | 71 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.3 | -9.7 | 171.7 | -68.6 | -16.4 | 0 | 0 | 0 | 113.2 | E957 R965 | E957-N961 VanDerWaalsContact O-CB 3.28Å; E957-N961 WeakPolarHBondContact O-CB 3.39Å; E957-N961 VanDerWaalsContact O-CG 3.29Å; E957-N961 PolarHBondContact O-N 3.41Å; N961-R965 PolarHBondContact O-NE 2.76Å; N961-R965 PolarHBondContact O-NH2 3.43Å |
| 962 | T | 77.2 | Confident | 65.5 | Low | 42 Ų | 42 | 72.5 Ų | 72.5 | 26% | 0.258 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -88.3 | -56.3 | 164.4 | -54 | 0 | 0 | 0 | 0 | 109.8 | L880 R958 L959 V960 A964 R965 H966 | L880-T962 HydrophobicContact CD1-CG2 4.08Å; R958-T962 PolarHBondContact O-N 2.83Å; R958-T962 VanDerWaalsContact O-N 3.12Å; R958-T962 PolarHBondContact O-OG1 2.88Å; L959-T962 WeakPolarHBondContact O-CA 3.41Å; L959-T962 VanDerWaalsContact O-CB 3.27Å; L959-T962 WeakPolarHBondContact O-CB 3.31Å; L959-T962 PolarHBondContact O-N 3.3Å; V960-T962 PolarHBondContact O-N 3.12Å; V960-T962 VanDerWaalsContact O-N 3.13Å; T962-A964 VanDerWaalsContact C-N 3.29Å; T962-A964 PolarHBondContact O-N 3.04Å; T962-R965 WeakPolarHBondContact O-CB 3.2Å; T962-R965 PolarHBondContact O-N 3.17Å; T962-H966 PolarHBondContact O-CD2 2.93Å |
| 963 | L | 80.4 | Confident | 64.3 | Low | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.021 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -54 | -41.2 | -177 | -67.1 | 165.8 | 0 | 0 | 0 | 112.7 | L886 L889 A890 L959 V960 R965 H966 C967 L1015 | L886-L963 HydrophobicContact CD1-CD2 3.53Å; L886-L963 HydrophobicContact CG-CD2 4.09Å; L889-L963 HydrophobicContact CB-CD2 4.16Å; L889-L963 HydrophobicContact CD2-CD2 3.78Å; L889-L963 HydrophobicContact CD2-CG 4.32Å; L889-L963 HydrophobicContact CG-CD2 4.03Å; A890-L963 HydrophobicContact CB-CD1 4.29Å; L959-L963 WeakPolarHBondContact O-CG 3.36Å; L959-L963 PolarHBondContact O-N 2.69Å; V960-L963 PolarHBondContact O-N 3.48Å; V960-L963 VanDerWaalsContact O-N 3.17Å; L963-R965 PolarHBondContact O-N 2.74Å; L963-H966 CarbonylContact O-C 3.46Å; L963-H966 WeakPolarHBondContact O-CA 3.39Å; L963-H966 WeakPolarHBondContact O-CB 3.25Å; L963-H966 PolarHBondContact O-N 3.24Å; L963-C967 PolarHBondContact O-SG 3.46Å; L963-C967 VanDerWaalsContact O-SG 3.38Å; L963-L1015 HydrophobicContact CB-CD2 4.01Å; L963-L1015 HydrophobicContact CD1-CD2 3.79Å; L963-L1015 HydrophobicContact CD2-CD2 4.06Å; L963-L1015 HydrophobicContact CG-CD2 4.16Å |
| 964 | A | 77.8 | Confident | 62.8 | Low | 61 Ų | 61 | 71.9 Ų | 71.9 | 50% | 0.504 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -60.5 | -28.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V960 T962 H966 C967 | V960-A964 WeakPolarHBondContact O-CB 3.22Å; V960-A964 PolarHBondContact O-N 3Å; T962-A964 VanDerWaalsContact C-N 3.29Å; T962-A964 PolarHBondContact O-N 3.04Å; A964-H966 VanDerWaalsContact C-N 3.27Å; A964-H966 PolarHBondContact O-N 3.29Å; A964-C967 PolarHBondContact O-N 3.46Å |
| 965 | R | 78.1 | Confident | 60.6 | Low | 173 Ų | 173 | 77.6 Ų | 77.6 | 65% | 0.653 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -73.5 | -22.2 | 175.5 | -52.5 | 179.8 | -157.9 | -165.9 | 1.5 | 112.4 | N961 T962 L963 C967 S1003 | N961-R965 PolarHBondContact O-NE 2.76Å; N961-R965 PolarHBondContact O-NH2 3.43Å; T962-R965 WeakPolarHBondContact O-CB 3.2Å; T962-R965 PolarHBondContact O-N 3.17Å; L963-R965 PolarHBondContact O-N 2.74Å; R965-C967 VanDerWaalsContact C-N 3.34Å; R965-S1003 PolarHBondContact O-OG 3.42Å |
| 966 | H | 75.8 | Confident | 58.4 | Low | 19 Ų | 19 | 78 Ų | 78 | 9% | 0.088 | 46% | 0.456 | C | S | . | . | G | 310 helix | trans | -92.4 | 10.7 | 176.9 | -70.1 | -86.4 | 0 | 0 | 0 | 112.6 | L880 L886 T962 L963 A964 S1003 Y1004 K1005 S1006 | L880-H966 WeakPolarHBondContact CD1-NE2 3.45Å; L886-H966 HydrophobicContact CD1-CB 3.57Å; L886-H966 HydrophobicContact CD2-CB 3.98Å; L886-H966 HydrophobicContact CG-CB 4.47Å; T962-H966 PolarHBondContact O-CD2 2.93Å; L963-H966 CarbonylContact O-C 3.46Å; L963-H966 WeakPolarHBondContact O-CA 3.39Å; L963-H966 WeakPolarHBondContact O-CB 3.25Å; L963-H966 PolarHBondContact O-N 3.24Å; A964-H966 VanDerWaalsContact C-N 3.27Å; A964-H966 PolarHBondContact O-N 3.29Å; H966-S1003 PolarHBondContact CE1-OG 3.37Å; H966-S1003 VanDerWaalsContact CE1-OG 3.24Å; H966-S1003 PolarHBondContact ND1-OG 3.01Å; H966-Y1004 WeakPolarHBondContact CA-O 3.4Å; H966-Y1004 WeakPolarHBondContact CB-O 3.36Å; H966-Y1004 PolarHBondContact ND1-O 3.07Å; H966-K1005 CarbonylContact O-C 3.53Å; H966-K1005 WeakPolarHBondContact O-CA 3.35Å; H966-S1006 PolarHBondContact O-N 2.81Å |
| 967 | C | 70.8 | Confident | 56.3 | Low | 18 Ų | 18 | 83.2 Ų | 83.2 | 12% | 0.122 | 49% | 0.49 | C | S | . | . | B | Isolated β-bridge | trans | -105.7 | 151.1 | 173.7 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | L963 A964 R965 L1012 L1015 | L963-C967 PolarHBondContact O-SG 3.46Å; L963-C967 VanDerWaalsContact O-SG 3.38Å; A964-C967 PolarHBondContact O-N 3.46Å; R965-C967 VanDerWaalsContact C-N 3.34Å; C967-L1012 HydrophobicContact CB-CD2 3.85Å; C967-L1015 WeakPolarHBondContact SG-CD1 3.33Å |
| 968 | N | 64.5 | Low | 54 | Low | 84 Ų | 84 | 89 Ų | 89 | 45% | 0.449 | 52% | 0.522 | S | S | . | . | trans | -124.5 | 99.9 | 164.8 | -140.6 | 48.2 | 0 | 0 | 0 | 109.2 | T970 K1005 S1006 | N968-T970 PolarHBondContact O-N 2.84Å; N968-K1005 HydrophobicContact CB-CB 4.39Å; N968-K1005 HydrophobicContact CB-CD 4.15Å; N968-K1005 WeakPolarHBondContact OD1-CD 3.42Å; N968-K1005 PolarHBondContact OD1-NZ 3.11Å; N968-S1006 PolarHBondContact N-O 3.48Å; N968-S1006 VanDerWaalsContact N-O 3.15Å | ||
| 969 | I | 54.5 | Low | 51.8 | Low | 134 Ų | 134 | 87.2 Ų | 87.2 | 69% | 0.687 | 53% | 0.528 | S | S | * | . | trans | -87.7 | 108 | -178.8 | -56.9 | 174.1 | 0 | 0 | 0 | 108.5 | S971 | I969-S971 PolarHBondContact O-N 2.83Š| ||
| 970 | T | 37.8 | Very low | 49.3 | Very low | 124 Ų | 124 | 92.7 Ų | 92.7 | 76% | 0.761 | 56% | 0.562 | S | S | * | * | trans | -73.3 | 113.9 | 168.9 | 18.5 | 0 | 0 | 0 | 0 | 109.7 | N968 V972 | N968-T970 PolarHBondContact O-N 2.84Å; T970-V972 PolarHBondContact O-N 3.35Å | ||
| 971 | S | 30.7 | Very low | 46.8 | Very low | 117 Ų | 117 | 97.7 Ų | 97.7 | 82% | 0.818 | 59% | 0.593 | S | S | * | * | trans | -65.9 | 120.3 | 175.1 | -173.2 | 0 | 0 | 0 | 0 | 110.3 | I969 G973 | I969-S971 PolarHBondContact O-N 2.83Å; S971-G973 PolarHBondContact O-N 3.08Å | ||
| 972 | V | 28 | Very low | 44.3 | Very low | 148 Ų | 148 | 100.9 Ų | 100.9 | 90% | 0.897 | 61% | 0.61 | S | S | * | * | trans | -80.5 | 113.7 | 177.6 | 179 | 0 | 0 | 0 | 0 | 109.3 | T970 | T970-V972 PolarHBondContact O-N 3.35Š| ||
| 973 | G | 28.4 | Very low | 41.7 | Very low | 63 Ų | 63 | 106.6 Ų | 106.6 | 65% | 0.649 | 64% | 0.638 | S | S | * | * | trans | -148.5 | 101.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S971 | S971-G973 PolarHBondContact O-N 3.08Š| ||
| 974 | S | 25.6 | Very low | 39.1 | Very low | 109 Ų | 109 | 113.1 Ų | 113.1 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | trans | 56 | 116.1 | 154.5 | -54.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 975 | T | 25.5 | Very low | 36.6 | Very low | 142 Ų | 142 | 118.3 Ų | 118.3 | 87% | 0.871 | 69% | 0.691 | S | S | * | * | trans | 63.7 | 138.5 | 146.9 | 51.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 976 | S | 23.8 | Very low | 34 | Very low | 97 Ų | 97 | 116 Ų | 116 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | cis | -154.5 | 171.3 | 5.2 | 59.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 977 | T | 25.1 | Very low | 31.7 | Very low | 133 Ų | 133 | 122.1 Ų | 122.1 | 82% | 0.816 | 72% | 0.718 | S | S | * | * | trans | 62.7 | 116.3 | 154.7 | 44.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 978 | L | 24.5 | Very low | 29.4 | Very low | 160 Ų | 160 | 130.5 Ų | 130.5 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -75 | 173 | 154 | -115.4 | 78.8 | 0 | 0 | 0 | 110.5 | ||||
| 979 | P | 29.7 | Very low | 27.4 | Very low | 103 Ų | 103 | 130.1 Ų | 130.1 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | cis | -148.6 | 163.8 | 37.7 | 42.4 | -21.8 | 0 | 0 | 0 | 120.6 | ||||
| 980 | T | 23.4 | Very low | 26.1 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | 63.6 | 147 | 147.5 | 46.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 981 | T | 24.1 | Very low | 25.4 | Very low | 130 Ų | 130 | 129.1 Ų | 129.1 | 80% | 0.798 | 76% | 0.764 | S | S | * | * | trans | 59.5 | 125.7 | 170.7 | 39 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 982 | D | 23.6 | Very low | 25.3 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | cis | -139.7 | 162.6 | 37.8 | -101.9 | -34.4 | 0 | 0 | 0 | 116 | ||||
| 983 | L | 24.3 | Very low | 25.3 | Very low | 162 Ų | 162 | 134 Ų | 134 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -112.5 | 97 | 168.2 | -83 | 167.7 | 0 | 0 | 0 | 110.1 | ||||
| 984 | N | 26.1 | Very low | 25.1 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | -142.3 | 87.9 | 169.7 | -92.6 | -50.5 | 0 | 0 | 0 | 111.8 | L986 | N984-L986 PolarHBondContact O-N 3.34Š| ||
| 985 | L | 24.6 | Very low | 25 | Very low | 170 Ų | 170 | 134.3 Ų | 134.3 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | trans | -79 | 87.4 | 169.4 | -76.9 | 169.7 | 0 | 0 | 0 | 110.5 | ||||
| 986 | L | 23.8 | Very low | 25 | Very low | 124 Ų | 124 | 134 Ų | 134 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -154.3 | 123.8 | 166.5 | -105.7 | 168.5 | 0 | 0 | 0 | 110.9 | N984 E988 | N984-L986 PolarHBondContact O-N 3.34Å; L986-E988 PolarHBondContact O-N 2.99Å |
| 987 | F | 26.1 | Very low | 25.1 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 65% | 0.654 | 77% | 0.766 | S | S | * | * | trans | 55.4 | 42.3 | 166.4 | -93.7 | -87.7 | 0 | 0 | 0 | 117.9 | S989 | F987-S989 PolarHBondContact O-N 3.3Š| ||
| 988 | E | 23.2 | Very low | 25.1 | Very low | 193 Ų | 193 | 133.1 Ų | 133.1 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | trans | -66.8 | 100.3 | 159.9 | -170.5 | 166.3 | -138.1 | 0 | 0 | 109.7 | L986 S990 | L986-E988 PolarHBondContact O-N 2.99Å; E988-S990 PolarHBondContact O-N 3.15Å | ||
| 989 | S | 22.8 | Very low | 25.1 | Very low | 76 Ų | 76 | 128 Ų | 128 | 53% | 0.531 | 75% | 0.747 | S | S | . | * | trans | -72.7 | 117.1 | 173.3 | -64.7 | 0 | 0 | 0 | 0 | 108.3 | F987 T991 | F987-S989 PolarHBondContact O-N 3.3Å; S989-T991 PolarHBondContact O-N 3.19Å; S989-T991 PolarHBondContact O-OG1 2.78Å | ||
| 990 | S | 27.6 | Very low | 25 | Very low | 116 Ų | 116 | 128.9 Ų | 128.9 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | trans | -74 | 55 | 173.8 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | E988 Q992 | E988-S990 PolarHBondContact O-N 3.15Å; S990-Q992 PolarHBondContact O-N 2.91Å | ||
| 991 | T | 23.4 | Very low | 25.4 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | trans | -90.8 | 40.4 | 176 | 41.5 | 0 | 0 | 0 | 0 | 111.5 | S989 | S989-T991 PolarHBondContact O-N 3.19Å; S989-T991 PolarHBondContact O-OG1 2.78Å | ||
| 992 | Q | 27.2 | Very low | 25.9 | Very low | 180 Ų | 180 | 127.3 Ų | 127.3 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | trans | -146.4 | 130.5 | 162 | -74.2 | 179.6 | 24.1 | 0 | 0 | 106.6 | S990 | S990-Q992 PolarHBondContact O-N 2.91Š| ||
| 993 | Q | 28.3 | Very low | 27.5 | Very low | 187 Ų | 187 | 123.2 Ų | 123.2 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | cis | -109.5 | 113.3 | 2.6 | -66.7 | 168 | -28.4 | 0 | 0 | 111 | G995 | Q993-G995 PolarHBondContact O-N 3.18Š| ||
| 994 | S | 24.3 | Very low | 29.5 | Very low | 133 Ų | 133 | 119 Ų | 119 | 93% | 0.93 | 72% | 0.718 | S | S | * | * | trans | -84.7 | 66.3 | 154.8 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 995 | G | 24.1 | Very low | 32 | Very low | 47 Ų | 47 | 117.7 Ų | 117.7 | 49% | 0.485 | 71% | 0.706 | S | S | . | * | trans | -128.3 | 106.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q993 | Q993-G995 PolarHBondContact O-N 3.18Š| ||
| 996 | T | 24.3 | Very low | 34.7 | Very low | 136 Ų | 136 | 109.7 Ų | 109.7 | 83% | 0.834 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 62.8 | 139.2 | 166.6 | 50.9 | 0 | 0 | 0 | 0 | 119.7 | ||
| 997 | T | 26.8 | Very low | 37.5 | Very low | 124 Ų | 124 | 108.5 Ų | 108.5 | 76% | 0.761 | 67% | 0.666 | S | S | * | * | trans | 57.8 | 83.2 | 162.7 | 52.3 | 0 | 0 | 0 | 0 | 118.1 | G999 | T997-G999 PolarHBondContact O-N 2.93Š| ||
| 998 | A | 25.7 | Very low | 40.2 | Very low | 86 Ų | 86 | 102.9 Ų | 102.9 | 71% | 0.711 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -73 | 75.6 | 149.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | N262 | N262-A998 PolarHBondContact ND2-O 3.39Š|
| 999 | G | 24.1 | Very low | 43.1 | Very low | 52 Ų | 52 | 98.3 Ų | 98.3 | 54% | 0.536 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -176.4 | 135.1 | 180 | 0 | 0 | 0 | 0 | 0 | 110.8 | T997 | T997-G999 PolarHBondContact O-N 2.93Š|
| 1000 | S | 26.3 | Very low | 45.9 | Very low | 123 Ų | 123 | 99.2 Ų | 99.2 | 86% | 0.86 | 62% | 0.622 | S | S | * | * | S | Bend | trans | 64.6 | 176 | -166.4 | -159 | 0 | 0 | 0 | 0 | 114.8 | G1002 | S1000-G1002 PolarHBondContact O-N 2.94Š|
| 1001 | T | 32.2 | Very low | 48.6 | Very low | 132 Ų | 132 | 93.7 Ų | 93.7 | 81% | 0.81 | 58% | 0.583 | S | S | * | * | trans | -79.4 | 83.6 | -165.9 | 53.3 | 0 | 0 | 0 | 0 | 113.3 | S1003 | T1001-S1003 PolarHBondContact O-N 2.85Š| ||
| 1002 | G | 35.1 | Very low | 51.5 | Low | 81 Ų | 81 | 89.7 Ų | 89.7 | 84% | 0.835 | 56% | 0.557 | S | S | * | * | trans | -62.7 | 97.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1000 Y1004 | S1000-G1002 PolarHBondContact O-N 2.94Å; G1002-Y1004 PolarHBondContact O-N 3.5Å | ||
| 1003 | S | 56.4 | Low | 54.3 | Low | 55 Ų | 55 | 83 Ų | 83 | 39% | 0.385 | 53% | 0.532 | S | S | . | . | trans | -75.8 | 109.5 | -178.7 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | R965 H966 T1001 K1005 | R965-S1003 PolarHBondContact O-OG 3.42Å; H966-S1003 PolarHBondContact CE1-OG 3.37Å; H966-S1003 VanDerWaalsContact CE1-OG 3.24Å; H966-S1003 PolarHBondContact ND1-OG 3.01Å; T1001-S1003 PolarHBondContact O-N 2.85Å; S1003-K1005 PolarHBondContact O-N 3.18Å | ||
| 1004 | Y | 67.6 | Low | 56.8 | Low | 73 Ų | 73 | 74 Ų | 74 | 29% | 0.286 | 49% | 0.49 | S | S | . | . | trans | -53.2 | 127.7 | 173 | 167.6 | -103.3 | 0 | 0 | 0 | 111 | I881 N882 D883 H966 G1002 | I881-Y1004 VanDerWaalsContact O-CD2 3.25Å; I881-Y1004 WeakPolarHBondContact O-CD2 3.43Å; I881-Y1004 WeakPolarHBondContact O-CE2 3.35Å; N882-Y1004 VanDerWaalsContact C-CE1 3.45Å; D883-Y1004 PolarHBondContact N-OH 3.39Å; D883-Y1004 PolarHBondContact OD1-OH 2.8Å; H966-Y1004 WeakPolarHBondContact CA-O 3.4Å; H966-Y1004 WeakPolarHBondContact CB-O 3.36Å; H966-Y1004 PolarHBondContact ND1-O 3.07Å; G1002-Y1004 PolarHBondContact O-N 3.5Å | ||
| 1005 | K | 78.4 | Confident | 59.6 | Low | 114 Ų | 114 | 68.4 Ų | 68.4 | 50% | 0.496 | 45% | 0.45 | S | S | . | . | trans | -110.8 | 128.4 | 177.4 | -76 | -175.8 | 164.3 | -169.1 | 0 | 111.5 | H966 N968 S1003 | H966-K1005 CarbonylContact O-C 3.53Å; H966-K1005 WeakPolarHBondContact O-CA 3.35Å; N968-K1005 HydrophobicContact CB-CB 4.39Å; N968-K1005 HydrophobicContact CB-CD 4.15Å; N968-K1005 WeakPolarHBondContact OD1-CD 3.42Å; N968-K1005 PolarHBondContact OD1-NZ 3.11Å; S1003-K1005 PolarHBondContact O-N 3.18Å | ||
| 1006 | S | 82 | Confident | 62.4 | Low | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.014 | 45% | 0.445 | C | S | . | . | B | Isolated β-bridge | trans | -86 | 137.2 | 169.3 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | D883 H966 N968 N1008 | D883-S1006 WeakPolarHBondContact OD1-CB 3.28Å; D883-S1006 PolarHBondContact OD1-OG 2.91Å; H966-S1006 PolarHBondContact O-N 2.81Å; N968-S1006 PolarHBondContact N-O 3.48Å; N968-S1006 VanDerWaalsContact N-O 3.15Å; S1006-N1008 WeakPolarHBondContact OG-CB 3.4Å; S1006-N1008 PolarHBondContact OG-N 3.41Å |
| 1007 | S | 80.7 | Confident | 65.2 | Low | 99 Ų | 99 | 65.6 Ų | 65.6 | 69% | 0.692 | 42% | 0.42 | S | S | * | . | trans | -110.7 | 4.8 | 165.7 | 53.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 1008 | N | 84.6 | Confident | 67.7 | Low | 30 Ų | 30 | 59.8 Ų | 59.8 | 16% | 0.16 | 39% | 0.385 | C | S | . | . | trans | -74.5 | 119 | -172.5 | -176.7 | -23.8 | 0 | 0 | 0 | 110.5 | D883 S1006 R1010 V1011 L1012 | D883-N1008 VanDerWaalsContact OD2-CB 3.31Å; D883-N1008 WeakPolarHBondContact OD2-CB 3.32Å; D883-N1008 PolarHBondContact OD2-ND2 2.98Å; S1006-N1008 WeakPolarHBondContact OG-CB 3.4Å; S1006-N1008 PolarHBondContact OG-N 3.41Å; N1008-R1010 PolarHBondContact O-N 2.78Å; N1008-R1010 PolarHBondContact OD1-N 2.83Å; N1008-V1011 HydrophobicContact CB-CB 4.11Å; N1008-V1011 HydrophobicContact CB-CG2 3.79Å; N1008-V1011 WeakPolarHBondContact O-CB 3.38Å; N1008-V1011 PolarHBondContact O-N 3.25Å; N1008-L1012 PolarHBondContact O-N 3.22Å | ||
| 1009 | P | 84.1 | Confident | 70.3 | Confident | 98 Ų | 98 | 61.7 Ų | 61.7 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63 | -28.8 | -172.8 | 24.7 | -34.5 | 0 | 0 | 0 | 113.1 | V1011 A1013 | P1009-V1011 VanDerWaalsContact C-N 3.32Å; P1009-A1013 VanDerWaalsContact O-CB 3.26Å; P1009-A1013 WeakPolarHBondContact O-CB 3.43Å; P1009-A1013 PolarHBondContact O-N 3.3Å |
| 1010 | R | 80.7 | Confident | 73 | Confident | 95 Ų | 95 | 64.7 Ų | 64.7 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.3 | -34.9 | 176 | -48.8 | -173.7 | -150.9 | 168 | 7.8 | 111.5 | S179 D183 N1008 A1014 | S179-R1010 PolarHBondContact OG-NH1 3.34Å; S179-R1010 PolarHBondContact OG-NH2 3.33Å; S179-R1010 VanDerWaalsContact OG-NH2 3.13Å; D183-R1010 VanDerWaalsContact OD1-CD 3.26Å; D183-R1010 WeakPolarHBondContact OD1-CD 3.33Å; D183-R1010 IonicContact OD1-CZ 3.76Å; D183-R1010 IonicContact OD1-NE 3.84Å; D183-R1010 IonicContact OD1-NH1 2.78Å; D183-R1010 PolarHBondContact OD1-NH1 3.35Å; D183-R1010 IonicContact OD2-NH1 3.25Å; D183-R1010 PolarHBondContact OD2-NH1 2.92Å; N1008-R1010 PolarHBondContact O-N 2.78Å; N1008-R1010 PolarHBondContact OD1-N 2.83Å; R1010-A1014 WeakPolarHBondContact O-CB 3.45Å; R1010-A1014 PolarHBondContact O-N 2.87Å |
| 1011 | V | 84 | Confident | 75.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -76.4 | -44.9 | 179.6 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | D883 L886 L887 N1008 P1009 A1013 A1014 L1015 | D883-V1011 HydrophobicContact CB-CG2 3.98Å; L886-V1011 HydrophobicContact CD2-CG1 3.94Å; L886-V1011 HydrophobicContact CG-CG1 4.49Å; L887-V1011 HydrophobicContact CD1-CG2 4.11Å; L887-V1011 HydrophobicContact CD2-CB 4.35Å; L887-V1011 HydrophobicContact CD2-CG1 4.1Å; L887-V1011 HydrophobicContact CD2-CG2 4.2Å; L887-V1011 HydrophobicContact CG-CG1 4.33Å; L887-V1011 HydrophobicContact CG-CG2 4.04Å; N1008-V1011 HydrophobicContact CB-CB 4.11Å; N1008-V1011 HydrophobicContact CB-CG2 3.79Å; N1008-V1011 WeakPolarHBondContact O-CB 3.38Å; N1008-V1011 PolarHBondContact O-N 3.25Å; P1009-V1011 VanDerWaalsContact C-N 3.32Å; V1011-A1013 PolarHBondContact O-N 3.19Å; V1011-A1014 PolarHBondContact O-N 3.48Å; V1011-L1015 HydrophobicContact CG1-CD1 4.05Å; V1011-L1015 VanDerWaalsContact O-CG 3.27Å; V1011-L1015 WeakPolarHBondContact O-CG 3.45Å; V1011-L1015 PolarHBondContact O-N 2.77Å |
| 1012 | L | 85.4 | Confident | 77.3 | Confident | 37 Ų | 37 | 56.3 Ų | 56.3 | 19% | 0.194 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 174 | -63.5 | 174.2 | 0 | 0 | 0 | 111.4 | C967 N1008 A1014 L1015 D1016 | C967-L1012 HydrophobicContact CB-CD2 3.85Å; N1008-L1012 PolarHBondContact O-N 3.22Å; L1012-A1014 PolarHBondContact O-N 2.7Å; L1012-L1015 PolarHBondContact O-N 3.45Å; L1012-D1016 PolarHBondContact O-N 2.86Å |
| 1013 | A | 84.7 | Confident | 79.2 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 31% | 0.314 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1009 V1011 L1015 D1016 V1017 | P1009-A1013 VanDerWaalsContact O-CB 3.26Å; P1009-A1013 WeakPolarHBondContact O-CB 3.43Å; P1009-A1013 PolarHBondContact O-N 3.3Å; V1011-A1013 PolarHBondContact O-N 3.19Å; A1013-L1015 VanDerWaalsContact C-N 3.33Å; A1013-L1015 PolarHBondContact O-N 2.91Å; A1013-D1016 PolarHBondContact O-N 3.3Å; A1013-V1017 WeakPolarHBondContact O-CG2 3.37Å; A1013-V1017 PolarHBondContact O-N 3.2Å; A1013-V1017 VanDerWaalsContact O-N 3.08Å |
| 1014 | A | 81.7 | Confident | 80 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -37.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I189 M190 L887 R1010 V1011 L1012 L1018 | I189-A1014 HydrophobicContact CB-CB 4.28Å; I189-A1014 HydrophobicContact CD1-CB 4.07Å; I189-A1014 HydrophobicContact CG2-CB 4Å; I189-A1014 WeakPolarHBondContact CG2-O 3.43Å; M190-A1014 HydrophobicContact CG-CB 4.4Å; L887-A1014 HydrophobicContact CD2-CB 3.83Å; R1010-A1014 WeakPolarHBondContact O-CB 3.45Å; R1010-A1014 PolarHBondContact O-N 2.87Å; V1011-A1014 PolarHBondContact O-N 3.48Å; L1012-A1014 PolarHBondContact O-N 2.7Å; A1014-L1018 PolarHBondContact O-N 3.3Å |
| 1015 | L | 82.7 | Confident | 79.7 | Confident | 15 Ų | 15 | 59 Ų | 59 | 8% | 0.079 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.8 | -34.9 | 176.5 | -67.4 | 174.1 | 0 | 0 | 0 | 112.6 | L886 A890 L963 C967 V1011 L1012 A1013 L1018 R1019 | L886-L1015 HydrophobicContact CD2-CD1 4.17Å; L886-L1015 HydrophobicContact CG-CD1 4.46Å; A890-L1015 HydrophobicContact CB-CD2 3.7Å; L963-L1015 HydrophobicContact CB-CD2 4.01Å; L963-L1015 HydrophobicContact CD1-CD2 3.79Å; L963-L1015 HydrophobicContact CD2-CD2 4.06Å; L963-L1015 HydrophobicContact CG-CD2 4.16Å; C967-L1015 WeakPolarHBondContact SG-CD1 3.33Å; V1011-L1015 HydrophobicContact CG1-CD1 4.05Å; V1011-L1015 VanDerWaalsContact O-CG 3.27Å; V1011-L1015 WeakPolarHBondContact O-CG 3.45Å; V1011-L1015 PolarHBondContact O-N 2.77Å; L1012-L1015 PolarHBondContact O-N 3.45Å; A1013-L1015 VanDerWaalsContact C-N 3.33Å; A1013-L1015 PolarHBondContact O-N 2.91Å; L1015-L1018 PolarHBondContact O-N 3.16Å; L1015-R1019 WeakPolarHBondContact O-CB 3.46Å; L1015-R1019 PolarHBondContact O-N 3.02Å |
| 1016 | D | 84.1 | Confident | 78.5 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 38% | 0.38 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.9 | -37.7 | 172.6 | -90.6 | -15.4 | 0 | 0 | 0 | 112.8 | L1012 A1013 K1020 | L1012-D1016 PolarHBondContact O-N 2.86Å; A1013-D1016 PolarHBondContact O-N 3.3Å; D1016-K1020 WeakPolarHBondContact O-CB 3.44Å; D1016-K1020 WeakPolarHBondContact O-CD 3.49Å; D1016-K1020 VanDerWaalsContact O-CG 3.25Å; D1016-K1020 WeakPolarHBondContact O-CG 3.37Å; D1016-K1020 PolarHBondContact O-N 3.34Å |
| 1017 | V | 82.4 | Confident | 76.9 | Confident | 53 Ų | 53 | 64 Ų | 64 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 172.4 | 169.4 | 0 | 0 | 0 | 0 | 110.2 | M190 A1013 R1019 K1020 D1021 | M190-V1017 HydrophobicContact CG-CG2 4.28Å; A1013-V1017 WeakPolarHBondContact O-CG2 3.37Å; A1013-V1017 PolarHBondContact O-N 3.2Å; A1013-V1017 VanDerWaalsContact O-N 3.08Å; V1017-R1019 PolarHBondContact O-N 2.76Å; V1017-K1020 PolarHBondContact O-N 2.94Å; V1017-D1021 PolarHBondContact O-N 3.08Å |
| 1018 | L | 78.5 | Confident | 75.2 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.01 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -40.7 | -179.8 | -168.5 | 159.4 | 0 | 0 | 0 | 112 | A890 A893 L894 V960 A1014 L1015 D1021 I1022 | A890-L1018 HydrophobicContact CB-CD1 3.8Å; A890-L1018 WeakPolarHBondContact O-CD1 3.46Å; A893-L1018 HydrophobicContact CB-CD1 4.26Å; L894-L1018 HydrophobicContact CD2-CD1 4.01Å; L894-L1018 HydrophobicContact CD2-CG 3.75Å; L894-L1018 HydrophobicContact CG-CD1 4.05Å; L894-L1018 HydrophobicContact CG-CG 4.35Å; V960-L1018 HydrophobicContact CG2-CD2 3.16Å; A1014-L1018 PolarHBondContact O-N 3.3Å; L1015-L1018 PolarHBondContact O-N 3.16Å; L1018-D1021 PolarHBondContact O-N 2.91Å; L1018-I1022 HydrophobicContact CD2-CD1 4.08Å; L1018-I1022 PolarHBondContact O-N 2.84Å |
| 1019 | R | 81 | Confident | 73 | Confident | 126 Ų | 126 | 68.5 Ų | 68.5 | 48% | 0.475 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.2 | -51.1 | 172.5 | 177.9 | -176.3 | 166 | 177.3 | -2.1 | 111.5 | L1015 V1017 D1021 I1022 E1023 | L1015-R1019 WeakPolarHBondContact O-CB 3.46Å; L1015-R1019 PolarHBondContact O-N 3.02Å; V1017-R1019 PolarHBondContact O-N 2.76Å; R1019-D1021 PolarHBondContact O-N 2.96Å; R1019-I1022 PolarHBondContact O-N 3.29Å; R1019-I1022 VanDerWaalsContact O-N 3.1Å; R1019-E1023 IonicContact CZ-OE1 3.79Å; R1019-E1023 VanDerWaalsContact CZ-OE1 3.23Å; R1019-E1023 IonicContact NE-OE1 3.67Å; R1019-E1023 PolarHBondContact NE-OE1 2.96Å; R1019-E1023 IonicContact NE-OE2 3.79Å; R1019-E1023 IonicContact NH2-OE1 2.69Å; R1019-E1023 PolarHBondContact NH2-OE1 2.8Å; R1019-E1023 PolarHBondContact O-N 3.22Å |
| 1020 | K | 81.4 | Confident | 70.4 | Confident | 114 Ų | 114 | 67.6 Ų | 67.6 | 50% | 0.496 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.6 | -30.9 | 179.8 | -73.6 | 165.3 | -175.5 | 165.9 | 0 | 112.6 | D1016 V1017 K1024 | D1016-K1020 WeakPolarHBondContact O-CB 3.44Å; D1016-K1020 WeakPolarHBondContact O-CD 3.49Å; D1016-K1020 VanDerWaalsContact O-CG 3.25Å; D1016-K1020 WeakPolarHBondContact O-CG 3.37Å; D1016-K1020 PolarHBondContact O-N 3.34Å; V1017-K1020 PolarHBondContact O-N 2.94Å; K1020-K1024 VanDerWaalsContact O-CG 3.25Å; K1020-K1024 WeakPolarHBondContact O-CG 3.41Å; K1020-K1024 PolarHBondContact O-N 3.03Å |
| 1021 | D | 75.1 | Confident | 67.9 | Low | 62 Ų | 62 | 67.9 Ų | 67.9 | 33% | 0.332 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -69.5 | -36.3 | 175.3 | -168.2 | 74.5 | 0 | 0 | 0 | 112.8 | R956 V1017 L1018 R1019 S1025 | R956-D1021 IonicContact CZ-OD2 2.82Å; R956-D1021 VanDerWaalsContact CZ-OD2 3.25Å; R956-D1021 IonicContact NH1-OD2 2.77Å; R956-D1021 PolarHBondContact NH1-OD2 3.02Å; R956-D1021 IonicContact NH2-OD2 2.62Å; R956-D1021 PolarHBondContact NH2-OD2 2.77Å; V1017-D1021 PolarHBondContact O-N 3.08Å; L1018-D1021 PolarHBondContact O-N 2.91Å; R1019-D1021 PolarHBondContact O-N 2.96Å; D1021-S1025 PolarHBondContact O-N 3.01Å; D1021-S1025 VanDerWaalsContact O-N 3.11Å |
| 1022 | I | 72.7 | Confident | 65.5 | Low | 17 Ų | 17 | 74 Ų | 74 | 9% | 0.087 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -69.7 | -44.7 | 173.3 | -67.8 | 173.4 | 0 | 0 | 0 | 111.2 | R956 E957 V960 L1018 R1019 K1024 S1025 H1026 | R956-I1022 HydrophobicContact CG-CD1 3.81Å; R956-I1022 HydrophobicContact CG-CG1 4.15Å; E957-I1022 HydrophobicContact CG-CG2 4.32Å; V960-I1022 HydrophobicContact CB-CD1 4.1Å; V960-I1022 HydrophobicContact CG2-CD1 3.32Å; L1018-I1022 HydrophobicContact CD2-CD1 4.08Å; L1018-I1022 PolarHBondContact O-N 2.84Å; R1019-I1022 PolarHBondContact O-N 3.29Å; R1019-I1022 VanDerWaalsContact O-N 3.1Å; I1022-K1024 VanDerWaalsContact C-N 3.26Å; I1022-K1024 PolarHBondContact O-N 3.25Å; I1022-S1025 WeakPolarHBondContact CA-OG 3.37Å; I1022-S1025 PolarHBondContact O-N 3.02Å; I1022-S1025 PolarHBondContact O-OG 3.3Å; I1022-H1026 PolarHBondContact O-N 2.93Å; I1022-H1026 VanDerWaalsContact O-N 3.08Å |
| 1023 | E | 76.2 | Confident | 62.7 | Low | 81 Ų | 81 | 80.5 Ų | 80.5 | 38% | 0.379 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58 | -38.8 | 176.7 | -69.9 | 171 | 164.7 | 0 | 0 | 111.3 | R1019 H1026 N1027 | R1019-E1023 IonicContact CZ-OE1 3.79Å; R1019-E1023 VanDerWaalsContact CZ-OE1 3.23Å; R1019-E1023 IonicContact NE-OE1 3.67Å; R1019-E1023 PolarHBondContact NE-OE1 2.96Å; R1019-E1023 IonicContact NE-OE2 3.79Å; R1019-E1023 IonicContact NH2-OE1 2.69Å; R1019-E1023 PolarHBondContact NH2-OE1 2.8Å; R1019-E1023 PolarHBondContact O-N 3.22Å; E1023-H1026 PolarHBondContact O-N 3.15Å; E1023-N1027 PolarHBondContact O-N 3.26Å |
| 1024 | K | 73.2 | Confident | 60.3 | Low | 130 Ų | 130 | 85.1 Ų | 85.1 | 57% | 0.565 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 170.2 | -75.1 | 169.5 | -178.5 | -178.6 | 0 | 113 | K1020 I1022 H1026 N1027 S1028 | K1020-K1024 VanDerWaalsContact O-CG 3.25Å; K1020-K1024 WeakPolarHBondContact O-CG 3.41Å; K1020-K1024 PolarHBondContact O-N 3.03Å; I1022-K1024 VanDerWaalsContact C-N 3.26Å; I1022-K1024 PolarHBondContact O-N 3.25Å; K1024-H1026 VanDerWaalsContact C-N 3.28Å; K1024-H1026 PolarHBondContact O-N 3.04Å; K1024-N1027 PolarHBondContact O-N 3.15Å; K1024-S1028 PolarHBondContact O-N 3.18Å; K1024-S1028 PolarHBondContact O-OG 3.18Å |
| 1025 | S | 59.6 | Low | 57.9 | Low | 55 Ų | 55 | 91.2 Ų | 91.2 | 39% | 0.385 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68 | -22.9 | -178.7 | 67.7 | 0 | 0 | 0 | 0 | 114.3 | D1021 I1022 S1028 | D1021-S1025 PolarHBondContact O-N 3.01Å; D1021-S1025 VanDerWaalsContact O-N 3.11Å; I1022-S1025 WeakPolarHBondContact CA-OG 3.37Å; I1022-S1025 PolarHBondContact O-N 3.02Å; I1022-S1025 PolarHBondContact O-OG 3.3Å; S1025-S1028 PolarHBondContact O-OG 3.28Å |
| 1026 | H | 54.6 | Low | 55.4 | Low | 102 Ų | 102 | 96.7 Ų | 96.7 | 47% | 0.472 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -74.6 | -46.2 | 168 | -104.8 | -80.8 | 0 | 0 | 0 | 111.9 | E957 I1022 E1023 K1024 S1028 L1029 | E957-H1026 IonicContact OE1-CD2 3.05Å; E957-H1026 IonicContact OE1-CE1 3.56Å; E957-H1026 IonicContact OE1-NE2 3.09Å; E957-H1026 PolarHBondContact OE1-NE2 3.41Å; I1022-H1026 PolarHBondContact O-N 2.93Å; I1022-H1026 VanDerWaalsContact O-N 3.08Å; E1023-H1026 PolarHBondContact O-N 3.15Å; K1024-H1026 VanDerWaalsContact C-N 3.28Å; K1024-H1026 PolarHBondContact O-N 3.04Å; H1026-S1028 PolarHBondContact O-N 2.92Å; H1026-S1028 VanDerWaalsContact O-N 3.15Å; H1026-L1029 WeakPolarHBondContact O-CB 3.09Å; H1026-L1029 PolarHBondContact O-N 3.44Å |
| 1027 | N | 48.5 | Very low | 52.8 | Low | 120 Ų | 120 | 100.6 Ų | 100.6 | 64% | 0.642 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -63.7 | -24.1 | -176.3 | -70.5 | -13.7 | 0 | 0 | 0 | 113.5 | E1023 K1024 L1029 A1030 | E1023-N1027 PolarHBondContact O-N 3.26Å; K1024-N1027 PolarHBondContact O-N 3.15Å; N1027-L1029 PolarHBondContact O-N 3.42Å; N1027-L1029 VanDerWaalsContact O-N 3.17Å; N1027-A1030 PolarHBondContact O-N 3.28Å; N1027-A1030 VanDerWaalsContact O-N 3.14Å |
| 1028 | S | 44.5 | Very low | 50.4 | Low | 90 Ų | 90 | 105 Ų | 105 | 63% | 0.629 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.5 | -8.7 | 170.7 | 36.8 | 0 | 0 | 0 | 0 | 115.4 | K1024 S1025 H1026 | K1024-S1028 PolarHBondContact O-N 3.18Å; K1024-S1028 PolarHBondContact O-OG 3.18Å; S1025-S1028 PolarHBondContact O-OG 3.28Å; H1026-S1028 PolarHBondContact O-N 2.92Å; H1026-S1028 VanDerWaalsContact O-N 3.15Å |
| 1029 | L | 37.5 | Very low | 47.9 | Very low | 132 Ų | 132 | 111.9 Ų | 111.9 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -10.7 | 172 | -121.6 | 71.7 | 0 | 0 | 0 | 113.7 | H1026 N1027 | H1026-L1029 WeakPolarHBondContact O-CB 3.09Å; H1026-L1029 PolarHBondContact O-N 3.44Å; N1027-L1029 PolarHBondContact O-N 3.42Å; N1027-L1029 VanDerWaalsContact O-N 3.17Å |
| 1030 | A | 31 | Very low | 45.5 | Very low | 80 Ų | 80 | 109.5 Ų | 109.5 | 66% | 0.661 | 64% | 0.642 | S | S | * | * | trans | -120.1 | 83.1 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1027 | N1027-A1030 PolarHBondContact O-N 3.28Å; N1027-A1030 VanDerWaalsContact O-N 3.14Å | ||
| 1031 | S | 27.9 | Very low | 43 | Very low | 101 Ų | 101 | 111.8 Ų | 111.8 | 71% | 0.706 | 66% | 0.658 | S | S | * | * | trans | -152.1 | 122.5 | 169.2 | -73.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1032 | P | 32.3 | Very low | 40.9 | Very low | 129 Ų | 129 | 118 Ų | 118 | 84% | 0.838 | 68% | 0.682 | S | S | * | * | trans | -74.8 | 142.1 | 178.4 | 30.7 | -33.9 | 0 | 0 | 0 | 111.5 | T1034 | P1032-T1034 PolarHBondContact O-N 2.88Š| ||
| 1033 | L | 27.5 | Very low | 38.9 | Very low | 173 Ų | 173 | 123.5 Ų | 123.5 | 91% | 0.906 | 72% | 0.717 | S | S | * | * | trans | -70.2 | 125.6 | -179.7 | -68.1 | 164.7 | 0 | 0 | 0 | 111.9 | ||||
| 1034 | T | 33.9 | Very low | 36.7 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 83% | 0.828 | 74% | 0.736 | S | S | * | * | trans | -136.8 | 131 | 149.9 | 41.9 | 0 | 0 | 0 | 0 | 109.1 | P1032 | P1032-T1034 PolarHBondContact O-N 2.88Š| ||
| 1035 | P | 32.3 | Very low | 34.9 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | -87.1 | 154.4 | -174.7 | 34.1 | -35 | 0 | 0 | 0 | 113 | ||||
| 1036 | T | 28.8 | Very low | 33.5 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -68.8 | 141.6 | 176.3 | 49.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1037 | N | 30.6 | Very low | 32.3 | Very low | 153 Ų | 153 | 123.2 Ų | 123.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -159.6 | 151.9 | 142.8 | -113.7 | -36.8 | 0 | 0 | 0 | 115.1 | ||||
| 1038 | L | 30.7 | Very low | 31.5 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | 51.7 | 103.7 | 164.2 | -89.7 | 63.7 | 0 | 0 | 0 | 121.6 | ||||
| 1039 | V | 27.3 | Very low | 30.8 | Very low | 146 Ų | 146 | 129.2 Ų | 129.2 | 89% | 0.885 | 80% | 0.802 | S | S | * | * | 21.9 | 121.1 | 113.8 | -173.9 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1040 | G | 30.5 | Very low | 30.4 | Very low | 75 Ų | 75 | 128.3 Ų | 128.3 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -174.4 | 128.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1041 | I | 28.3 | Very low | 30.3 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -114 | 119.6 | -175.3 | -58.9 | 168.9 | 0 | 0 | 0 | 110.8 | ||||
| 1042 | K | 31.1 | Very low | 30.5 | Very low | 191 Ų | 191 | 130 Ų | 130 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | trans | -178.1 | 119.8 | 135.5 | -107.3 | 178.2 | 176.6 | 179.1 | 0 | 116.2 | ||||
| 1043 | T | 30.8 | Very low | 30.3 | Very low | 133 Ų | 133 | 129.1 Ų | 129.1 | 82% | 0.816 | 82% | 0.816 | S | S | * | * | trans | 27.5 | 122.7 | 132.9 | 59.6 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1044 | G | 29.4 | Very low | 30.4 | Very low | 76 Ų | 76 | 125.7 Ų | 125.7 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | trans | 169.6 | 112.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1045 | P | 36 | Very low | 30.1 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 90% | 0.896 | 81% | 0.81 | S | S | * | * | trans | -111.7 | 152 | -170.4 | 38.7 | -32.1 | 0 | 0 | 0 | 116.6 | ||||
| 1046 | G | 30.3 | Very low | 29.6 | Very low | 86 Ų | 86 | 128.8 Ų | 128.8 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | 111.2 | 135.1 | 169 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1047 | G | 29.8 | Very low | 29.4 | Very low | 63 Ų | 63 | 127 Ų | 127 | 65% | 0.649 | 81% | 0.809 | S | S | * | * | cis | 179.9 | 178.7 | -6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1048 | Y | 31.6 | Very low | 29.3 | Very low | 231 Ų | 231 | 126 Ų | 126 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | 81.9 | 129.9 | 167.5 | -57.1 | -78.3 | 0 | 0 | 0 | 121.9 | ||||
| 1049 | S | 30.1 | Very low | 29 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | 65.6 | 99.6 | 146.6 | 50.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 1050 | S | 29.1 | Very low | 29 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | 66.3 | 107.2 | 115.3 | -50.2 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1051 | S | 28.8 | Very low | 28.8 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 85% | 0.846 | 82% | 0.822 | S | S | * | * | 163.6 | 163.2 | 109.9 | -72.6 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1052 | A | 30.4 | Very low | 28.7 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 79% | 0.793 | 82% | 0.818 | S | S | * | * | trans | 65.7 | 88.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1053 | S | 28.2 | Very low | 28.4 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -18.8 | 148.3 | 140.1 | 55.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 1054 | S | 30.6 | Very low | 28.2 | Very low | 101 Ų | 101 | 125 Ų | 125 | 71% | 0.706 | 81% | 0.808 | S | S | * | * | cis | -165.4 | 131.1 | 49.5 | 42.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1055 | L | 28.4 | Very low | 28 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | 48.9 | 103.8 | 128.8 | -59.6 | 168.4 | 0 | 0 | 0 | 121 | |||||
| 1056 | N | 21.6 | Very low | 27.5 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | trans | -152.3 | 79.1 | 147.8 | -164.7 | 16.5 | 0 | 0 | 0 | 112.2 | ||||
| 1057 | A | 24.7 | Very low | 27.4 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -158.9 | 122.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1058 | S | 28.1 | Very low | 27.2 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 93% | 0.93 | 82% | 0.816 | S | S | * | * | trans | -152.5 | 79.4 | 160.3 | -77.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1059 | A | 25 | Very low | 27 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -117.3 | 145.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1060 | N | 26.4 | Very low | 26.7 | Very low | 167 Ų | 167 | 137.3 Ų | 137.3 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | trans | -61 | 139.5 | -168.8 | -57.2 | -55.4 | 0 | 0 | 0 | 112.9 | ||||
| 1061 | L | 27.2 | Very low | 26.7 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | trans | -152.8 | 163.6 | 135.9 | -112 | 169.1 | 0 | 0 | 0 | 111.7 | ||||
| 1062 | L | 24.5 | Very low | 26.6 | Very low | 144 Ų | 144 | 137.9 Ų | 137.9 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | -88.7 | 171.5 | -156.5 | -83.5 | 152.4 | 0 | 0 | 0 | 115.1 | ||||
| 1063 | T | 26.4 | Very low | 26.3 | Very low | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | trans | 75.1 | 129.8 | 149.1 | 38.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1064 | N | 25.2 | Very low | 26.3 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | 61.8 | 105.5 | 146.6 | -57.2 | -4.7 | 0 | 0 | 0 | 118.9 | ||||
| 1065 | F | 26.3 | Very low | 26.1 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | -141 | 145.8 | 111.8 | -120.2 | -80.5 | 0 | 0 | 0 | 111.6 | |||||
| 1066 | T | 25.7 | Very low | 26 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -100.7 | 150.2 | -178.7 | 49 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1067 | G | 26.7 | Very low | 26.3 | Very low | 66 Ų | 66 | 140 Ų | 140 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | trans | 126.3 | 77 | 151.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1068 | F | 25.9 | Very low | 26.5 | Very low | 221 Ų | 221 | 141 Ų | 141 | 97% | 0.969 | 80% | 0.804 | S | S | * | * | trans | -137.6 | 143.3 | 135.2 | -99.2 | -76.8 | 0 | 0 | 0 | 108.2 | ||||
| 1069 | Q | 27.5 | Very low | 26.7 | Very low | 179 Ų | 179 | 140.8 Ų | 140.8 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -123.4 | 109.3 | -154.2 | 175.7 | 169.9 | -14.3 | 0 | 0 | 113.3 | ||||
| 1070 | M | 25.1 | Very low | 26.8 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 74% | 0.739 | 81% | 0.805 | S | S | * | * | trans | 67 | 166.1 | 145.3 | -72.9 | -56.1 | -179.1 | 0 | 0 | 118.2 | ||||
| 1071 | P | 28.8 | Very low | 27 | Very low | 110 Ų | 110 | 145.4 Ų | 145.4 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | cis | -123.6 | 152.6 | 11 | 39.6 | -24.6 | 0 | 0 | 0 | 118.6 | ||||
| 1072 | D | 25.5 | Very low | 27.1 | Very low | 136 Ų | 136 | 143 Ų | 143 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | 36.1 | 109.6 | 140.8 | -54.5 | -36.8 | 0 | 0 | 0 | 120.1 | ||||
| 1073 | A | 25.7 | Very low | 27.3 | Very low | 78 Ų | 78 | 143.3 Ų | 143.3 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | 179.4 | 171.5 | 92.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1074 | W | 27.3 | Very low | 27.4 | Very low | 246 Ų | 246 | 143 Ų | 143 | 93% | 0.932 | 80% | 0.8 | S | S | * | * | trans | 65.7 | 83.4 | 167.2 | -54.9 | 98.9 | 0 | 0 | 0 | 118.2 | ||||
| 1075 | V | 25.5 | Very low | 27.6 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | -123.6 | 120.3 | 148.8 | 176.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1076 | A | 26.3 | Very low | 27.7 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -143 | 143.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1077 | P | 29.3 | Very low | 27.9 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -124.6 | 167.8 | -144.3 | 34.2 | -16.5 | 0 | 0 | 0 | 115.7 | ||||
| 1078 | S | 28.3 | Very low | 27.9 | Very low | 115 Ų | 115 | 149 Ų | 149 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -61.6 | 147.2 | 168.5 | -53 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1079 | P | 31.9 | Very low | 28.2 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -79.7 | 154 | -164.4 | 31.4 | -36.9 | 0 | 0 | 0 | 114.3 | ||||
| 1080 | R | 26.8 | Very low | 28.3 | Very low | 247 Ų | 247 | 147.1 Ų | 147.1 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | trans | -121.4 | 144.7 | 160.5 | -90.1 | -169.2 | 169.7 | -143.8 | -1 | 111 | ||||
| 1081 | S | 30.9 | Very low | 28.4 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | -63.8 | 146.4 | 179.1 | -42 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1082 | P | 29.6 | Very low | 28.4 | Very low | 118 Ų | 118 | 148.8 Ų | 148.8 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | trans | -81.3 | 145 | 175.5 | 33.4 | -34.1 | 0 | 0 | 0 | 111.7 | ||||
| 1083 | L | 29.3 | Very low | 28.7 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 80% | 0.796 | 82% | 0.824 | S | S | * | * | trans | -157.5 | 161.5 | 131.9 | -134.1 | 72.3 | 0 | 0 | 0 | 111.8 | ||||
| 1084 | S | 27 | Very low | 28.8 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 75% | 0.748 | 84% | 0.836 | S | S | * | * | trans | -50.3 | 144.8 | -172.1 | 54.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1085 | S | 30.2 | Very low | 29.1 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | -134.7 | 158.4 | 129 | 64.5 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 1086 | N | 28 | Very low | 29.2 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 77% | 0.765 | 83% | 0.827 | S | S | * | * | trans | -139.9 | 156.1 | -173.1 | -167.2 | -5.7 | 0 | 0 | 0 | 109 | ||||
| 1087 | K | 31.1 | Very low | 29.4 | Very low | 177 Ų | 177 | 150.4 Ų | 150.4 | 77% | 0.77 | 83% | 0.834 | S | S | * | * | trans | 78.4 | 106.1 | 179 | -56.7 | -179.3 | 177.1 | 178.9 | 0 | 117.8 | ||||
| 1088 | Y | 26.9 | Very low | 29.5 | Very low | 228 Ų | 228 | 150 Ų | 150 | 89% | 0.894 | 83% | 0.834 | S | S | * | * | 25 | 126.1 | 114.4 | -66.6 | -82.4 | 0 | 0 | 0 | 118.7 | |||||
| 1089 | S | 30.5 | Very low | 29.6 | Very low | 124 Ų | 124 | 149 Ų | 149 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | trans | -105 | 167.6 | 152.5 | -164.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 1090 | R | 29.5 | Very low | 29.6 | Very low | 236 Ų | 236 | 149.3 Ų | 149.3 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | -89.2 | 147.2 | -164.9 | -77.8 | 179.3 | 170.4 | 179.6 | -4.8 | 114.4 | ||||
| 1091 | F | 28.9 | Very low | 29.8 | Very low | 217 Ų | 217 | 144 Ų | 144 | 95% | 0.952 | 81% | 0.812 | S | S | * | * | trans | -84.3 | 153.1 | 139.1 | -91.1 | -90 | 0 | 0 | 0 | 109.4 | ||||
| 1092 | G | 27.1 | Very low | 29.9 | Very low | 78 Ų | 78 | 144.1 Ų | 144.1 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -136.6 | 142.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1093 | A | 32.1 | Very low | 29.9 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -157.6 | 154.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1094 | D | 29 | Very low | 30.1 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -79.6 | 155.1 | -161.7 | -47.5 | -86.1 | 0 | 0 | 0 | 115.3 | ||||
| 1095 | S | 32.2 | Very low | 30.2 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | -169.5 | 177.8 | 116.1 | -157.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 1096 | L | 28.7 | Very low | 30.1 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -110.2 | 173.3 | -163.3 | -70.4 | 155.6 | 0 | 0 | 0 | 114 | ||||
| 1097 | Q | 30.7 | Very low | 30.4 | Very low | 193 Ų | 193 | 142.6 Ų | 142.6 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | 72.8 | 148.6 | 167.1 | -60.6 | 166.1 | -1.6 | 0 | 0 | 115.7 | ||||
| 1098 | S | 31.4 | Very low | 30.4 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | cis | -141.2 | 149.4 | 2.3 | -177.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1099 | S | 29.4 | Very low | 30.7 | Very low | 93 Ų | 93 | 134 Ų | 134 | 65% | 0.65 | 79% | 0.791 | S | S | * | * | trans | -35.2 | 146.5 | 165.4 | -38.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1100 | N | 32.1 | Very low | 30.6 | Very low | 135 Ų | 135 | 133 Ų | 133 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | 174.1 | 130.6 | 106.4 | -87.8 | -17.6 | 0 | 0 | 0 | 114.8 | |||||
| 1101 | N | 32 | Very low | 30.7 | Very low | 135 Ų | 135 | 128.9 Ų | 128.9 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 62.9 | 148.3 | 133.5 | -59.2 | -6.5 | 0 | 0 | 0 | 120.7 | ||||
| 1102 | T | 32.5 | Very low | 30.7 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | cis | -165.2 | 121.3 | -5.1 | 17.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 1103 | S | 28.1 | Very low | 30.8 | Very low | 99 Ų | 99 | 124.6 Ų | 124.6 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | 89.2 | 106.6 | 72.8 | 75.8 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1104 | T | 34.2 | Very low | 30.7 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | trans | -176.5 | 119.4 | 142.3 | 36.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1105 | S | 29.7 | Very low | 30.7 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | cis | 79 | 136.1 | 40.9 | 80.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1106 | L | 28.5 | Very low | 30.2 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 82% | 0.817 | 75% | 0.753 | S | S | * | * | cis | -172.3 | 152.4 | -9 | -115.9 | 173.5 | 0 | 0 | 0 | 107.7 | ||||
| 1107 | T | 33.4 | Very low | 30 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 163 | 133.2 | 135.3 | 42 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1108 | S | 30.8 | Very low | 29.9 | Very low | 101 Ų | 101 | 121.6 Ų | 121.6 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | 49.5 | 131.9 | 148.1 | 59 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1109 | T | 33.4 | Very low | 29.5 | Very low | 125 Ų | 125 | 122.5 Ų | 122.5 | 77% | 0.767 | 75% | 0.754 | S | S | * | * | cis | -160.9 | 152.2 | 1.3 | 5.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1110 | S | 29.8 | Very low | 29.4 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | 30.8 | 140.2 | 144.4 | -51.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1111 | L | 29.8 | Very low | 29 | Very low | 151 Ų | 151 | 122.5 Ų | 122.5 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | cis | -166.2 | 165.9 | -0.6 | -112.3 | 169.4 | 0 | 0 | 0 | 108.7 | ||||
| 1112 | S | 30.3 | Very low | 28.9 | Very low | 95 Ų | 95 | 121.9 Ų | 121.9 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | 46.8 | 100 | 162.6 | 50.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1113 | S | 29.5 | Very low | 28.5 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | 74.8 | 134 | 85.6 | 75.7 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1114 | C | 28.6 | Very low | 28.5 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | cis | -147.1 | 156.6 | 15 | -36.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1115 | Y | 28.9 | Very low | 28.1 | Very low | 230 Ų | 230 | 126.4 Ų | 126.4 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | trans | 46 | 108.4 | 156.2 | -66.1 | -68.2 | 0 | 0 | 0 | 122.2 | ||||
| 1116 | S | 23.2 | Very low | 27.9 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -77.1 | 163.4 | 156.6 | -37 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1117 | S | 23.9 | Very low | 27.8 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 62.8 | 107.5 | 147.6 | -55.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1118 | S | 27.6 | Very low | 27.6 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -145.6 | 103.4 | 151.4 | -80.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1119 | S | 24.1 | Very low | 27.3 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -92.6 | 100.4 | 179.7 | -55.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1120 | T | 27.5 | Very low | 27 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | trans | -125.6 | 126.4 | 174 | 47.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1121 | S | 24.2 | Very low | 27 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -26.5 | 133.9 | 169.1 | 52.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1122 | S | 28.8 | Very low | 27.1 | Very low | 121 Ų | 121 | 125.1 Ų | 125.1 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | trans | -147 | 119.5 | 137.8 | -83.1 | 0 | 0 | 0 | 0 | 109.8 | G1124 | S1122-G1124 VanDerWaalsContact C-N 3.31Å; S1122-G1124 PolarHBondContact O-N 3.12Å | ||
| 1123 | Y | 24.6 | Very low | 26.9 | Very low | 215 Ų | 215 | 124.6 Ų | 124.6 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | trans | -74.9 | 85.6 | 172.9 | -87.6 | -90.9 | 0 | 0 | 0 | 109.2 | L1125 | Y1123-L1125 PolarHBondContact O-N 3.3Š| ||
| 1124 | G | 26.7 | Very low | 27.1 | Very low | 71 Ų | 71 | 126.1 Ų | 126.1 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | -64.9 | 110.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | S1122 H1126 | S1122-G1124 VanDerWaalsContact C-N 3.31Å; S1122-G1124 PolarHBondContact O-N 3.12Å; G1124-H1126 PolarHBondContact O-N 3.46Å | ||
| 1125 | L | 26 | Very low | 27.1 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | -66.8 | 103.9 | 168.6 | -78.7 | 166.5 | 0 | 0 | 0 | 108.5 | Y1123 L1127 | Y1123-L1125 PolarHBondContact O-N 3.3Å; L1125-L1127 HydrophobicContact CB-CD1 3.85Å; L1125-L1127 WeakPolarHBondContact O-CD1 3.5Å; L1125-L1127 PolarHBondContact O-N 3.05Å | ||
| 1126 | H | 26.6 | Very low | 27.2 | Very low | 179 Ų | 179 | 123.7 Ų | 123.7 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -71.1 | 79.7 | 173 | -175.2 | -85.9 | 0 | 0 | 0 | 110 | G1124 | G1124-H1126 PolarHBondContact O-N 3.46Š| ||
| 1127 | L | 26.9 | Very low | 27.3 | Very low | 113 Ų | 113 | 121 Ų | 121 | 59% | 0.592 | 74% | 0.743 | S | S | * | * | trans | -59.2 | 132 | 166.4 | -85.8 | 68.6 | 0 | 0 | 0 | 108.3 | L1125 I1129 | L1125-L1127 HydrophobicContact CB-CD1 3.85Å; L1125-L1127 WeakPolarHBondContact O-CD1 3.5Å; L1125-L1127 PolarHBondContact O-N 3.05Å; L1127-I1129 VanDerWaalsContact C-N 3.35Å; L1127-I1129 HydrophobicContact CB-CD1 4.38Å; L1127-I1129 PolarHBondContact O-N 3.23Å | ||
| 1128 | P | 27.7 | Very low | 27.5 | Very low | 107 Ų | 107 | 124.1 Ų | 124.1 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | trans | -68.3 | 97.8 | 163.3 | 29 | -31.7 | 0 | 0 | 0 | 108.4 | G1130 | P1128-G1130 PolarHBondContact O-N 2.88Å; P1128-G1130 VanDerWaalsContact O-N 3.15Å | ||
| 1129 | I | 25.9 | Very low | 27.5 | Very low | 160 Ų | 160 | 125 Ų | 125 | 82% | 0.821 | 74% | 0.743 | S | S | * | * | trans | -57.3 | 117 | 159.1 | -101.9 | 60 | 0 | 0 | 0 | 106.2 | L1127 | L1127-I1129 VanDerWaalsContact C-N 3.35Å; L1127-I1129 HydrophobicContact CB-CD1 4.38Å; L1127-I1129 PolarHBondContact O-N 3.23Å | ||
| 1130 | G | 26.7 | Very low | 27.7 | Very low | 56 Ų | 56 | 122.5 Ų | 122.5 | 58% | 0.577 | 74% | 0.738 | S | S | * | * | trans | -176.2 | 36.1 | -158.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1128 P1132 | P1128-G1130 PolarHBondContact O-N 2.88Å; P1128-G1130 VanDerWaalsContact O-N 3.15Å; G1130-P1132 VanDerWaalsContact C-CD 3.46Å; G1130-P1132 WeakPolarHBondContact O-CD 3.42Å | ||
| 1131 | T | 29.7 | Very low | 27.7 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | trans | -109.4 | 85.2 | 179.7 | 46.9 | 0 | 0 | 0 | 0 | 110.9 | L1133 | T1131-L1133 PolarHBondContact O-N 2.85Š| ||
| 1132 | P | 32 | Very low | 28 | Very low | 110 Ų | 110 | 120.8 Ų | 120.8 | 71% | 0.714 | 73% | 0.731 | S | S | * | * | trans | -76.7 | 80.6 | 167.3 | 32.6 | -33.6 | 0 | 0 | 0 | 109.7 | G1130 | G1130-P1132 VanDerWaalsContact C-CD 3.46Å; G1130-P1132 WeakPolarHBondContact O-CD 3.42Å | ||
| 1133 | L | 27.1 | Very low | 28 | Very low | 85 Ų | 85 | 119 Ų | 119 | 45% | 0.445 | 72% | 0.717 | S | S | . | * | trans | -117.5 | 140.5 | 153.1 | -76.3 | 172.3 | 0 | 0 | 0 | 107.1 | V200 T1131 | V200-L1133 HydrophobicContact CG2-CD1 3.83Å; T1131-L1133 PolarHBondContact O-N 2.85Å | ||
| 1134 | T | 32.9 | Very low | 28.2 | Very low | 140 Ų | 140 | 114.2 Ų | 114.2 | 86% | 0.859 | 70% | 0.702 | S | S | * | * | S | Bend | trans | 49.7 | 76.7 | -177.7 | 55.3 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1135 | N | 28.4 | Very low | 28.3 | Very low | 147 Ų | 147 | 117.6 Ų | 117.6 | 79% | 0.786 | 70% | 0.702 | S | S | * | * | trans | -141.4 | 99 | 153.5 | -151.2 | 10.1 | 0 | 0 | 0 | 109.3 | G1137 | N1135-G1137 PolarHBondContact O-N 2.93Š| ||
| 1136 | P | 30 | Very low | 28.3 | Very low | 138 Ų | 138 | 114 Ų | 114 | 90% | 0.896 | 69% | 0.691 | S | S | * | * | trans | -80.4 | 67.9 | 179.5 | 33.9 | -34.1 | 0 | 0 | 0 | 110.3 | ||||
| 1137 | G | 27.1 | Very low | 28.3 | Very low | 49 Ų | 49 | 113.5 Ų | 113.5 | 51% | 0.505 | 69% | 0.694 | S | S | . | * | trans | -136.1 | 137.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N1135 | N1135-G1137 PolarHBondContact O-N 2.93Š| ||
| 1138 | L | 28 | Very low | 28.5 | Very low | 176 Ų | 176 | 116.6 Ų | 116.6 | 92% | 0.921 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 57 | 66.5 | -177.6 | -72.5 | 80.8 | 0 | 0 | 0 | 115.9 | ||
| 1139 | M | 27.9 | Very low | 28.6 | Very low | 135 Ų | 135 | 120.1 Ų | 120.1 | 67% | 0.665 | 72% | 0.717 | S | S | * | * | trans | -153 | 38.7 | 135.5 | -90.5 | -147.6 | 83.4 | 0 | 0 | 111.8 | A1141 | M1139-A1141 VanDerWaalsContact C-N 3.32Å; M1139-A1141 PolarHBondContact O-N 3.16Å; M1139-A1141 VanDerWaalsContact O-N 3.07Å | ||
| 1140 | G | 26.9 | Very low | 28.6 | Very low | 76 Ų | 76 | 120.3 Ų | 120.3 | 78% | 0.784 | 72% | 0.718 | S | S | * | * | trans | -79.7 | 73.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1141 | A | 27.9 | Very low | 28.9 | Very low | 81 Ų | 81 | 121 Ų | 121 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | trans | -98.5 | 62.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | M1139 P1143 | M1139-A1141 VanDerWaalsContact C-N 3.32Å; M1139-A1141 PolarHBondContact O-N 3.16Å; M1139-A1141 VanDerWaalsContact O-N 3.07Å; A1141-P1143 WeakPolarHBondContact O-CD 3.44Å | ||
| 1142 | T | 29.7 | Very low | 28.8 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | trans | -93.1 | 109.1 | 172.6 | 34.7 | 0 | 0 | 0 | 0 | 109.5 | H1144 | T1142-H1144 PolarHBondContact O-N 3.41Š| ||
| 1143 | P | 30.3 | Very low | 28.7 | Very low | 84 Ų | 84 | 123.9 Ų | 123.9 | 55% | 0.545 | 74% | 0.743 | S | S | . | * | trans | -72.4 | 95 | 172.3 | 28.8 | -31.9 | 0 | 0 | 0 | 109.1 | Y479 A1141 L1145 | Y479-P1143 HydrophobicContact CD1-CG 3.94Å; Y479-P1143 HydrophobicContact CE1-CG 3.5Å; Y479-P1143 VanDerWaalsContact CE1-CG 3.5Å; A1141-P1143 WeakPolarHBondContact O-CD 3.44Å; P1143-L1145 PolarHBondContact O-N 2.81Å; P1143-L1145 VanDerWaalsContact O-N 3.15Å | ||
| 1144 | H | 28.9 | Very low | 28.9 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 52% | 0.523 | 77% | 0.766 | S | S | . | * | trans | -74.5 | 107 | -177 | -136.9 | -41.9 | 0 | 0 | 0 | 110.4 | R786 T1142 S1146 | R786-H1144 PolarHBondContact NH1-NE2 2.92Å; R786-H1144 PolarHBondContact NH2-CE1 3.46Å; R786-H1144 PolarHBondContact NH2-NE2 3.46Å; T1142-H1144 PolarHBondContact O-N 3.41Å; H1144-S1146 PolarHBondContact O-N 3.32Å | ||
| 1145 | L | 27.4 | Very low | 28.7 | Very low | 143 Ų | 143 | 131.3 Ų | 131.3 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -71.8 | 85.8 | 177.2 | -75.6 | 167.4 | 0 | 0 | 0 | 111.5 | W572 P1143 | W572-L1145 HydrophobicContact CH2-CD1 4.5Å; W572-L1145 HydrophobicContact CZ2-CD1 4.07Å; P1143-L1145 PolarHBondContact O-N 2.81Å; P1143-L1145 VanDerWaalsContact O-N 3.15Å | ||
| 1146 | S | 25.6 | Very low | 29 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | trans | -176.5 | 66.7 | 159.1 | 30.7 | 0 | 0 | 0 | 0 | 113.8 | H1144 | H1144-S1146 PolarHBondContact O-N 3.32Š| ||
| 1147 | N | 27.5 | Very low | 29 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | 179.6 | 105.7 | 142 | -97.2 | -26.9 | 0 | 0 | 0 | 111.9 | ||||
| 1148 | L | 31.2 | Very low | 29.2 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 94% | 0.937 | 78% | 0.775 | S | S | * | * | trans | -155.3 | 130.7 | 146.8 | -117.5 | 169.2 | 0 | 0 | 0 | 108.9 | ||||
| 1149 | H | 29.2 | Very low | 29.1 | Very low | 181 Ų | 181 | 135.6 Ų | 135.6 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | -77.9 | 162.1 | -173.8 | -134 | 75.2 | 0 | 0 | 0 | 111.5 | G1151 | H1149-G1151 PolarHBondContact O-N 3.39Å; H1149-G1151 VanDerWaalsContact O-N 3.13Å | ||
| 1150 | I | 26.4 | Very low | 29.2 | Very low | 163 Ų | 163 | 139 Ų | 139 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -64.9 | 113 | 176.1 | -67.3 | 164.7 | 0 | 0 | 0 | 109.4 | ||||
| 1151 | G | 32 | Very low | 29.3 | Very low | 71 Ų | 71 | 142.7 Ų | 142.7 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | trans | -115.9 | 118.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | H1149 | H1149-G1151 PolarHBondContact O-N 3.39Å; H1149-G1151 VanDerWaalsContact O-N 3.13Å | ||
| 1152 | Q | 28.2 | Very low | 29.6 | Very low | 200 Ų | 200 | 144.1 Ų | 144.1 | 94% | 0.935 | 79% | 0.785 | S | S | * | * | trans | -74.3 | 126.2 | 176 | -68.6 | 176.3 | -38.7 | 0 | 0 | 110.5 | ||||
| 1153 | G | 30.7 | Very low | 29.4 | Very low | 77 Ų | 77 | 143.9 Ų | 143.9 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -118.7 | 124.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1154 | Q | 31.4 | Very low | 29.4 | Very low | 199 Ų | 199 | 147.9 Ų | 147.9 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 167.8 | -179.9 | -75.9 | -176.1 | -29.4 | 0 | 0 | 113.2 | ||
| 1155 | M | 28.6 | Very low | 29.4 | Very low | 182 Ų | 182 | 148.5 Ų | 148.5 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 162.5 | -179.2 | -85.1 | -72.7 | 179.7 | 0 | 0 | 114 | ||
| 1156 | P | 34 | Very low | 30 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 172.7 | -156 | 36.6 | -39.5 | 0 | 0 | 0 | 115.4 | ||
| 1157 | S | 31.1 | Very low | 30.2 | Very low | 123 Ų | 123 | 148.3 Ų | 148.3 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | trans | -125 | 171.7 | 167.7 | -164.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1158 | L | 30.4 | Very low | 30.8 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 72% | 0.723 | 81% | 0.811 | S | S | * | * | trans | -114.5 | 148.5 | -150.9 | -78.5 | 158.7 | 0 | 0 | 0 | 115.4 | ||||
| 1159 | R | 25.4 | Very low | 30.8 | Very low | 223 Ų | 223 | 145 Ų | 145 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | 47.2 | 126.4 | 144 | -62.9 | 172.3 | -179.8 | 174.5 | 0.1 | 119.2 | ||||
| 1160 | K | 30.2 | Very low | 30.9 | Very low | 206 Ų | 206 | 142.6 Ų | 142.6 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | -160.2 | 140.3 | 115.1 | -109.4 | 161.6 | -174.4 | 177.4 | 0 | 112.8 | |||||
| 1161 | L | 29.9 | Very low | 31 | Very low | 154 Ų | 154 | 142.5 Ų | 142.5 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -143.2 | 137.9 | 167.3 | -157.3 | 91.9 | 0 | 0 | 0 | 107 | T1163 | L1161-T1163 HydrophobicContact CD2-CG2 4.2Š| ||
| 1162 | P | 33 | Very low | 30.9 | Very low | 111 Ų | 111 | 143.5 Ų | 143.5 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | trans | -142.3 | 123.9 | 131.5 | 27.9 | -10 | 0 | 0 | 0 | 111.5 | ||||
| 1163 | T | 26.3 | Very low | 31.1 | Very low | 106 Ų | 106 | 139 Ų | 139 | 65% | 0.65 | 78% | 0.782 | S | S | * | * | 57.5 | 105.4 | 77.3 | 63.9 | 0 | 0 | 0 | 0 | 116.2 | L1161 | L1161-T1163 HydrophobicContact CD2-CG2 4.2Š| |||
| 1164 | L | 30 | Very low | 31 | Very low | 169 Ų | 169 | 143.4 Ų | 143.4 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | 171.5 | 156.3 | 115.4 | -90.7 | 160.5 | 0 | 0 | 0 | 113.8 | |||||
| 1165 | T | 29.5 | Very low | 30.9 | Very low | 125 Ų | 125 | 138.3 Ų | 138.3 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | -118.2 | -178.9 | 167.1 | 53.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1166 | P | 38.8 | Very low | 30.9 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | cis | -144 | -171.7 | 9.8 | 45 | -25.3 | 0 | 0 | 0 | 117.6 | ||||
| 1167 | S | 30.5 | Very low | 30.6 | Very low | 116 Ų | 116 | 134.2 Ų | 134.2 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | 83.2 | 159.2 | 148.1 | -71.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1168 | P | 39.6 | Very low | 30.5 | Very low | 109 Ų | 109 | 134 Ų | 134 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | trans | -121.7 | 173.5 | -153.7 | 44.2 | -32.6 | 0 | 0 | 0 | 115.8 | ||||
| 1169 | E | 30.8 | Very low | 30.3 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | 174.5 | 164.9 | 104.6 | -125.7 | 178.1 | -146.4 | 0 | 0 | 115.7 | |||||
| 1170 | I | 31.4 | Very low | 30.4 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 68% | 0.677 | 76% | 0.757 | S | S | * | * | trans | 81.4 | 117.9 | 149.4 | -76.6 | 167.6 | 0 | 0 | 0 | 122.3 | ||||
| 1171 | L | 29.7 | Very low | 30.2 | Very low | 161 Ų | 161 | 132.7 Ų | 132.7 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | 67.2 | 142.1 | 155.9 | -70.5 | 169.4 | 0 | 0 | 0 | 120.2 | ||||
| 1172 | S | 30.2 | Very low | 30 | Very low | 92 Ų | 92 | 135.9 Ų | 135.9 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | cis | -158.5 | 150.2 | 5.1 | 45.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1173 | S | 30.9 | Very low | 29.9 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 58.4 | 147.4 | 147.3 | 59.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1174 | L | 29.6 | Very low | 30.4 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 89% | 0.89 | 76% | 0.764 | S | S | * | * | cis | -162 | -170.1 | -22 | -120.3 | 158.4 | 0 | 0 | 0 | 108.9 | ||||
| 1175 | S | 29 | Very low | 30.5 | Very low | 92 Ų | 92 | 137 Ų | 137 | 64% | 0.643 | 76% | 0.763 | S | S | * | * | trans | -102.1 | 163.1 | -154.7 | 60.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1176 | S | 29.5 | Very low | 30.5 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 76.5 | 116 | 136.8 | 57.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1177 | S | 27.3 | Very low | 30.9 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | 57.2 | 128.8 | 127 | -54.7 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1178 | S | 27.9 | Very low | 31 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | 29.3 | 127.9 | 141.9 | -50.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1179 | R | 27 | Very low | 31.3 | Very low | 207 Ų | 207 | 137 Ų | 137 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | cis | -170.9 | 158.5 | 47.5 | -164.5 | 176 | -177.3 | 166.4 | 2.4 | 112.1 | ||||
| 1180 | E | 26.8 | Very low | 31.3 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 66% | 0.659 | 76% | 0.755 | S | S | * | * | trans | 7 | 123 | 159.9 | -60.2 | 151.5 | -134.1 | 0 | 0 | 119.7 | ||||
| 1181 | F | 26.2 | Very low | 31.3 | Very low | 192 Ų | 192 | 136.8 Ų | 136.8 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | trans | -158.2 | 157.5 | 135.9 | -118.2 | -79.2 | 0 | 0 | 0 | 114.4 | ||||
| 1182 | R | 26.2 | Very low | 31.5 | Very low | 220 Ų | 220 | 136.5 Ų | 136.5 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | -49.7 | 164.1 | -164.2 | -65.8 | 171.9 | 174.5 | 172.5 | -4.3 | 121.7 | ||||
| 1183 | T | 31.1 | Very low | 31.7 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 83% | 0.828 | 75% | 0.75 | S | S | * | * | trans | -72.5 | 167.4 | 159.8 | 45.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1184 | P | 37 | Very low | 31.7 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | trans | -121.2 | 160.5 | -162.3 | 41.9 | -29.8 | 0 | 0 | 0 | 118.3 | ||||
| 1185 | L | 32.6 | Very low | 31.9 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 86% | 0.864 | 74% | 0.737 | S | S | * | * | trans | 74 | 102.2 | 150.5 | -67.2 | 159.2 | 0 | 0 | 0 | 123.2 | ||||
| 1186 | S | 28.2 | Very low | 32.2 | Very low | 100 Ų | 100 | 144.2 Ų | 144.2 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | 15.7 | 165.8 | 116.7 | -115.1 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1187 | P | 48.6 | Very low | 32.4 | Very low | 109 Ų | 109 | 148.3 Ų | 148.3 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | cis | -150 | 148.5 | 19.6 | 39.2 | -16.7 | 0 | 0 | 0 | 121.7 | ||||
| 1188 | N | 31.7 | Very low | 32.7 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | 46.5 | 174.7 | 132.2 | -80.8 | -5.7 | 0 | 0 | 0 | 124.9 | ||||
| 1189 | P | 45.2 | Very low | 33.1 | Very low | 100 Ų | 100 | 146.1 Ų | 146.1 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | cis | -138.6 | -175.4 | -38.7 | 34.8 | -14.8 | 0 | 0 | 0 | 114.5 | ||||
| 1190 | I | 31.2 | Very low | 33.3 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 74% | 0.738 | 73% | 0.734 | S | S | * | * | trans | 156.5 | 134.3 | 130.9 | -84.3 | 169 | 0 | 0 | 0 | 114.6 | ||||
| 1191 | H | 32.2 | Very low | 33.7 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | trans | 30 | 147.6 | 157.6 | -68 | -49.6 | 0 | 0 | 0 | 122.1 | ||||
| 1192 | H | 34 | Very low | 34.1 | Very low | 154 Ų | 154 | 139.8 Ų | 139.8 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | cis | -169.6 | -172.6 | -7.9 | -119.2 | -16 | 0 | 0 | 0 | 108.7 | ||||
| 1193 | Q | 34.1 | Very low | 34.5 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 65% | 0.645 | 74% | 0.737 | S | S | * | * | cis | -134.2 | -106.4 | 4.5 | -134.7 | -151.6 | 112.2 | 0 | 0 | 116.5 | ||||
| 1194 | R | 31.5 | Very low | 34.4 | Very low | 198 Ų | 198 | 137.4 Ų | 137.4 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | trans | -166.2 | 160.6 | -135.3 | -168.9 | -175.5 | 178.9 | 172.4 | 2.2 | 117.1 | ||||
| 1195 | N | 33.7 | Very low | 34.1 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 60% | 0.604 | 74% | 0.737 | S | S | * | * | trans | 93 | 145.8 | 169.7 | -56.5 | -79.6 | 0 | 0 | 0 | 114.2 | ||||
| 1196 | K | 35.2 | Very low | 33.9 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | cis | -154 | -163.9 | -4.5 | -124.6 | 176.6 | -172.3 | -176.9 | 0 | 113.6 | ||||
| 1197 | F | 33.8 | Very low | 34.4 | Very low | 187 Ų | 187 | 136.5 Ų | 136.5 | 82% | 0.82 | 74% | 0.737 | S | S | * | * | trans | -66 | 162 | -175 | -55.2 | -65.1 | 0 | 0 | 0 | 117.3 | ||||
| 1198 | G | 32.6 | Very low | 33.4 | Very low | 59 Ų | 59 | 136.9 Ų | 136.9 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | cis | 164 | 179.8 | -8.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1199 | T | 36.7 | Very low | 34 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | 65.2 | 135 | 163.5 | 63 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1200 | D | 31.8 | Very low | 33.3 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 74% | 0.738 | 75% | 0.752 | S | S | * | * | cis | -164.5 | 168 | -9.8 | -104.2 | -25.5 | 0 | 0 | 0 | 112.7 | ||||
| 1201 | T | 34.4 | Very low | 33.3 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | 69.7 | 144.6 | 167.3 | 68.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1202 | L | 34.1 | Very low | 33.2 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | cis | -157.1 | 147.3 | -13.9 | -107.8 | 167.8 | 0 | 0 | 0 | 111.2 | ||||
| 1203 | Y | 34.2 | Very low | 33.1 | Very low | 220 Ų | 220 | 141 Ų | 141 | 86% | 0.863 | 77% | 0.772 | S | S | * | * | trans | 59.9 | 147.7 | 165.6 | -84.1 | -76.6 | 0 | 0 | 0 | 122.3 | ||||
| 1204 | A | 29.7 | Very low | 33.4 | Very low | 85 Ų | 85 | 140.1 Ų | 140.1 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | trans | -150.4 | 157.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1205 | S | 31.4 | Very low | 33.4 | Very low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | 166.5 | 150.1 | 140.3 | -77 | 0 | 0 | 0 | 0 | 113 | ||||
| 1206 | C | 26.9 | Very low | 33.4 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | trans | -111.3 | -168.4 | 165.2 | -49.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1207 | P | 38.9 | Very low | 33.3 | Very low | 113 Ų | 113 | 130 Ų | 130 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -137.9 | 173.6 | -6.7 | 42.3 | -25.3 | 0 | 0 | 0 | 116 | ||||
| 1208 | S | 28.9 | Very low | 33.4 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 45 | 157.6 | 143.1 | -62.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 1209 | P | 44.5 | Very low | 33.5 | Very low | 124 Ų | 124 | 132 Ų | 132 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | -123.8 | 173.1 | -157.5 | 43.3 | -29.8 | 0 | 0 | 0 | 116.9 | ||||
| 1210 | A | 28.7 | Very low | 33.3 | Very low | 101 Ų | 101 | 132.3 Ų | 132.3 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -154.2 | 167.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1211 | V | 31.4 | Very low | 33.5 | Very low | 135 Ų | 135 | 131 Ų | 131 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -133.3 | 137.9 | -180 | 167.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1212 | H | 31.1 | Very low | 33.4 | Very low | 194 Ų | 194 | 132.1 Ų | 132.1 | 90% | 0.898 | 79% | 0.785 | S | S | * | * | trans | -166.6 | 169.7 | 140.9 | -119.5 | -98.3 | 0 | 0 | 0 | 113.5 | ||||
| 1213 | R | 31.1 | Very low | 33.4 | Very low | 228 Ų | 228 | 133 Ų | 133 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | -114.8 | -178.3 | -172.9 | -121.2 | 179.6 | -177.5 | 176.9 | 0.4 | 109.8 | ||||
| 1214 | P | 41.7 | Very low | 33.3 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | cis | -140.2 | -176.2 | -8.9 | 41.1 | -22.7 | 0 | 0 | 0 | 116.3 | ||||
| 1215 | G | 30.9 | Very low | 33.5 | Very low | 71 Ų | 71 | 132.9 Ų | 132.9 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | 125.9 | 121 | 133.9 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1216 | A | 33.9 | Very low | 34 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | 59.4 | 149.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1217 | S | 33.4 | Very low | 34.4 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | cis | -168.6 | 158.5 | -11.9 | 49.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1218 | H | 34.3 | Very low | 34.3 | Very low | 169 Ų | 169 | 138.2 Ų | 138.2 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | 68.2 | 148.3 | 171.7 | -70.6 | -82.1 | 0 | 0 | 0 | 116.6 | ||||
| 1219 | D | 34.6 | Very low | 35.1 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | cis | -150.9 | 158.4 | 6.9 | -143.4 | 14.1 | 0 | 0 | 0 | 116.3 | ||||
| 1220 | N | 33 | Very low | 34.8 | Very low | 132 Ų | 132 | 137.5 Ų | 137.5 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | trans | 67.5 | 143.7 | 147.9 | -98.5 | -53.5 | 0 | 0 | 0 | 126.9 | ||||
| 1221 | S | 36.4 | Very low | 35.6 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | 87.9 | 106 | 151.7 | 69.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1222 | N | 32.6 | Very low | 36.4 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | -56 | 154.6 | 168.8 | -51 | -57.9 | 0 | 0 | 0 | 115.6 | ||||
| 1223 | I | 34.1 | Very low | 36.9 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | -176.1 | 135 | 106.3 | -92.2 | 157.3 | 0 | 0 | 0 | 110.6 | |||||
| 1224 | V | 31.1 | Very low | 38.1 | Very low | 138 Ų | 138 | 128.2 Ų | 128.2 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | -143.3 | 130.5 | 164.3 | 174.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1225 | I | 34.2 | Very low | 38.2 | Very low | 164 Ų | 164 | 132 Ų | 132 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | -157.7 | 145.6 | 155.7 | -108.5 | 154.7 | 0 | 0 | 0 | 109.2 | ||||
| 1226 | P | 41.5 | Very low | 38.5 | Very low | 106 Ų | 106 | 135.1 Ų | 135.1 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | trans | -117.7 | 172.7 | -161.5 | 42 | -32.3 | 0 | 0 | 0 | 115.2 | ||||
| 1227 | R | 36.9 | Very low | 38.8 | Very low | 254 Ų | 254 | 136.8 Ų | 136.8 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | trans | -165.1 | 151.2 | 152.6 | -105.1 | 152.7 | -160.3 | -131.9 | 3.8 | 113.3 | ||||
| 1228 | S | 36.6 | Very low | 39.1 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -106.1 | -176.6 | 169 | 56.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1229 | P | 44.2 | Very low | 39.4 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | cis | -135 | -159.1 | 4 | 42.7 | -22.2 | 0 | 0 | 0 | 115.1 | ||||
| 1230 | S | 39.2 | Very low | 39.7 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | trans | -59 | 160.8 | 178.4 | -28.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1231 | P | 45.9 | Very low | 40.1 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | -148.4 | 177.6 | 70.4 | 37.3 | -16.1 | 0 | 0 | 0 | 117.3 | |||||
| 1232 | P | 47.4 | Very low | 40.4 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 83% | 0.832 | S | S | * | * | trans | -93.8 | -160 | 169.5 | 42.9 | -38.3 | 0 | 0 | 0 | 110.5 | ||||
| 1233 | P | 42.8 | Very low | 41 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 83% | 0.834 | S | S | * | * | cis | -126.7 | -142.2 | -6.1 | 45.8 | -27.1 | 0 | 0 | 0 | 110.2 | ||||
| 1234 | P | 55.1 | Low | 41.6 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 73% | 0.734 | 84% | 0.835 | S | S | * | * | cis | -131.5 | 162.3 | -22.8 | 38.2 | -21.8 | 0 | 0 | 0 | 116.2 | ||||
| 1235 | S | 43.8 | Very low | 42.5 | Very low | 200 Ų | 200 | 138.5 Ų | 138.5 | 100% | 1.399 | 84% | 0.835 | S | S | * | * | trans | -167.6 | 0 | 143.8 | -72.8 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 1,235 of 1,235 residues in 883.5 ms
(Link to these results)