| 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 | 42.6 | Very low | 55.6 | Low | 211 Ų | 211 | 111.5 Ų | 111.5 | 100% | 1.039 | 61% | 0.607 | S | S | * | * | 0 | -38.3 | 0 | -73.5 | -163.8 | -126.4 | 0 | 0 | 113.2 | L3 K4 V5 | M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.39Å; M1-K4 PolarHBondContact O-N 2.67Å; M1-V5 PolarHBondContact O-N 3.22Å | |||
| 2 | G | 61.8 | Low | 55 | Low | 53 Ų | 53 | 106.8 Ų | 106.8 | 55% | 0.546 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -54.6 | -40.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K4 V5 V6 | G2-K4 PolarHBondContact O-N 3.16Å; G2-V5 PolarHBondContact O-N 3.04Å; G2-V6 WeakPolarHBondContact O-CG2 3.49Å; G2-V6 PolarHBondContact O-N 3.27Å |
| 3 | L | 44.5 | Very low | 55 | Low | 137 Ų | 137 | 111.1 Ų | 111.1 | 72% | 0.717 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.1 | -34.3 | 179.7 | -152.9 | 78.4 | 0 | 0 | 0 | 113.6 | M1 I7 | M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.39Å; L3-I7 HydrophobicContact CD2-CD1 4.49Å; L3-I7 HydrophobicContact CG-CD1 4.26Å; L3-I7 WeakPolarHBondContact O-CB 3.46Å; L3-I7 WeakPolarHBondContact O-CD1 3.35Å; L3-I7 WeakPolarHBondContact O-CG1 3.21Å; L3-I7 PolarHBondContact O-N 2.83Å |
| 4 | K | 48.1 | Very low | 54.3 | Low | 165 Ų | 165 | 107.1 Ų | 107.1 | 72% | 0.717 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.5 | -35 | 176.3 | -77.9 | -172.7 | 176.7 | -177.6 | 0 | 112 | M1 G2 L8 | M1-K4 PolarHBondContact O-N 2.67Å; G2-K4 PolarHBondContact O-N 3.16Å; K4-L8 WeakPolarHBondContact O-CB 3.43Å; K4-L8 PolarHBondContact O-N 2.79Å |
| 5 | V | 56.7 | Low | 53.4 | Low | 90 Ų | 90 | 108.5 Ų | 108.5 | 55% | 0.545 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.4 | -41.8 | 175.6 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | M1 G2 L8 T9 | M1-V5 PolarHBondContact O-N 3.22Å; G2-V5 PolarHBondContact O-N 3.04Å; V5-L8 PolarHBondContact O-N 2.86Å; V5-T9 PolarHBondContact O-N 3.41Å; V5-T9 PolarHBondContact O-OG1 3.01Å |
| 6 | V | 61.7 | Low | 52.8 | Low | 75 Ų | 75 | 112.3 Ų | 112.3 | 46% | 0.455 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.6 | -40.4 | 175.7 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | G2 T9 L10 | G2-V6 WeakPolarHBondContact O-CG2 3.49Å; G2-V6 PolarHBondContact O-N 3.27Å; V6-T9 WeakPolarHBondContact CA-OG1 3.13Å; V6-T9 PolarHBondContact O-N 2.83Å; V6-T9 PolarHBondContact O-OG1 3.44Å; V6-T9 VanDerWaalsContact O-OG1 3.14Å; V6-L10 HydrophobicContact CG1-CD1 3.77Å; V6-L10 HydrophobicContact CG1-CG 4.35Å; V6-L10 VanDerWaalsContact O-CB 3.25Å; V6-L10 WeakPolarHBondContact O-CB 3.45Å; V6-L10 VanDerWaalsContact O-CG 3.24Å; V6-L10 WeakPolarHBondContact O-CG 3.27Å; V6-L10 PolarHBondContact O-N 3.46Å |
| 7 | I | 65.2 | Low | 52.3 | Low | 89 Ų | 89 | 108.9 Ų | 108.9 | 46% | 0.456 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.2 | -38.9 | 175.5 | -68.8 | 165.4 | 0 | 0 | 0 | 111.1 | L3 L11 | L3-I7 HydrophobicContact CD2-CD1 4.49Å; L3-I7 HydrophobicContact CG-CD1 4.26Å; L3-I7 WeakPolarHBondContact O-CB 3.46Å; L3-I7 WeakPolarHBondContact O-CD1 3.35Å; L3-I7 WeakPolarHBondContact O-CG1 3.21Å; L3-I7 PolarHBondContact O-N 2.83Å; I7-L11 HydrophobicContact CG2-CD1 3.79Å; I7-L11 VanDerWaalsContact O-CB 3.25Å; I7-L11 WeakPolarHBondContact O-CB 3.25Å; I7-L11 WeakPolarHBondContact O-CD1 3.44Å; I7-L11 WeakPolarHBondContact O-CG 3.33Å; I7-L11 PolarHBondContact O-N 3.5Å |
| 8 | L | 59.5 | Low | 51.5 | Low | 119 Ų | 119 | 105.5 Ų | 105.5 | 62% | 0.623 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.3 | -38.4 | 175.8 | -90.5 | 155.2 | 0 | 0 | 0 | 112.8 | K4 V5 A12 | K4-L8 WeakPolarHBondContact O-CB 3.43Å; K4-L8 PolarHBondContact O-N 2.79Å; V5-L8 PolarHBondContact O-N 2.86Å; L8-A12 VanDerWaalsContact O-CB 3.24Å; L8-A12 WeakPolarHBondContact O-CB 3.39Å; L8-A12 PolarHBondContact O-N 3.42Å |
| 9 | T | 57.5 | Low | 50.9 | Low | 77 Ų | 77 | 101.6 Ų | 101.6 | 47% | 0.472 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.2 | -35.9 | 174.5 | 44.8 | 0 | 0 | 0 | 0 | 112.1 | V5 V6 A12 F13 | V5-T9 PolarHBondContact O-N 3.41Å; V5-T9 PolarHBondContact O-OG1 3.01Å; V6-T9 WeakPolarHBondContact CA-OG1 3.13Å; V6-T9 PolarHBondContact O-N 2.83Å; V6-T9 PolarHBondContact O-OG1 3.44Å; V6-T9 VanDerWaalsContact O-OG1 3.14Å; T9-A12 PolarHBondContact O-N 2.96Å; T9-F13 WeakPolarHBondContact O-CB 3.44Å; T9-F13 PolarHBondContact O-N 2.89Å |
| 10 | L | 58 | Low | 50.4 | Low | 112 Ų | 112 | 105.2 Ų | 105.2 | 59% | 0.586 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.9 | -37.8 | 172.4 | -74.7 | 169.8 | 0 | 0 | 0 | 112.1 | V6 F13 A14 | V6-L10 HydrophobicContact CG1-CD1 3.77Å; V6-L10 HydrophobicContact CG1-CG 4.35Å; V6-L10 VanDerWaalsContact O-CB 3.25Å; V6-L10 WeakPolarHBondContact O-CB 3.45Å; V6-L10 VanDerWaalsContact O-CG 3.24Å; V6-L10 WeakPolarHBondContact O-CG 3.27Å; V6-L10 PolarHBondContact O-N 3.46Å; L10-F13 PolarHBondContact O-N 2.78Å; L10-A14 WeakPolarHBondContact O-CB 3.24Å; L10-A14 PolarHBondContact O-N 2.86Å |
| 11 | L | 56 | Low | 49.8 | Very low | 99 Ų | 99 | 106 Ų | 106 | 52% | 0.518 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67 | -39.2 | 171.6 | -83.7 | 161.8 | 0 | 0 | 0 | 111.6 | I7 A14 L15 | I7-L11 HydrophobicContact CG2-CD1 3.79Å; I7-L11 VanDerWaalsContact O-CB 3.25Å; I7-L11 WeakPolarHBondContact O-CB 3.25Å; I7-L11 WeakPolarHBondContact O-CD1 3.44Å; I7-L11 WeakPolarHBondContact O-CG 3.33Å; I7-L11 PolarHBondContact O-N 3.5Å; L11-A14 PolarHBondContact O-N 3.35Å; L11-L15 VanDerWaalsContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.19Å; L11-L15 WeakPolarHBondContact O-CD1 3.02Å; L11-L15 WeakPolarHBondContact O-CG 3.28Å; L11-L15 PolarHBondContact O-N 2.98Å |
| 12 | A | 48.7 | Very low | 49.7 | Very low | 54 Ų | 54 | 102.7 Ų | 102.7 | 45% | 0.446 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.5 | -42.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L8 T9 L15 Y16 | L8-A12 VanDerWaalsContact O-CB 3.24Å; L8-A12 WeakPolarHBondContact O-CB 3.39Å; L8-A12 PolarHBondContact O-N 3.42Å; T9-A12 PolarHBondContact O-N 2.96Å; A12-L15 PolarHBondContact O-N 3.14Å; A12-Y16 WeakPolarHBondContact O-CB 3.48Å; A12-Y16 PolarHBondContact O-N 3.31Å |
| 13 | F | 54.2 | Low | 48.6 | Very low | 163 Ų | 163 | 105 Ų | 105 | 72% | 0.715 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.8 | -38.6 | 173.7 | -111.6 | -89.6 | 0 | 0 | 0 | 112.3 | T9 L10 Y16 A17 | T9-F13 WeakPolarHBondContact O-CB 3.44Å; T9-F13 PolarHBondContact O-N 2.89Å; L10-F13 PolarHBondContact O-N 2.78Å; F13-Y16 PolarHBondContact O-N 3.38Å; F13-A17 WeakPolarHBondContact O-CB 3.24Å; F13-A17 PolarHBondContact O-N 3.02Å |
| 14 | A | 45.7 | Very low | 48.2 | Very low | 56 Ų | 56 | 107.4 Ų | 107.4 | 46% | 0.463 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.7 | -35.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L10 L11 A18 | L10-A14 WeakPolarHBondContact O-CB 3.24Å; L10-A14 PolarHBondContact O-N 2.86Å; L11-A14 PolarHBondContact O-N 3.35Å; A14-A18 WeakPolarHBondContact O-CA 3.16Å; A14-A18 WeakPolarHBondContact O-CB 3.34Å; A14-A18 PolarHBondContact O-N 2.87Å |
| 15 | L | 40.9 | Very low | 47.8 | Very low | 128 Ų | 128 | 103.6 Ų | 103.6 | 67% | 0.67 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.3 | -35.5 | 172.8 | -73 | 165.6 | 0 | 0 | 0 | 111.9 | L11 A12 G19 | L11-L15 VanDerWaalsContact O-CB 3.28Å; L11-L15 WeakPolarHBondContact O-CB 3.19Å; L11-L15 WeakPolarHBondContact O-CD1 3.02Å; L11-L15 WeakPolarHBondContact O-CG 3.28Å; L11-L15 PolarHBondContact O-N 2.98Å; A12-L15 PolarHBondContact O-N 3.14Å; L15-G19 PolarHBondContact O-N 3.32Å |
| 16 | Y | 44 | Very low | 47 | Very low | 169 Ų | 169 | 106.5 Ų | 106.5 | 66% | 0.663 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72 | -37.3 | 174.6 | -132.3 | -97 | 0 | 0 | 0 | 112.2 | A12 F13 R20 | A12-Y16 WeakPolarHBondContact O-CB 3.48Å; A12-Y16 PolarHBondContact O-N 3.31Å; F13-Y16 PolarHBondContact O-N 3.38Å; Y16-R20 PolarHBondContact O-N 2.86Å |
| 17 | A | 43.3 | Very low | 46 | Very low | 55 Ų | 55 | 109.6 Ų | 109.6 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -74.4 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F13 G19 R20 H21 | F13-A17 WeakPolarHBondContact O-CB 3.24Å; F13-A17 PolarHBondContact O-N 3.02Å; A17-G19 VanDerWaalsContact C-N 3.31Å; A17-G19 PolarHBondContact O-N 2.95Å; A17-R20 PolarHBondContact O-N 3.28Å; A17-H21 WeakPolarHBondContact O-CB 3.25Å; A17-H21 PolarHBondContact O-N 3.05Å |
| 18 | A | 38.4 | Very low | 44.7 | Very low | 47 Ų | 47 | 110.7 Ų | 110.7 | 39% | 0.388 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.9 | -31.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A14 Q22 | A14-A18 WeakPolarHBondContact O-CA 3.16Å; A14-A18 WeakPolarHBondContact O-CB 3.34Å; A14-A18 PolarHBondContact O-N 2.87Å; A18-Q22 VanDerWaalsContact O-CB 3.25Å; A18-Q22 WeakPolarHBondContact O-CB 3.25Å; A18-Q22 PolarHBondContact O-N 3.25Å |
| 19 | G | 39.9 | Very low | 43.6 | Very low | 31 Ų | 31 | 114.8 Ų | 114.8 | 32% | 0.32 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -66.2 | -41.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L15 A17 Q23 | L15-G19 PolarHBondContact O-N 3.32Å; A17-G19 VanDerWaalsContact C-N 3.31Å; A17-G19 PolarHBondContact O-N 2.95Å; G19-Q23 PolarHBondContact O-N 3.03Å |
| 20 | R | 41.6 | Very low | 42.8 | Very low | 173 Ų | 173 | 116.4 Ų | 116.4 | 65% | 0.653 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -74 | -32 | 173.8 | -76.9 | -172.9 | -173.9 | 178.8 | 2.1 | 113.2 | Y16 A17 R24 | Y16-R20 PolarHBondContact O-N 2.86Å; A17-R20 PolarHBondContact O-N 3.28Å; R20-R24 WeakPolarHBondContact O-CA 3.37Å; R20-R24 WeakPolarHBondContact O-CB 3.24Å; R20-R24 PolarHBondContact O-N 3.15Å |
| 21 | H | 36.8 | Very low | 41.8 | Very low | 124 Ų | 124 | 116 Ų | 116 | 57% | 0.574 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -77.8 | -27.1 | 173.6 | -120.7 | -64 | 0 | 0 | 0 | 112.8 | A17 R24 L25 | A17-H21 WeakPolarHBondContact O-CB 3.25Å; A17-H21 PolarHBondContact O-N 3.05Å; H21-R24 CarbonylContact O-C 3.57Å; H21-R24 VanDerWaalsContact O-CA 3.32Å; H21-R24 WeakPolarHBondContact O-CA 3.42Å; H21-L25 VanDerWaalsContact O-CB 3.27Å; H21-L25 WeakPolarHBondContact O-CB 3.33Å; H21-L25 WeakPolarHBondContact O-CD1 3.38Å; H21-L25 WeakPolarHBondContact O-CG 3.29Å; H21-L25 PolarHBondContact O-N 3.11Å |
| 22 | Q | 40.4 | Very low | 41.2 | Very low | 140 Ų | 140 | 114.7 Ų | 114.7 | 65% | 0.654 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -74.5 | -32.7 | 167.1 | -89.7 | -176.9 | -42.6 | 0 | 0 | 112 | A18 L25 K26 | A18-Q22 VanDerWaalsContact O-CB 3.25Å; A18-Q22 WeakPolarHBondContact O-CB 3.25Å; A18-Q22 PolarHBondContact O-N 3.25Å; Q22-L25 CarbonylContact O-C 3.58Å; Q22-L25 PolarHBondContact O-N 2.82Å; Q22-K26 WeakPolarHBondContact O-CB 3.38Å; Q22-K26 PolarHBondContact O-N 3.17Å |
| 23 | Q | 39.7 | Very low | 40.7 | Very low | 102 Ų | 102 | 117.3 Ų | 117.3 | 48% | 0.477 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.6 | -53.5 | 171 | -85.2 | 175.5 | -39.6 | 0 | 0 | 112.1 | G19 L25 K26 L27 | G19-Q23 PolarHBondContact O-N 3.03Å; Q23-L25 PolarHBondContact O-N 3.41Å; Q23-K26 PolarHBondContact O-N 2.79Å; Q23-L27 WeakPolarHBondContact O-CB 3.38Å; Q23-L27 PolarHBondContact O-N 3.07Å |
| 24 | R | 36.6 | Very low | 40.5 | Very low | 188 Ų | 188 | 113.7 Ų | 113.7 | 71% | 0.709 | 56% | 0.562 | S | S | * | * | H | α-helix | 8.7 | -87.5 | 128.8 | -62.9 | 172.7 | 174.2 | 179.7 | -3.4 | 119.3 | R20 H21 L28 | R20-R24 WeakPolarHBondContact O-CA 3.37Å; R20-R24 WeakPolarHBondContact O-CB 3.24Å; R20-R24 PolarHBondContact O-N 3.15Å; H21-R24 CarbonylContact O-C 3.57Å; H21-R24 VanDerWaalsContact O-CA 3.32Å; H21-R24 WeakPolarHBondContact O-CA 3.42Å; R24-L28 WeakPolarHBondContact O-CG 3.05Å; R24-L28 PolarHBondContact O-N 2.97Å | |
| 25 | L | 39 | Very low | 40.6 | Very low | 85 Ų | 85 | 117.9 Ų | 117.9 | 45% | 0.445 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -81.1 | -16.9 | -174.8 | -84 | 150.5 | 0 | 0 | 0 | 113.9 | H21 Q22 Q23 L28 R29 | H21-L25 VanDerWaalsContact O-CB 3.27Å; H21-L25 WeakPolarHBondContact O-CB 3.33Å; H21-L25 WeakPolarHBondContact O-CD1 3.38Å; H21-L25 WeakPolarHBondContact O-CG 3.29Å; H21-L25 PolarHBondContact O-N 3.11Å; Q22-L25 CarbonylContact O-C 3.58Å; Q22-L25 PolarHBondContact O-N 2.82Å; Q23-L25 PolarHBondContact O-N 3.41Å; L25-L28 CarbonylContact O-C 3.6Å; L25-R29 VanDerWaalsContact O-CB 3.24Å; L25-R29 WeakPolarHBondContact O-CB 3.14Å; L25-R29 WeakPolarHBondContact O-CG 3.3Å; L25-R29 PolarHBondContact O-N 3.42Å |
| 26 | K | 40.9 | Very low | 41.4 | Very low | 150 Ų | 150 | 117.9 Ų | 117.9 | 65% | 0.652 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -80.8 | -35 | 172.8 | -141.6 | 175.5 | -174.2 | -175.1 | 0 | 110.7 | Q22 Q23 L28 R29 D30 | Q22-K26 WeakPolarHBondContact O-CB 3.38Å; Q22-K26 PolarHBondContact O-N 3.17Å; Q23-K26 PolarHBondContact O-N 2.79Å; K26-L28 VanDerWaalsContact C-N 3.28Å; K26-R29 PolarHBondContact O-N 3.25Å; K26-D30 PolarHBondContact O-N 3.01Å |
| 27 | L | 40.3 | Very low | 42.7 | Very low | 140 Ų | 140 | 110.3 Ų | 110.3 | 73% | 0.733 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.7 | -28.3 | 165.9 | -94.2 | 134.5 | 0 | 0 | 0 | 112.6 | Q23 | Q23-L27 WeakPolarHBondContact O-CB 3.38Å; Q23-L27 PolarHBondContact O-N 3.07Å |
| 28 | L | 36.5 | Very low | 43.9 | Very low | 112 Ų | 112 | 116.2 Ų | 116.2 | 59% | 0.586 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -88.7 | -18.9 | 173.9 | -71 | 161.5 | 0 | 0 | 0 | 114.1 | R24 L25 K26 T31 | R24-L28 WeakPolarHBondContact O-CG 3.05Å; R24-L28 PolarHBondContact O-N 2.97Å; L25-L28 CarbonylContact O-C 3.6Å; K26-L28 VanDerWaalsContact C-N 3.28Å; L28-T31 WeakPolarHBondContact O-CG2 3.39Å; L28-T31 PolarHBondContact O-OG1 2.97Å |
| 29 | R | 38.1 | Very low | 45.8 | Very low | 206 Ų | 206 | 114.5 Ų | 114.5 | 78% | 0.777 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -88.8 | -13.1 | 176.4 | -92.8 | -176.2 | -170.4 | 169.1 | 4.2 | 115.1 | L25 K26 T31 | L25-R29 VanDerWaalsContact O-CB 3.24Å; L25-R29 WeakPolarHBondContact O-CB 3.14Å; L25-R29 WeakPolarHBondContact O-CG 3.3Å; L25-R29 PolarHBondContact O-N 3.42Å; K26-R29 PolarHBondContact O-N 3.25Å; R29-T31 PolarHBondContact O-N 2.84Å |
| 30 | D | 39.6 | Very low | 47.8 | Very low | 110 Ų | 110 | 114.9 Ų | 114.9 | 59% | 0.588 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 17.9 | 168.3 | -85.1 | -8.3 | 0 | 0 | 0 | 112.7 | K26 V32 K322 | K26-D30 PolarHBondContact O-N 3.01Å; D30-V32 PolarHBondContact O-N 3.3Å; D30-K322 PolarHBondContact O-NZ 3.23Å |
| 31 | T | 36.4 | Very low | 49.9 | Very low | 104 Ų | 104 | 111 Ų | 111 | 64% | 0.638 | 53% | 0.53 | S | S | * | . | trans | -66.7 | 66.8 | 157.8 | 43.2 | 0 | 0 | 0 | 0 | 109.4 | L28 R29 N33 | L28-T31 WeakPolarHBondContact O-CG2 3.39Å; L28-T31 PolarHBondContact O-OG1 2.97Å; R29-T31 PolarHBondContact O-N 2.84Å; T31-N33 PolarHBondContact O-N 2.81Å; T31-N33 VanDerWaalsContact O-N 3.16Å | ||
| 32 | V | 43.3 | Very low | 52.4 | Low | 71 Ų | 71 | 105.7 Ų | 105.7 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | trans | -53.3 | 122.8 | 157.2 | 177.8 | 0 | 0 | 0 | 0 | 105.8 | D30 Y34 V324 | D30-V32 PolarHBondContact O-N 3.3Å; V32-Y34 PolarHBondContact O-N 2.82Å; V32-V324 HydrophobicContact CG1-CG1 4.12Å | ||
| 33 | N | 39.6 | Very low | 54.7 | Low | 109 Ų | 109 | 104.1 Ų | 104.1 | 58% | 0.583 | 49% | 0.493 | S | S | * | . | trans | -47.4 | 96 | -170 | -150.5 | 11.1 | 0 | 0 | 0 | 111.4 | T31 Q35 | T31-N33 PolarHBondContact O-N 2.81Å; T31-N33 VanDerWaalsContact O-N 3.16Å; N33-Q35 PolarHBondContact ND2-OE1 3.48Å; N33-Q35 PolarHBondContact O-N 2.83Å; N33-Q35 WeakPolarHBondContact OD1-CG 3.48Å; N33-Q35 PolarHBondContact OD1-OE1 2.99Å | ||
| 34 | Y | 49 | Very low | 56.9 | Low | 87 Ų | 87 | 102.4 Ų | 102.4 | 34% | 0.341 | 49% | 0.487 | S | S | . | . | trans | -68 | 5.4 | 178.5 | -106.7 | -85.1 | 0 | 0 | 0 | 112.8 | V32 N36 V37 | V32-Y34 PolarHBondContact O-N 2.82Å; Y34-N36 PolarHBondContact O-N 2.85Å; Y34-V37 PolarHBondContact O-N 3.18Å | ||
| 35 | Q | 49.2 | Very low | 59.1 | Low | 145 Ų | 145 | 97.9 Ų | 97.9 | 68% | 0.678 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -8.7 | -161.3 | -81.1 | -177.7 | -21.3 | 0 | 0 | 115.6 | N33 | N33-Q35 PolarHBondContact ND2-OE1 3.48Å; N33-Q35 PolarHBondContact O-N 2.83Å; N33-Q35 WeakPolarHBondContact OD1-CG 3.48Å; N33-Q35 PolarHBondContact OD1-OE1 2.99Å |
| 36 | N | 57.1 | Low | 61.3 | Low | 127 Ų | 127 | 94.4 Ų | 94.4 | 68% | 0.679 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 7.4 | -175.3 | -70.4 | -0.6 | 0 | 0 | 0 | 116.2 | Y34 S326 | Y34-N36 PolarHBondContact O-N 2.85Å; N36-S326 PolarHBondContact O-OG 2.8Å |
| 37 | V | 70.6 | Confident | 63.5 | Low | 10 Ų | 10 | 90.6 Ų | 90.6 | 6% | 0.061 | 44% | 0.442 | C | S | . | . | trans | -106 | 98.6 | 176.5 | -172.9 | 0 | 0 | 0 | 0 | 110.5 | Y34 E39 R284 L291 L323 | Y34-V37 PolarHBondContact O-N 3.18Å; V37-E39 WeakPolarHBondContact CG1-OE2 3.47Å; V37-R284 PolarHBondContact O-NH1 2.7Å; V37-L291 HydrophobicContact CG1-CD2 3.76Å; V37-L323 HydrophobicContact CG1-CD2 3.88Å; V37-L323 HydrophobicContact CG2-CD2 4.27Å | ||
| 38 | Q | 69.9 | Low | 66 | Low | 180 Ų | 180 | 84 Ų | 84 | 84% | 0.841 | 41% | 0.407 | S | S | * | . | trans | -97.1 | -10.2 | 179.4 | -66.4 | -167.9 | -13.3 | 0 | 0 | 113.2 | ||||
| 39 | E | 78.1 | Confident | 68.6 | Low | 10 Ų | 10 | 81.2 Ų | 81.2 | 5% | 0.047 | 39% | 0.39 | C | S | . | . | trans | -76.8 | 147 | -175.5 | -51.6 | 91.9 | 145.1 | 0 | 0 | 112.3 | V37 R43 Q46 L291 S326 | V37-E39 WeakPolarHBondContact CG1-OE2 3.47Å; E39-R43 HydrophobicContact CG-CG 4.35Å; E39-Q46 PolarHBondContact OE1-NE2 2.92Å; E39-L291 VanDerWaalsContact O-CD2 3.31Å; E39-L291 WeakPolarHBondContact O-CD2 3.45Å; E39-S326 WeakPolarHBondContact OE1-CB 3.37Å; E39-S326 PolarHBondContact OE1-OG 2.93Å; E39-S326 VanDerWaalsContact OE1-OG 3.11Å; E39-S326 PolarHBondContact OE2-OG 3.05Å | ||
| 40 | S | 80.2 | Confident | 71.4 | Confident | 40 Ų | 40 | 71.4 Ų | 71.4 | 28% | 0.28 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -103.3 | -2 | 172.4 | 53.6 | 0 | 0 | 0 | 0 | 113.2 | F290 L291 | S40-F290 CarbonylContact O-C 3.38Å; S40-F290 WeakPolarHBondContact O-CA 3.5Å; S40-L291 PolarHBondContact O-N 2.7Å; S40-L291 VanDerWaalsContact O-N 3.09Å |
| 41 | Y | 86.4 | Confident | 74 | Confident | 91 Ų | 91 | 71.4 Ų | 71.4 | 36% | 0.357 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -155.9 | 165.6 | 177.8 | 60.9 | -87.7 | 0 | 0 | 0 | 111.2 | R43 Y48 K289 | Y41-R43 HydrophobicContact CD2-CG 4.37Å; Y41-R43 HydrophobicContact CE2-CG 3.94Å; Y41-R43 PolarHBondContact O-N 2.82Å; Y41-Y48 PolarHBondContact O-OH 3.32Å; Y41-K289 HydrophobicContact CG-CB 4.48Å |
| 42 | F | 89.6 | Confident | 76.9 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 5% | 0.053 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 122.1 | 176.6 | -64.2 | -71.4 | 0 | 0 | 0 | 112.3 | Y48 F50 L78 K80 F86 F164 L291 I292 | F42-Y48 WeakPolarHBondContact CA-OH 3.47Å; F42-Y48 HydrophobicContact CB-CE2 4.32Å; F42-Y48 HydrophobicContact CD1-CD1 4.24Å; F42-Y48 AromaticContact CD1-CD2 3.75Å; F42-Y48 HydrophobicContact CD1-CD2 3.75Å; F42-Y48 HydrophobicContact CD1-CE1 4.13Å; F42-Y48 AromaticContact CD1-CE2 3.62Å; F42-Y48 HydrophobicContact CD1-CE2 3.62Å; F42-Y48 HydrophobicContact CD1-CG 4.07Å; F42-Y48 AromaticContact CD1-CZ 3.83Å; F42-Y48 HydrophobicContact CE1-CD1 4.34Å; F42-Y48 HydrophobicContact CE1-CD2 4.26Å; F42-Y48 HydrophobicContact CE1-CG 4.17Å; F42-Y48 HydrophobicContact CG-CE2 4.47Å; F42-F50 HydrophobicContact CE1-CE2 4.42Å; F42-F50 HydrophobicContact CE1-CZ 4.04Å; F42-F50 HydrophobicContact CZ-CZ 4.23Å; F42-L78 HydrophobicContact CD1-CD2 3.93Å; F42-L78 HydrophobicContact CE1-CD2 3.51Å; F42-L78 HydrophobicContact CZ-CD2 4Å; F42-K80 HydrophobicContact CB-CD 4.32Å; F42-K80 WeakPolarHBondContact O-CD 3.28Å; F42-F86 HydrophobicContact CB-CE1 3.87Å; F42-F86 HydrophobicContact CB-CZ 4.17Å; F42-F86 HydrophobicContact CD2-CE1 4.38Å; F42-F86 HydrophobicContact CG-CE1 4.05Å; F42-F164 HydrophobicContact CZ-CE1 4.46Å; F42-L291 HydrophobicContact CD1-CD1 3.63Å; F42-L291 HydrophobicContact CE1-CD1 3.49Å; F42-L291 VanDerWaalsContact CE1-CD1 3.49Å; F42-L291 HydrophobicContact CE2-CD1 4.41Å; F42-L291 HydrophobicContact CG-CD1 4.15Å; F42-L291 HydrophobicContact CZ-CD1 3.93Å; F42-I292 HydrophobicContact CE2-CG1 4.37Å; F42-I292 HydrophobicContact CZ-CB 4.3Å; F42-I292 HydrophobicContact CZ-CG1 4.44Å |
| 43 | R | 88.1 | Confident | 79.4 | Confident | 107 Ų | 107 | 64.1 Ų | 64.1 | 40% | 0.404 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -100.5 | 145.2 | -179.4 | -66.3 | -174.5 | 179.9 | 178.6 | 1.4 | 112 | E39 Y41 Q46 Y48 K80 | E39-R43 HydrophobicContact CG-CG 4.35Å; Y41-R43 HydrophobicContact CD2-CG 4.37Å; Y41-R43 HydrophobicContact CE2-CG 3.94Å; Y41-R43 PolarHBondContact O-N 2.82Å; R43-Q46 HydrophobicContact CB-CB 3.93Å; R43-Q46 VanDerWaalsContact O-CB 3.26Å; R43-Q46 WeakPolarHBondContact O-CB 3.45Å; R43-Q46 PolarHBondContact O-N 2.91Å; R43-Y48 PolarHBondContact N-OH 2.84Å; R43-K80 WeakPolarHBondContact O-CB 3.4Å |
| 44 | I | 86.6 | Confident | 82 | Confident | 66 Ų | 66 | 59 Ų | 59 | 34% | 0.338 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -62.6 | 140.9 | 175.1 | -62.5 | 172.9 | 0 | 0 | 0 | 109.4 | Q46 K80 E83 | I44-Q46 PolarHBondContact O-N 3.48Å; I44-Q46 VanDerWaalsContact O-N 3.16Å; I44-K80 CarbonylContact C-O 3.57Å; I44-K80 WeakPolarHBondContact CA-O 3.36Å; I44-K80 HydrophobicContact CG1-CD 4Å; I44-K80 HydrophobicContact CG1-CG 4.16Å; I44-E83 HydrophobicContact CD1-CG 4.15Å |
| 45 | N | 81.8 | Confident | 84.2 | Confident | 93 Ų | 93 | 55.3 Ų | 55.3 | 50% | 0.497 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 20.6 | -177.3 | -58.1 | -31.2 | 0 | 0 | 0 | 114.3 | K80 S329 | N45-K80 PolarHBondContact N-O 3.33Å; N45-S329 VanDerWaalsContact O-CB 3.29Å; N45-S329 WeakPolarHBondContact O-CB 3.36Å; N45-S329 PolarHBondContact O-N 2.84Å; N45-S329 PolarHBondContact O-OG 2.87Å; N45-S329 VanDerWaalsContact O-OG 3.07Å |
| 46 | Q | 85.2 | Confident | 86.3 | Confident | 13 Ų | 13 | 48.6 Ų | 48.6 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 136.3 | 171.4 | -162.1 | 72.1 | -1.2 | 0 | 0 | 109.9 | E39 R43 I44 Y48 V79 Q327 | E39-Q46 PolarHBondContact OE1-NE2 2.92Å; R43-Q46 HydrophobicContact CB-CB 3.93Å; R43-Q46 VanDerWaalsContact O-CB 3.26Å; R43-Q46 WeakPolarHBondContact O-CB 3.45Å; R43-Q46 PolarHBondContact O-N 2.91Å; I44-Q46 PolarHBondContact O-N 3.48Å; I44-Q46 VanDerWaalsContact O-N 3.16Å; Q46-Y48 HydrophobicContact CB-CD2 4.47Å; Q46-Y48 HydrophobicContact CB-CE2 3.63Å; Q46-Y48 HydrophobicContact CG-CE1 4.16Å; Q46-Y48 HydrophobicContact CG-CE2 3.79Å; Q46-V79 WeakPolarHBondContact O-CA 3.4Å; Q46-Q327 VanDerWaalsContact CD-C 3.45Å; Q46-Q327 VanDerWaalsContact CD-O 3.32Å; Q46-Q327 VanDerWaalsContact NE2-C 3.28Å; Q46-Q327 PolarHBondContact OE1-O 2.82Å |
| 47 | K | 88 | Confident | 88.1 | Confident | 70 Ų | 70 | 43.3 Ų | 43.3 | 30% | 0.304 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 116.4 | 177.2 | -172.5 | 178.2 | -174.2 | 175.3 | 0 | 110.2 | T77 V79 S326 Q327 | K47-T77 HydrophobicContact CD-CG2 4.09Å; K47-T77 HydrophobicContact CG-CG2 3.7Å; K47-V79 HydrophobicContact CB-CG2 3.97Å; K47-V79 HydrophobicContact CG-CG2 3.94Å; K47-S326 WeakPolarHBondContact O-CA 3.2Å; K47-Q327 PolarHBondContact N-O 2.82Å; K47-Q327 PolarHBondContact O-N 2.82Å |
| 48 | Y | 92 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 129.3 | 176.9 | -59.6 | -88.3 | 0 | 0 | 0 | 110 | Y41 F42 R43 Q46 T77 L78 L291 L323 | Y41-Y48 PolarHBondContact O-OH 3.32Å; F42-Y48 WeakPolarHBondContact CA-OH 3.47Å; F42-Y48 HydrophobicContact CB-CE2 4.32Å; F42-Y48 HydrophobicContact CD1-CD1 4.24Å; F42-Y48 AromaticContact CD1-CD2 3.75Å; F42-Y48 HydrophobicContact CD1-CD2 3.75Å; F42-Y48 HydrophobicContact CD1-CE1 4.13Å; F42-Y48 AromaticContact CD1-CE2 3.62Å; F42-Y48 HydrophobicContact CD1-CE2 3.62Å; F42-Y48 HydrophobicContact CD1-CG 4.07Å; F42-Y48 AromaticContact CD1-CZ 3.83Å; F42-Y48 HydrophobicContact CE1-CD1 4.34Å; F42-Y48 HydrophobicContact CE1-CD2 4.26Å; F42-Y48 HydrophobicContact CE1-CG 4.17Å; F42-Y48 HydrophobicContact CG-CE2 4.47Å; R43-Y48 PolarHBondContact N-OH 2.84Å; Q46-Y48 HydrophobicContact CB-CD2 4.47Å; Q46-Y48 HydrophobicContact CB-CE2 3.63Å; Q46-Y48 HydrophobicContact CG-CE1 4.16Å; Q46-Y48 HydrophobicContact CG-CE2 3.79Å; Y48-T77 CarbonylContact O-C 3.35Å; Y48-T77 WeakPolarHBondContact O-CA 3.5Å; Y48-L78 PolarHBondContact N-O 2.83Å; Y48-L78 PolarHBondContact O-N 2.77Å; Y48-L291 HydrophobicContact CD1-CD1 4.16Å; Y48-L291 HydrophobicContact CE1-CD1 3.78Å; Y48-L323 HydrophobicContact CD1-CD1 4.12Å |
| 49 | K | 93 | Very high | 90 | Very high | 55 Ų | 55 | 34.5 Ų | 34.5 | 24% | 0.239 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 125.2 | 175.1 | -68.5 | -175 | 169.3 | -141.1 | 0 | 110.1 | E75 V324 S325 | K49-E75 WeakPolarHBondContact CD-OE1 3.47Å; K49-E75 WeakPolarHBondContact CE-OE1 3.19Å; K49-E75 IonicContact NZ-OE1 3.01Å; K49-E75 PolarHBondContact NZ-OE1 2.83Å; K49-V324 WeakPolarHBondContact O-CB 3.5Å; K49-V324 PolarHBondContact O-N 3.12Å; K49-S325 PolarHBondContact N-O 2.85Å; K49-S325 PolarHBondContact O-N 2.75Å |
| 50 | F | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 145.6 | 175.6 | -65.4 | -95.2 | 0 | 0 | 0 | 110.9 | F42 E75 V76 L78 F164 I292 L321 K322 L323 | F42-F50 HydrophobicContact CE1-CE2 4.42Å; F42-F50 HydrophobicContact CE1-CZ 4.04Å; F42-F50 HydrophobicContact CZ-CZ 4.23Å; F50-E75 CarbonylContact O-C 3.6Å; F50-E75 WeakPolarHBondContact O-CA 3.02Å; F50-V76 HydrophobicContact CB-CB 4.21Å; F50-V76 PolarHBondContact N-O 3.38Å; F50-V76 PolarHBondContact O-N 2.88Å; F50-L78 HydrophobicContact CD2-CB 4.44Å; F50-L78 HydrophobicContact CE2-CB 4.14Å; F50-L78 HydrophobicContact CE2-CD2 4.06Å; F50-F164 HydrophobicContact CD2-CZ 4.3Å; F50-F164 HydrophobicContact CE2-CE1 4.05Å; F50-F164 HydrophobicContact CE2-CZ 4.16Å; F50-F164 HydrophobicContact CZ-CE1 4.04Å; F50-F164 HydrophobicContact CZ-CZ 4.47Å; F50-I292 WeakPolarHBondContact CE1-O 3.4Å; F50-L321 HydrophobicContact CB-CD1 3.59Å; F50-L321 HydrophobicContact CB-CG 3.94Å; F50-L321 HydrophobicContact CD1-CD1 4.37Å; F50-L321 HydrophobicContact CD1-CD2 4.02Å; F50-L321 HydrophobicContact CD1-CG 3.77Å; F50-L321 HydrophobicContact CE1-CD2 4.42Å; F50-L321 HydrophobicContact CG-CD1 4.17Å; F50-L321 HydrophobicContact CG-CD2 4.32Å; F50-L321 HydrophobicContact CG-CG 4.06Å; F50-K322 CarbonylContact C-O 3.48Å; F50-K322 VanDerWaalsContact CA-O 3.24Å; F50-K322 WeakPolarHBondContact CA-O 3.32Å; F50-L323 HydrophobicContact CD1-CB 3.99Å; F50-L323 HydrophobicContact CD1-CD1 4.19Å; F50-L323 HydrophobicContact CD2-CD1 4.4Å; F50-L323 HydrophobicContact CE1-CB 3.73Å; F50-L323 HydrophobicContact CE1-CD1 3.81Å; F50-L323 HydrophobicContact CE1-CG 4.31Å; F50-L323 HydrophobicContact CE2-CD1 4.03Å; F50-L323 HydrophobicContact CG-CD1 4.48Å; F50-L323 HydrophobicContact CZ-CB 4.46Å; F50-L323 HydrophobicContact CZ-CD1 3.71Å |
| 51 | K | 96 | Very high | 90 | Very high | 110 Ų | 110 | 33.3 Ų | 33.3 | 48% | 0.478 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 119.1 | 166.1 | -172.3 | 176.6 | -177.4 | 178.4 | 0 | 108.8 | L321 K322 V324 | K51-L321 WeakPolarHBondContact O-CA 3.47Å; K51-K322 PolarHBondContact N-O 2.98Å; K51-K322 PolarHBondContact O-N 3.44Å; K51-V324 HydrophobicContact CB-CG2 3.95Å |
| 52 | Y | 96.4 | Very high | 88.9 | Confident | 7 Ų | 7 | 33.4 Ų | 33.4 | 3% | 0.027 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.4 | 176.2 | 178.3 | -106.4 | 0 | 0 | 0 | 111.1 | F72 T73 A74 V76 I160 L163 A319 S320 L321 | Y52-F72 AromaticContact CD1-CD1 3.81Å; Y52-F72 HydrophobicContact CD1-CD1 3.81Å; Y52-F72 AromaticContact CD1-CE1 3.9Å; Y52-F72 HydrophobicContact CD1-CE1 3.9Å; Y52-F72 AromaticContact CE1-CD1 3.59Å; Y52-F72 HydrophobicContact CE1-CD1 3.59Å; Y52-F72 AromaticContact CE1-CE1 3.9Å; Y52-F72 HydrophobicContact CE1-CE1 3.9Å; Y52-T73 WeakPolarHBondContact O-CA 3.44Å; Y52-A74 PolarHBondContact N-O 2.9Å; Y52-A74 PolarHBondContact O-N 2.76Å; Y52-V76 HydrophobicContact CG-CG2 4.46Å; Y52-I160 HydrophobicContact CD1-CD1 4.22Å; Y52-I160 HydrophobicContact CD1-CG1 4.23Å; Y52-I160 HydrophobicContact CD2-CG1 4.31Å; Y52-I160 HydrophobicContact CE1-CD1 4.22Å; Y52-I160 HydrophobicContact CE1-CG1 3.95Å; Y52-I160 HydrophobicContact CE2-CG1 4.03Å; Y52-I160 HydrophobicContact CG-CG1 4.4Å; Y52-L163 HydrophobicContact CD2-CD1 4.1Å; Y52-L163 HydrophobicContact CE2-CD1 3.71Å; Y52-A319 HydrophobicContact CE2-CB 4.09Å; Y52-S320 CarbonylContact C-O 3.54Å; Y52-S320 WeakPolarHBondContact CA-O 3.34Å; Y52-L321 HydrophobicContact CD2-CD1 4.11Å |
| 53 | N | 95.2 | Very high | 87.7 | Confident | 14 Ų | 14 | 34.1 Ų | 34.1 | 8% | 0.075 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 130.2 | 169.7 | -54.5 | -93.8 | 0 | 0 | 0 | 108.7 | R71 F72 T73 M108 A319 S320 | N53-R71 VanDerWaalsContact CG-NH2 3.31Å; N53-R71 PolarHBondContact OD1-NH2 3.18Å; N53-F72 CarbonylContact C-O 3.53Å; N53-F72 WeakPolarHBondContact CA-O 3.41Å; N53-T73 WeakPolarHBondContact OD1-CG2 3.13Å; N53-M108 HydrophobicContact CB-CE 4.28Å; N53-M108 HydrophobicContact CB-SD 3.61Å; N53-A319 CarbonylContact O-C 3.54Å; N53-A319 WeakPolarHBondContact O-CA 3.42Å; N53-A319 WeakPolarHBondContact O-CB 3.41Å; N53-S320 PolarHBondContact N-O 2.92Å; N53-S320 PolarHBondContact ND2-OG 3.48Å; N53-S320 PolarHBondContact O-N 2.98Å |
| 54 | G | 94.5 | Very high | 87 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | R71 F72 K318 | G54-R71 CarbonylContact O-C 3.55Å; G54-R71 VanDerWaalsContact O-CA 3.29Å; G54-R71 WeakPolarHBondContact O-CA 3.43Å; G54-F72 PolarHBondContact N-O 2.93Å; G54-F72 PolarHBondContact O-N 3.48Å; G54-K318 CarbonylContact C-O 3.57Å; G54-K318 WeakPolarHBondContact CA-O 3.15Å |
| 55 | Q | 94.5 | Very high | 86.7 | Confident | 8 Ų | 8 | 28.3 Ų | 28.3 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 131.7 | 179.6 | -174.8 | -178.2 | -76.7 | 0 | 0 | 109.4 | M69 T70 M108 I317 K318 | Q55-M69 HydrophobicContact CG-CG 3.87Å; Q55-M69 HydrophobicContact CG-SD 3.85Å; Q55-M69 PolarHBondContact NE2-SD 2.73Å; Q55-T70 CarbonylContact C-O 3.54Å; Q55-T70 VanDerWaalsContact CA-O 3.28Å; Q55-T70 WeakPolarHBondContact CA-O 3.44Å; Q55-M108 HydrophobicContact CB-CG 4Å; Q55-I317 WeakPolarHBondContact O-CA 3.26Å; Q55-K318 PolarHBondContact N-O 2.7Å; Q55-K318 PolarHBondContact O-N 3.17Å |
| 56 | V | 94.5 | Very high | 86.9 | Confident | 5 Ų | 5 | 24.4 Ų | 24.4 | 3% | 0.03 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.7 | 172.6 | -178 | 0 | 0 | 0 | 0 | 108.7 | I58 M69 T70 V315 I317 I921 N976 | V56-I58 HydrophobicContact CG1-CD1 4.19Å; V56-I58 HydrophobicContact CG1-CG1 4.07Å; V56-M69 CarbonylContact O-C 3.49Å; V56-M69 VanDerWaalsContact O-CA 3.28Å; V56-M69 WeakPolarHBondContact O-CA 3.41Å; V56-T70 PolarHBondContact N-O 3.31Å; V56-T70 PolarHBondContact O-N 3.39Å; V56-V315 HydrophobicContact CG1-CG1 4.26Å; V56-I317 HydrophobicContact CG1-CG1 4.17Å; V56-I317 HydrophobicContact CG2-CD1 4.44Å; V56-I317 HydrophobicContact CG2-CG1 4.2Å; V56-I317 HydrophobicContact CG2-CG2 4.37Å; V56-I921 HydrophobicContact CG2-CD1 3.41Å; V56-I921 VanDerWaalsContact CG2-CD1 3.41Å; V56-N976 PolarHBondContact O-ND2 2.78Å |
| 57 | K | 93.5 | Very high | 87.2 | Confident | 15 Ų | 15 | 24 Ų | 24 | 7% | 0.065 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127 | 179.7 | 179.9 | 170.7 | 175.1 | 166.3 | 0 | 110 | N67 M69 S102 D104 V315 K316 | K57-N67 VanDerWaalsContact CE-CG 3.42Å; K57-N67 VanDerWaalsContact CE-ND2 3.28Å; K57-N67 WeakPolarHBondContact CE-ND2 3.07Å; K57-N67 HydrophobicContact CG-CB 3.97Å; K57-M69 HydrophobicContact CB-CG 4.43Å; K57-M69 HydrophobicContact CD-SD 4.4Å; K57-S102 VanDerWaalsContact NZ-CB 3.29Å; K57-S102 PolarHBondContact NZ-OG 2.84Å; K57-D104 PolarHBondContact NZ-O 3Å; K57-V315 CarbonylContact O-C 3.48Å; K57-V315 WeakPolarHBondContact O-CA 3.41Å; K57-K316 PolarHBondContact N-O 3.48Å; K57-K316 PolarHBondContact O-N 2.55Å |
| 58 | I | 93.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 123.8 | -176.4 | -55.8 | -179.1 | 0 | 0 | 0 | 109.2 | V56 N67 S68 V313 V315 N976 I978 | V56-I58 HydrophobicContact CG1-CD1 4.19Å; V56-I58 HydrophobicContact CG1-CG1 4.07Å; I58-N67 CarbonylContact O-C 3.52Å; I58-N67 WeakPolarHBondContact O-CA 3.43Å; I58-N67 WeakPolarHBondContact O-CB 3.28Å; I58-S68 PolarHBondContact N-O 3.2Å; I58-S68 PolarHBondContact O-N 2.92Å; I58-V313 HydrophobicContact CG2-CG1 4.08Å; I58-V315 HydrophobicContact CD1-CG1 4.34Å; I58-V315 HydrophobicContact CD1-CG2 4.31Å; I58-V315 HydrophobicContact CG1-CB 4.36Å; I58-V315 HydrophobicContact CG1-CG1 3.99Å; I58-V315 HydrophobicContact CG1-CG2 4.02Å; I58-V315 HydrophobicContact CG2-CG2 4.2Å; I58-N976 VanDerWaalsContact CD1-O 3.31Å; I58-N976 WeakPolarHBondContact CD1-O 3.38Å; I58-I978 HydrophobicContact CG2-CB 4.16Å; I58-I978 HydrophobicContact CG2-CG2 3.63Å |
| 59 | G | 88.7 | Confident | 87.5 | Confident | 6 Ų | 6 | 20.8 Ų | 20.8 | 6% | 0.062 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | -165.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V313 V314 | G59-V313 WeakPolarHBondContact O-CA 3.37Å; G59-V314 PolarHBondContact N-O 2.81Å; G59-V314 VanDerWaalsContact N-O 3.11Å; G59-V314 PolarHBondContact O-N 2.91Å |
| 60 | V | 80.8 | Confident | 87.5 | Confident | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | trans | -128.6 | 80.8 | 179 | -174 | 0 | 0 | 0 | 0 | 108.1 | D62 H63 S64 V313 I978 P1094 | V60-D62 VanDerWaalsContact C-N 3.25Å; V60-D62 PolarHBondContact O-N 2.74Å; V60-H63 HydrophobicContact CG1-CB 4.07Å; V60-H63 VanDerWaalsContact CG1-CD2 3.46Å; V60-H63 WeakPolarHBondContact CG1-CD2 3.12Å; V60-H63 PolarHBondContact O-N 2.84Å; V60-H63 VanDerWaalsContact O-N 3.1Å; V60-S64 PolarHBondContact O-N 3.42Å; V60-V313 HydrophobicContact CG2-CG2 4.27Å; V60-I978 HydrophobicContact CG2-CD1 3.66Å; V60-P1094 HydrophobicContact CB-CB 4.47Å; V60-P1094 HydrophobicContact CG1-CB 3.92Å; V60-P1094 HydrophobicContact CG1-CG 3.59Å; V60-P1094 HydrophobicContact CG2-CB 4.14Å | ||
| 61 | P | 75.5 | Confident | 87.4 | Confident | 22 Ų | 22 | 19.7 Ų | 19.7 | 14% | 0.143 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -27.3 | -165.1 | 23.6 | -33.5 | 0 | 0 | 0 | 114.6 | H63 V314 K1048 | P61-H63 VanDerWaalsContact C-N 3.29Å; P61-H63 PolarHBondContact O-N 2.87Å; P61-V314 HydrophobicContact CG-CB 3.95Å; P61-V314 HydrophobicContact CG-CG2 3.59Å; P61-K1048 PolarHBondContact O-NZ 3.15Å |
| 62 | D | 65.2 | Low | 87.3 | Confident | 93 Ų | 93 | 15.7 Ų | 15.7 | 50% | 0.497 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -28.1 | 178.6 | -56.9 | -34.2 | 0 | 0 | 0 | 112.6 | V60 | V60-D62 VanDerWaalsContact C-N 3.25Å; V60-D62 PolarHBondContact O-N 2.74Å |
| 63 | H | 63.3 | Low | 87.3 | Confident | 28 Ų | 28 | 15.6 Ų | 15.6 | 13% | 0.13 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.7 | -31.5 | -173.7 | -67.9 | -88.2 | 0 | 0 | 0 | 113.7 | V60 P61 E310 P1094 | V60-H63 HydrophobicContact CG1-CB 4.07Å; V60-H63 VanDerWaalsContact CG1-CD2 3.46Å; V60-H63 WeakPolarHBondContact CG1-CD2 3.12Å; V60-H63 PolarHBondContact O-N 2.84Å; V60-H63 VanDerWaalsContact O-N 3.1Å; P61-H63 VanDerWaalsContact C-N 3.29Å; P61-H63 PolarHBondContact O-N 2.87Å; H63-E310 PolarHBondContact NE2-O 3.31Å; H63-E310 VanDerWaalsContact NE2-O 3.14Å; H63-P1094 HydrophobicContact CB-CG 4.25Å; H63-P1094 WeakPolarHBondContact CD2-CG 3.34Å; H63-P1094 VanDerWaalsContact NE2-CG 3.3Å; H63-P1094 WeakPolarHBondContact NE2-CG 3.39Å |
| 64 | S | 72.8 | Confident | 87.3 | Confident | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.014 | 8% | 0.082 | C | C | . | . | trans | -153.3 | 149.1 | -176.1 | -168.8 | 0 | 0 | 0 | 0 | 111.8 | V60 Q66 V1045 | V60-S64 PolarHBondContact O-N 3.42Å; S64-Q66 WeakPolarHBondContact OG-CB 3.39Å; S64-Q66 WeakPolarHBondContact OG-CG 3.38Å; S64-Q66 PolarHBondContact OG-N 2.86Å; S64-Q66 VanDerWaalsContact OG-N 3.13Å; S64-V1045 WeakPolarHBondContact CB-O 3.5Å; S64-V1045 PolarHBondContact OG-O 3.03Å | ||
| 65 | N | 80.5 | Confident | 87.4 | Confident | 49 Ų | 49 | 17.4 Ų | 17.4 | 26% | 0.262 | 9% | 0.091 | S | C | . | . | S | Bend | trans | -82.2 | -1.6 | 168.4 | -67.4 | -20.2 | 0 | 0 | 0 | 112 | N67 S102 Q105 | N65-N67 PolarHBondContact O-ND2 2.82Å; N65-S102 PolarHBondContact O-N 2.87Å; N65-Q105 PolarHBondContact OD1-NE2 2.83Å |
| 66 | Q | 86.7 | Confident | 87.5 | Confident | 11 Ų | 11 | 17 Ų | 17 | 5% | 0.051 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 129.2 | 176.2 | -65.1 | 177.4 | 4.5 | 0 | 0 | 111.6 | S64 G100 N101 I1027 V1044 E1047 | S64-Q66 WeakPolarHBondContact OG-CB 3.39Å; S64-Q66 WeakPolarHBondContact OG-CG 3.38Å; S64-Q66 PolarHBondContact OG-N 2.86Å; S64-Q66 VanDerWaalsContact OG-N 3.13Å; Q66-G100 VanDerWaalsContact CA-O 3.31Å; Q66-G100 WeakPolarHBondContact CA-O 3.48Å; Q66-N101 WeakPolarHBondContact CG-OD1 3.42Å; Q66-I1027 HydrophobicContact CB-CD1 4.47Å; Q66-V1044 HydrophobicContact CB-CG1 4.12Å; Q66-V1044 HydrophobicContact CB-CG2 4.25Å; Q66-V1044 VanDerWaalsContact OE1-CA 3.3Å; Q66-E1047 PolarHBondContact NE2-OE1 2.71Å; Q66-E1047 VanDerWaalsContact NE2-OE1 3.07Å |
| 67 | N | 90.6 | Very high | 87.4 | Confident | 5 Ų | 5 | 16.9 Ų | 16.9 | 3% | 0.027 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 162 | -177.9 | 57.9 | 85.3 | 0 | 0 | 0 | 111.5 | K57 I58 N65 G100 S102 I1027 | K57-N67 VanDerWaalsContact CE-CG 3.42Å; K57-N67 VanDerWaalsContact CE-ND2 3.28Å; K57-N67 WeakPolarHBondContact CE-ND2 3.07Å; K57-N67 HydrophobicContact CG-CB 3.97Å; I58-N67 CarbonylContact O-C 3.52Å; I58-N67 WeakPolarHBondContact O-CA 3.43Å; I58-N67 WeakPolarHBondContact O-CB 3.28Å; N65-N67 PolarHBondContact O-ND2 2.82Å; N67-G100 PolarHBondContact N-O 2.8Å; N67-G100 PolarHBondContact ND2-O 2.81Å; N67-G100 PolarHBondContact O-N 2.79Å; N67-S102 WeakPolarHBondContact ND2-CB 3.42Å; N67-I1027 VanDerWaalsContact O-CD1 3.23Å; N67-I1027 WeakPolarHBondContact O-CD1 3.48Å |
| 68 | S | 93.9 | Very high | 87.4 | Confident | 1 Ų | 1 | 16.2 Ų | 16.2 | 1% | 0.007 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.6 | 166.2 | -170.8 | 0 | 0 | 0 | 0 | 109.2 | I58 L99 N976 G977 Y1028 | I58-S68 PolarHBondContact N-O 3.2Å; I58-S68 PolarHBondContact O-N 2.92Å; S68-L99 VanDerWaalsContact OG-CD2 3.31Å; S68-L99 WeakPolarHBondContact OG-CD2 3.45Å; S68-N976 PolarHBondContact O-ND2 2.92Å; S68-N976 WeakPolarHBondContact OG-CB 3.36Å; S68-G977 WeakPolarHBondContact CB-O 3.1Å; S68-Y1028 PolarHBondContact OG-O 3.39Å |
| 69 | M | 93.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 139.6 | -174.6 | -175.5 | 168.5 | 55.7 | 0 | 0 | 111.8 | Q55 V56 K57 K97 Q98 A109 L114 | Q55-M69 HydrophobicContact CG-CG 3.87Å; Q55-M69 HydrophobicContact CG-SD 3.85Å; Q55-M69 PolarHBondContact NE2-SD 2.73Å; V56-M69 CarbonylContact O-C 3.49Å; V56-M69 VanDerWaalsContact O-CA 3.28Å; V56-M69 WeakPolarHBondContact O-CA 3.41Å; K57-M69 HydrophobicContact CB-CG 4.43Å; K57-M69 HydrophobicContact CD-SD 4.4Å; M69-K97 CarbonylContact O-C 3.51Å; M69-K97 WeakPolarHBondContact O-CA 3.29Å; M69-Q98 HydrophobicContact CB-CB 4.44Å; M69-Q98 HydrophobicContact CE-CB 4.11Å; M69-Q98 PolarHBondContact N-O 2.82Å; M69-Q98 PolarHBondContact O-N 3.31Å; M69-A109 HydrophobicContact CE-CB 3.86Å; M69-A109 HydrophobicContact SD-CB 4.32Å; M69-L114 HydrophobicContact CE-CD2 3.56Å |
| 70 | T | 93.8 | Very high | 87.2 | Confident | 9 Ų | 9 | 17.8 Ų | 17.8 | 6% | 0.055 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 143.2 | 170.8 | 48.6 | 0 | 0 | 0 | 0 | 109.8 | Q55 V56 G96 N976 Y1029 | Q55-T70 CarbonylContact C-O 3.54Å; Q55-T70 VanDerWaalsContact CA-O 3.28Å; Q55-T70 WeakPolarHBondContact CA-O 3.44Å; V56-T70 PolarHBondContact N-O 3.31Å; V56-T70 PolarHBondContact O-N 3.39Å; T70-G96 CarbonylContact C-O 3.6Å; T70-G96 VanDerWaalsContact CA-O 3.28Å; T70-G96 WeakPolarHBondContact CA-O 3.48Å; T70-N976 HydrophobicContact CG2-CB 3.65Å; T70-N976 VanDerWaalsContact OG1-CG 3.3Å; T70-N976 PolarHBondContact OG1-ND2 2.83Å; T70-N976 PolarHBondContact OG1-OD1 3.34Å; T70-N976 VanDerWaalsContact OG1-OD1 3.08Å; T70-Y1029 HydrophobicContact CG2-CD2 3.82Å; T70-Y1029 HydrophobicContact CG2-CE2 3.66Å |
| 71 | R | 93.1 | Very high | 87.4 | Confident | 22 Ų | 22 | 22.8 Ų | 22.8 | 8% | 0.083 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 122.9 | 176.2 | -171.6 | 174.9 | 173.2 | 127.9 | 4.5 | 110.4 | N53 G54 T73 L95 G96 M108 A109 F111 L114 | N53-R71 VanDerWaalsContact CG-NH2 3.31Å; N53-R71 PolarHBondContact OD1-NH2 3.18Å; G54-R71 CarbonylContact O-C 3.55Å; G54-R71 VanDerWaalsContact O-CA 3.29Å; G54-R71 WeakPolarHBondContact O-CA 3.43Å; R71-T73 HydrophobicContact CG-CG2 4.11Å; R71-L95 CarbonylContact O-C 3.53Å; R71-L95 WeakPolarHBondContact O-CA 3.32Å; R71-G96 PolarHBondContact N-O 2.96Å; R71-G96 PolarHBondContact O-N 3.27Å; R71-M108 VanDerWaalsContact CZ-SD 3.53Å; R71-M108 PolarHBondContact NH1-SD 3.31Å; R71-M108 VanDerWaalsContact NH1-SD 3.39Å; R71-M108 PolarHBondContact NH2-SD 2.98Å; R71-M108 VanDerWaalsContact NH2-SD 3.43Å; R71-A109 WeakPolarHBondContact CD-O 3.48Å; R71-A109 PolarHBondContact NH1-O 3.38Å; R71-F111 HydrophobicContact CG-CD2 4.34Å; R71-L114 HydrophobicContact CB-CD1 3.24Å; R71-L114 HydrophobicContact CG-CD1 4.05Å |
| 72 | F | 93.5 | Very high | 87.8 | Confident | 27 Ų | 27 | 23.8 Ų | 23.8 | 12% | 0.118 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 127.8 | 173.3 | -179.8 | -88.1 | 0 | 0 | 0 | 109 | Y52 N53 G54 A74 I93 R94 | Y52-F72 AromaticContact CD1-CD1 3.81Å; Y52-F72 HydrophobicContact CD1-CD1 3.81Å; Y52-F72 AromaticContact CD1-CE1 3.9Å; Y52-F72 HydrophobicContact CD1-CE1 3.9Å; Y52-F72 AromaticContact CE1-CD1 3.59Å; Y52-F72 HydrophobicContact CE1-CD1 3.59Å; Y52-F72 AromaticContact CE1-CE1 3.9Å; Y52-F72 HydrophobicContact CE1-CE1 3.9Å; N53-F72 CarbonylContact C-O 3.53Å; N53-F72 WeakPolarHBondContact CA-O 3.41Å; G54-F72 PolarHBondContact N-O 2.93Å; G54-F72 PolarHBondContact O-N 3.48Å; F72-A74 HydrophobicContact CE1-CB 3.89Å; F72-A74 HydrophobicContact CZ-CB 4.35Å; F72-I93 HydrophobicContact CD2-CG2 4.1Å; F72-I93 HydrophobicContact CE2-CG2 3.27Å; F72-I93 HydrophobicContact CZ-CG1 4.36Å; F72-I93 HydrophobicContact CZ-CG2 3.56Å; F72-R94 WeakPolarHBondContact CA-O 3.4Å |
| 73 | T | 95 | Very high | 88.7 | Confident | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.031 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 141.3 | 175.8 | 70.7 | 0 | 0 | 0 | 0 | 110.2 | Y52 N53 R71 I93 R94 F111 | Y52-T73 WeakPolarHBondContact O-CA 3.44Å; N53-T73 WeakPolarHBondContact OD1-CG2 3.13Å; R71-T73 HydrophobicContact CG-CG2 4.11Å; T73-I93 CarbonylContact O-C 3.58Å; T73-I93 WeakPolarHBondContact O-CA 3.41Å; T73-R94 PolarHBondContact N-O 3.23Å; T73-R94 PolarHBondContact O-N 2.66Å; T73-R94 PolarHBondContact OG1-NE 2.79Å; T73-F111 HydrophobicContact CG2-CD2 3.65Å; T73-F111 HydrophobicContact CG2-CE2 4.16Å; T73-F111 HydrophobicContact CG2-CG 4.49Å |
| 74 | A | 95.8 | Very high | 89.8 | Confident | 7 Ų | 7 | 28.7 Ų | 28.7 | 6% | 0.058 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 163.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y52 F72 V90 I93 | Y52-A74 PolarHBondContact N-O 2.9Å; Y52-A74 PolarHBondContact O-N 2.76Å; F72-A74 HydrophobicContact CE1-CB 3.89Å; F72-A74 HydrophobicContact CZ-CB 4.35Å; A74-V90 HydrophobicContact CB-CG1 3.4Å; A74-V90 VanDerWaalsContact CB-CG1 3.4Å; A74-I93 HydrophobicContact CB-CG1 4.14Å |
| 75 | E | 96.4 | Very high | 90.6 | Very high | 47 Ų | 47 | 32 Ų | 32 | 22% | 0.22 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 121.1 | 164.7 | -176.2 | 175.6 | 133.9 | 0 | 0 | 108.7 | K49 F50 V90 N91 N92 | K49-E75 WeakPolarHBondContact CD-OE1 3.47Å; K49-E75 WeakPolarHBondContact CE-OE1 3.19Å; K49-E75 IonicContact NZ-OE1 3.01Å; K49-E75 PolarHBondContact NZ-OE1 2.83Å; F50-E75 CarbonylContact O-C 3.6Å; F50-E75 WeakPolarHBondContact O-CA 3.02Å; E75-V90 WeakPolarHBondContact O-CA 3.44Å; E75-N91 PolarHBondContact N-O 3.45Å; E75-N91 PolarHBondContact O-N 3.49Å; E75-N92 HydrophobicContact CB-CB 4.22Å; E75-N92 PolarHBondContact OE2-ND2 3.49Å |
| 76 | V | 96.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 115.2 | 179.5 | 178.8 | 0 | 0 | 0 | 0 | 108 | F50 Y52 I88 V90 I160 L321 | F50-V76 HydrophobicContact CB-CB 4.21Å; F50-V76 PolarHBondContact N-O 3.38Å; F50-V76 PolarHBondContact O-N 2.88Å; Y52-V76 HydrophobicContact CG-CG2 4.46Å; V76-I88 HydrophobicContact CG1-CG1 4.31Å; V76-I88 HydrophobicContact CG1-CG2 3.86Å; V76-V90 HydrophobicContact CG2-CG2 4.45Å; V76-I160 HydrophobicContact CG1-CG2 4.16Å; V76-I160 HydrophobicContact CG2-CD1 4.45Å; V76-I160 HydrophobicContact CG2-CG2 3.97Å; V76-L321 HydrophobicContact CB-CD1 4.41Å; V76-L321 HydrophobicContact CG2-CD1 4.33Å |
| 77 | T | 93.5 | Very high | 91.3 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 124.1 | 173.3 | -61 | 0 | 0 | 0 | 0 | 108.8 | K47 Y48 I88 R89 M336 | K47-T77 HydrophobicContact CD-CG2 4.09Å; K47-T77 HydrophobicContact CG-CG2 3.7Å; Y48-T77 CarbonylContact O-C 3.35Å; Y48-T77 WeakPolarHBondContact O-CA 3.5Å; T77-I88 CarbonylContact O-C 3.51Å; T77-I88 VanDerWaalsContact O-CA 3.29Å; T77-I88 WeakPolarHBondContact O-CA 3.24Å; T77-R89 PolarHBondContact N-O 3.16Å; T77-R89 PolarHBondContact O-N 3.48Å; T77-M336 HydrophobicContact CG2-CE 4.21Å; T77-M336 HydrophobicContact CG2-SD 4.1Å |
| 78 | L | 92.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.9 | 175.4 | 177.5 | 76.7 | 0 | 0 | 0 | 109.3 | F42 Y48 F50 F86 I87 I88 F133 F164 | F42-L78 HydrophobicContact CD1-CD2 3.93Å; F42-L78 HydrophobicContact CE1-CD2 3.51Å; F42-L78 HydrophobicContact CZ-CD2 4Å; Y48-L78 PolarHBondContact N-O 2.83Å; Y48-L78 PolarHBondContact O-N 2.77Å; F50-L78 HydrophobicContact CD2-CB 4.44Å; F50-L78 HydrophobicContact CE2-CB 4.14Å; F50-L78 HydrophobicContact CE2-CD2 4.06Å; L78-F86 HydrophobicContact CD1-CB 4.02Å; L78-F86 HydrophobicContact CD1-CD1 3.83Å; L78-F86 HydrophobicContact CD1-CG 4.39Å; L78-F86 HydrophobicContact CD2-CD1 4.15Å; L78-F86 HydrophobicContact CD2-CE1 4.47Å; L78-F86 HydrophobicContact CG-CD1 4.08Å; L78-I87 WeakPolarHBondContact CA-O 3.34Å; L78-I88 HydrophobicContact CB-CG1 4.39Å; L78-I88 HydrophobicContact CD1-CD1 3.95Å; L78-I88 HydrophobicContact CD1-CG1 3.51Å; L78-F133 HydrophobicContact CD1-CE1 3.87Å; L78-F133 HydrophobicContact CD1-CZ 3.84Å; L78-F164 HydrophobicContact CD2-CD1 4.4Å; L78-F164 HydrophobicContact CD2-CE1 3.76Å; L78-F164 HydrophobicContact CD2-CZ 4.28Å |
| 79 | V | 90.3 | Very high | 91.3 | Very high | 17 Ų | 17 | 32.4 Ų | 32.4 | 10% | 0.103 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130.7 | 170.9 | 170 | 0 | 0 | 0 | 0 | 109.3 | Q46 K47 F86 I87 M336 | Q46-V79 WeakPolarHBondContact O-CA 3.4Å; K47-V79 HydrophobicContact CB-CG2 3.97Å; K47-V79 HydrophobicContact CG-CG2 3.94Å; V79-F86 CarbonylContact O-C 3.57Å; V79-F86 WeakPolarHBondContact O-CA 3.39Å; V79-I87 PolarHBondContact N-O 3.38Å; V79-I87 PolarHBondContact O-N 2.94Å; V79-M336 HydrophobicContact CB-CE 3.44Å; V79-M336 VanDerWaalsContact CB-CE 3.44Å; V79-M336 HydrophobicContact CG1-CE 4.47Å; V79-M336 HydrophobicContact CG2-CE 3.19Å; V79-M336 HydrophobicContact CG2-SD 4.26Å |
| 80 | K | 88.8 | Confident | 91.3 | Very high | 22 Ų | 22 | 32.6 Ų | 32.6 | 10% | 0.096 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 112 | 169.6 | -176.5 | 178 | 178.6 | -178.4 | 0 | 108.2 | F42 R43 I44 N45 S82 E83 F86 | F42-K80 HydrophobicContact CB-CD 4.32Å; F42-K80 WeakPolarHBondContact O-CD 3.28Å; R43-K80 WeakPolarHBondContact O-CB 3.4Å; I44-K80 CarbonylContact C-O 3.57Å; I44-K80 WeakPolarHBondContact CA-O 3.36Å; I44-K80 HydrophobicContact CG1-CD 4Å; I44-K80 HydrophobicContact CG1-CG 4.16Å; N45-K80 PolarHBondContact N-O 3.33Å; K80-S82 WeakPolarHBondContact CE-O 3.35Å; K80-S82 WeakPolarHBondContact CG-O 3.26Å; K80-E83 WeakPolarHBondContact CE-O 3.45Å; K80-E83 PolarHBondContact NZ-O 2.64Å; K80-E83 IonicContact NZ-OE2 3.87Å; K80-E83 PolarHBondContact NZ-OE2 3.32Å; K80-F86 HydrophobicContact CB-CD1 3.9Å; K80-F86 HydrophobicContact CB-CE1 3.63Å; K80-F86 HydrophobicContact CB-CZ 4.06Å; K80-F86 HydrophobicContact CD-CE1 4.04Å; K80-F86 HydrophobicContact CD-CE2 4.22Å; K80-F86 HydrophobicContact CD-CZ 3.61Å; K80-F86 HydrophobicContact CG-CD1 4.27Å; K80-F86 HydrophobicContact CG-CE1 3.8Å; K80-F86 HydrophobicContact CG-CE2 4.03Å; K80-F86 HydrophobicContact CG-CZ 3.67Å |
| 81 | R | 83.6 | Confident | 91.3 | Very high | 106 Ų | 106 | 33.9 Ų | 33.9 | 40% | 0.4 | 16% | 0.158 | S | C | . | . | trans | -87.2 | -37.6 | -174.8 | -179.5 | -178.3 | 176.3 | -167.2 | 4.9 | 112.4 | H85 E132 | R81-H85 PolarHBondContact N-O 3.21Å; R81-E132 IonicContact NH1-OE1 2.79Å; R81-E132 PolarHBondContact NH1-OE1 3.01Å; R81-E132 IonicContact NH1-OE2 3.71Å | ||
| 82 | S | 84.8 | Confident | 91.3 | Very high | 44 Ų | 44 | 38 Ų | 38 | 31% | 0.308 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -145.2 | -170.7 | 174.6 | 67.8 | 0 | 0 | 0 | 0 | 109 | K80 E84 H85 | K80-S82 WeakPolarHBondContact CE-O 3.35Å; K80-S82 WeakPolarHBondContact CG-O 3.26Å; S82-E84 VanDerWaalsContact C-N 3.27Å; S82-E84 PolarHBondContact O-N 2.92Å; S82-H85 PolarHBondContact N-O 3.18Å; S82-H85 WeakPolarHBondContact OG-CB 3.45Å; S82-H85 PolarHBondContact OG-CD2 3.38Å |
| 83 | E | 84 | Confident | 91.3 | Very high | 130 Ų | 130 | 37.6 Ų | 37.6 | 61% | 0.607 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -57.5 | -37.8 | -174.9 | -78.7 | -61.8 | 170.6 | 0 | 0 | 114.2 | I44 K80 | I44-E83 HydrophobicContact CD1-CG 4.15Å; K80-E83 WeakPolarHBondContact CE-O 3.45Å; K80-E83 PolarHBondContact NZ-O 2.64Å; K80-E83 IonicContact NZ-OE2 3.87Å; K80-E83 PolarHBondContact NZ-OE2 3.32Å |
| 84 | E | 86.3 | Confident | 91.3 | Very high | 94 Ų | 94 | 43 Ų | 43 | 44% | 0.439 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -115.7 | -12.3 | -177 | -61 | -178.1 | 169.4 | 0 | 0 | 113.3 | S82 T134 Y135 A136 | S82-E84 VanDerWaalsContact C-N 3.27Å; S82-E84 PolarHBondContact O-N 2.92Å; E84-T134 HydrophobicContact CB-CG2 3.98Å; E84-T134 CarbonylContact O-C 3.6Å; E84-T134 WeakPolarHBondContact O-CA 3.36Å; E84-Y135 PolarHBondContact O-N 3.1Å; E84-A136 HydrophobicContact CG-CB 4.37Å |
| 85 | H | 89 | Confident | 91.2 | Very high | 70 Ų | 70 | 43 Ų | 43 | 32% | 0.324 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 126.1 | -174.1 | -65.2 | -96.7 | 0 | 0 | 0 | 112.6 | R81 S82 E132 | R81-H85 PolarHBondContact N-O 3.21Å; S82-H85 PolarHBondContact N-O 3.18Å; S82-H85 WeakPolarHBondContact OG-CB 3.45Å; S82-H85 PolarHBondContact OG-CD2 3.38Å; H85-E132 IonicContact ND1-OE1 3.82Å |
| 86 | F | 91.8 | Very high | 91.1 | Very high | 7 Ų | 7 | 40.7 Ų | 40.7 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 145.4 | 179.6 | -71.5 | -105.3 | 0 | 0 | 0 | 111 | F42 L78 V79 K80 E132 F133 Y135 | F42-F86 HydrophobicContact CB-CE1 3.87Å; F42-F86 HydrophobicContact CB-CZ 4.17Å; F42-F86 HydrophobicContact CD2-CE1 4.38Å; F42-F86 HydrophobicContact CG-CE1 4.05Å; L78-F86 HydrophobicContact CD1-CB 4.02Å; L78-F86 HydrophobicContact CD1-CD1 3.83Å; L78-F86 HydrophobicContact CD1-CG 4.39Å; L78-F86 HydrophobicContact CD2-CD1 4.15Å; L78-F86 HydrophobicContact CD2-CE1 4.47Å; L78-F86 HydrophobicContact CG-CD1 4.08Å; V79-F86 CarbonylContact O-C 3.57Å; V79-F86 WeakPolarHBondContact O-CA 3.39Å; K80-F86 HydrophobicContact CB-CD1 3.9Å; K80-F86 HydrophobicContact CB-CE1 3.63Å; K80-F86 HydrophobicContact CB-CZ 4.06Å; K80-F86 HydrophobicContact CD-CE1 4.04Å; K80-F86 HydrophobicContact CD-CE2 4.22Å; K80-F86 HydrophobicContact CD-CZ 3.61Å; K80-F86 HydrophobicContact CG-CD1 4.27Å; K80-F86 HydrophobicContact CG-CE1 3.8Å; K80-F86 HydrophobicContact CG-CE2 4.03Å; K80-F86 HydrophobicContact CG-CZ 3.67Å; F86-E132 CarbonylContact O-C 3.58Å; F86-E132 VanDerWaalsContact O-CA 3.26Å; F86-E132 WeakPolarHBondContact O-CA 3.44Å; F86-F133 HydrophobicContact CB-CD1 4.01Å; F86-F133 HydrophobicContact CB-CD2 4.28Å; F86-F133 HydrophobicContact CB-CE1 3.46Å; F86-F133 VanDerWaalsContact CB-CE1 3.46Å; F86-F133 HydrophobicContact CB-CE2 3.81Å; F86-F133 HydrophobicContact CB-CG 4.39Å; F86-F133 HydrophobicContact CB-CZ 3.37Å; F86-F133 HydrophobicContact CD1-CZ 4.49Å; F86-F133 HydrophobicContact CG-CE2 4.23Å; F86-F133 HydrophobicContact CG-CZ 4Å; F86-F133 PolarHBondContact N-O 3.25Å; F86-F133 PolarHBondContact O-N 3.25Å; F86-Y135 HydrophobicContact CD2-CD1 4.24Å; F86-Y135 HydrophobicContact CD2-CG 4.34Å; F86-Y135 AromaticContact CE2-CD1 3.72Å; F86-Y135 HydrophobicContact CE2-CD1 3.72Å; F86-Y135 HydrophobicContact CE2-CG 4.2Å; F86-Y135 AromaticContact CZ-CD1 3.9Å; F86-Y135 HydrophobicContact CZ-CD1 3.9Å |
| 87 | I | 91.4 | Very high | 91 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 129.1 | 178 | -59.1 | 177.6 | 0 | 0 | 0 | 109.1 | L78 V79 P130 V131 E132 M336 F339 | L78-I87 WeakPolarHBondContact CA-O 3.34Å; V79-I87 PolarHBondContact N-O 3.38Å; V79-I87 PolarHBondContact O-N 2.94Å; I87-P130 HydrophobicContact CG2-CB 4.09Å; I87-V131 WeakPolarHBondContact CA-O 3.33Å; I87-E132 HydrophobicContact CG1-CB 4.14Å; I87-E132 HydrophobicContact CG1-CG 4.09Å; I87-M336 HydrophobicContact CB-CE 4.29Å; I87-M336 WeakPolarHBondContact CD1-O 3.38Å; I87-M336 HydrophobicContact CG2-CE 4.09Å; I87-F339 HydrophobicContact CD1-CB 4.48Å |
| 88 | I | 92.2 | Very high | 90.9 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 138 | 172.8 | -81 | 166.3 | 0 | 0 | 0 | 110.8 | V76 T77 L78 V90 P130 V131 F133 I161 F164 | V76-I88 HydrophobicContact CG1-CG1 4.31Å; V76-I88 HydrophobicContact CG1-CG2 3.86Å; T77-I88 CarbonylContact O-C 3.51Å; T77-I88 VanDerWaalsContact O-CA 3.29Å; T77-I88 WeakPolarHBondContact O-CA 3.24Å; L78-I88 HydrophobicContact CB-CG1 4.39Å; L78-I88 HydrophobicContact CD1-CD1 3.95Å; L78-I88 HydrophobicContact CD1-CG1 3.51Å; I88-V90 HydrophobicContact CG2-CG2 4.2Å; I88-P130 CarbonylContact O-C 3.53Å; I88-P130 VanDerWaalsContact O-CA 3.25Å; I88-P130 WeakPolarHBondContact O-CA 3.38Å; I88-V131 HydrophobicContact CB-CG1 4.01Å; I88-V131 HydrophobicContact CG2-CG1 4.21Å; I88-V131 PolarHBondContact N-O 2.86Å; I88-V131 PolarHBondContact O-N 3.2Å; I88-F133 HydrophobicContact CD1-CD1 4.32Å; I88-F133 HydrophobicContact CD1-CE1 3.48Å; I88-F133 VanDerWaalsContact CD1-CE1 3.48Å; I88-F133 HydrophobicContact CD1-CZ 4.09Å; I88-F133 HydrophobicContact CG1-CE1 3.85Å; I88-I161 HydrophobicContact CD1-CG1 3.76Å; I88-F164 HydrophobicContact CD1-CD2 4.08Å; I88-F164 HydrophobicContact CD1-CE2 3.67Å; I88-F164 HydrophobicContact CD1-CZ 4.31Å |
| 89 | R | 92.3 | Very high | 90.8 | Very high | 64 Ų | 64 | 45 Ų | 45 | 24% | 0.242 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.2 | 166.1 | -170.6 | 174.9 | 177.8 | 171 | 0.3 | 109.8 | T77 N91 E128 E335 | T77-R89 PolarHBondContact N-O 3.16Å; T77-R89 PolarHBondContact O-N 3.48Å; R89-N91 PolarHBondContact NE-OD1 3.28Å; R89-E128 WeakPolarHBondContact CG-O 3.11Å; R89-E335 IonicContact CZ-OE2 3.82Å; R89-E335 IonicContact NH1-OE2 3.71Å; R89-E335 PolarHBondContact NH1-OE2 2.63Å; R89-E335 IonicContact NH2-OE2 3.92Å |
| 90 | V | 93.6 | Very high | 90.6 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.03 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 120.9 | -179.2 | -173.1 | 0 | 0 | 0 | 0 | 108.8 | A74 E75 V76 I88 I93 E128 I160 | A74-V90 HydrophobicContact CB-CG1 3.4Å; A74-V90 VanDerWaalsContact CB-CG1 3.4Å; E75-V90 WeakPolarHBondContact O-CA 3.44Å; V76-V90 HydrophobicContact CG2-CG2 4.45Å; I88-V90 HydrophobicContact CG2-CG2 4.2Å; V90-I93 HydrophobicContact CG1-CD1 4.12Å; V90-I93 HydrophobicContact CG1-CG1 3.96Å; V90-E128 WeakPolarHBondContact O-CA 3.45Å; V90-E128 WeakPolarHBondContact O-CG 3.36Å; V90-I160 HydrophobicContact CG1-CD1 4.42Å; V90-I160 HydrophobicContact CG2-CD1 3.85Å |
| 91 | N | 92.3 | Very high | 90.3 | Very high | 36 Ų | 36 | 47 Ų | 47 | 19% | 0.193 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 174.6 | -177.1 | -60.3 | -41.9 | 0 | 0 | 0 | 110.7 | E75 R89 I93 | E75-N91 PolarHBondContact N-O 3.45Å; E75-N91 PolarHBondContact O-N 3.49Å; R89-N91 PolarHBondContact NE-OD1 3.28Å; N91-I93 VanDerWaalsContact C-N 3.25Å; N91-I93 PolarHBondContact O-N 3.24Å |
| 92 | N | 93.6 | Very high | 90 | Very high | 109 Ų | 109 | 42.7 Ų | 42.7 | 58% | 0.583 | 21% | 0.208 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 52.8 | 42.3 | 175.1 | -67.5 | -24.3 | 0 | 0 | 0 | 113.2 | E75 | E75-N92 HydrophobicContact CB-CB 4.22Å; E75-N92 PolarHBondContact OE2-ND2 3.49Å |
| 93 | I | 94.3 | Very high | 89.2 | Confident | 19 Ų | 19 | 49.5 Ų | 49.5 | 10% | 0.097 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 129.2 | -173.2 | -58.6 | 167.9 | 0 | 0 | 0 | 110.1 | F72 T73 A74 V90 N91 I119 L124 L127 E128 | F72-I93 HydrophobicContact CD2-CG2 4.1Å; F72-I93 HydrophobicContact CE2-CG2 3.27Å; F72-I93 HydrophobicContact CZ-CG1 4.36Å; F72-I93 HydrophobicContact CZ-CG2 3.56Å; T73-I93 CarbonylContact O-C 3.58Å; T73-I93 WeakPolarHBondContact O-CA 3.41Å; A74-I93 HydrophobicContact CB-CG1 4.14Å; V90-I93 HydrophobicContact CG1-CD1 4.12Å; V90-I93 HydrophobicContact CG1-CG1 3.96Å; N91-I93 VanDerWaalsContact C-N 3.25Å; N91-I93 PolarHBondContact O-N 3.24Å; I93-I119 HydrophobicContact CG2-CD1 3.73Å; I93-L124 HydrophobicContact CB-CD2 4.01Å; I93-L124 HydrophobicContact CD1-CD2 4.42Å; I93-L124 HydrophobicContact CG2-CD2 4.26Å; I93-L127 HydrophobicContact CD1-CB 3.52Å; I93-L127 HydrophobicContact CD1-CD1 4.1Å; I93-L127 HydrophobicContact CD1-CG 4.42Å; I93-E128 HydrophobicContact CD1-CG 4.27Å |
| 94 | R | 94.3 | Very high | 88.4 | Confident | 117 Ų | 117 | 46.5 Ų | 46.5 | 44% | 0.442 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 145.1 | 173.3 | -51.9 | -179.2 | -65.8 | 176.5 | 2.3 | 110.9 | F72 T73 F111 | F72-R94 WeakPolarHBondContact CA-O 3.4Å; T73-R94 PolarHBondContact N-O 3.23Å; T73-R94 PolarHBondContact O-N 2.66Å; T73-R94 PolarHBondContact OG1-NE 2.79Å; R94-F111 HydrophobicContact CB-CE1 4.23Å; R94-F111 HydrophobicContact CB-CE2 3.93Å; R94-F111 HydrophobicContact CB-CZ 3.55Å |
| 95 | L | 93.8 | Very high | 87.4 | Confident | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 132.9 | 176.4 | 178.9 | 67.4 | 0 | 0 | 0 | 109.4 | R71 V117 I119 | R71-L95 CarbonylContact O-C 3.53Å; R71-L95 WeakPolarHBondContact O-CA 3.32Å; L95-V117 HydrophobicContact CB-CB 4.39Å; L95-V117 HydrophobicContact CD2-CB 3.96Å; L95-V117 HydrophobicContact CD2-CG1 4.04Å; L95-V117 HydrophobicContact CG-CB 4.1Å; L95-V117 PolarHBondContact O-N 3.35Å; L95-I119 HydrophobicContact CB-CD1 4.01Å; L95-I119 HydrophobicContact CB-CG1 4.16Å |
| 96 | G | 93.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 151.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T70 R71 E115 | T70-G96 CarbonylContact C-O 3.6Å; T70-G96 VanDerWaalsContact CA-O 3.28Å; T70-G96 WeakPolarHBondContact CA-O 3.48Å; R71-G96 PolarHBondContact N-O 2.96Å; R71-G96 PolarHBondContact O-N 3.27Å; G96-E115 CarbonylContact C-O 3.56Å; G96-E115 VanDerWaalsContact CA-O 3.3Å; G96-E115 WeakPolarHBondContact CA-O 3.34Å |
| 97 | K | 93.7 | Very high | 85.7 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 158.2 | 176.5 | 67.8 | 174.8 | 172.8 | 151.6 | 0 | 111.6 | M69 E115 V117 Y1029 E1040 | M69-K97 CarbonylContact O-C 3.51Å; M69-K97 WeakPolarHBondContact O-CA 3.29Å; K97-E115 WeakPolarHBondContact CE-OE1 3.23Å; K97-E115 WeakPolarHBondContact CE-OE2 3.48Å; K97-E115 HydrophobicContact CG-CB 4.06Å; K97-E115 PolarHBondContact N-O 3Å; K97-E115 VanDerWaalsContact NZ-CD 3.27Å; K97-E115 IonicContact NZ-OE1 3.86Å; K97-E115 PolarHBondContact NZ-OE1 2.85Å; K97-E115 IonicContact NZ-OE2 3.82Å; K97-E115 PolarHBondContact NZ-OE2 2.82Å; K97-E115 PolarHBondContact O-N 2.9Å; K97-V117 HydrophobicContact CB-CG2 4Å; K97-V117 HydrophobicContact CD-CG2 3.73Å; K97-V117 HydrophobicContact CG-CG2 3.63Å; K97-Y1029 HydrophobicContact CB-CD2 3.92Å; K97-Y1029 HydrophobicContact CB-CE2 3.91Å; K97-Y1029 HydrophobicContact CB-CG 4.28Å; K97-Y1029 HydrophobicContact CD-CD1 3.43Å; K97-Y1029 VanDerWaalsContact CD-CD1 3.43Å; K97-Y1029 HydrophobicContact CD-CD2 4.29Å; K97-Y1029 HydrophobicContact CD-CE1 3.52Å; K97-Y1029 HydrophobicContact CD-CE2 4.35Å; K97-Y1029 HydrophobicContact CD-CG 3.86Å; K97-E1040 IonicContact NZ-OE1 2.82Å; K97-E1040 PolarHBondContact NZ-OE1 2.92Å; K97-E1040 IonicContact NZ-OE2 3.79Å; K97-E1040 PolarHBondContact NZ-OE2 3.16Å |
| 98 | Q | 91.6 | Very high | 85.4 | Confident | 48 Ų | 48 | 52.6 Ų | 52.6 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 137.3 | 168.8 | -171.4 | 179.7 | 7.6 | 0 | 0 | 110.8 | M69 N101 L114 | M69-Q98 HydrophobicContact CB-CB 4.44Å; M69-Q98 HydrophobicContact CE-CB 4.11Å; M69-Q98 PolarHBondContact N-O 2.82Å; M69-Q98 PolarHBondContact O-N 3.31Å; Q98-N101 PolarHBondContact NE2-O 2.81Å; Q98-L114 HydrophobicContact CB-CD2 3.78Å |
| 99 | L | 91.3 | Very high | 84.9 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 100.5 | 173.3 | -69.6 | 172.7 | 0 | 0 | 0 | 110.4 | S68 I1027 E1040 | S68-L99 VanDerWaalsContact OG-CD2 3.31Å; S68-L99 WeakPolarHBondContact OG-CD2 3.45Å; L99-I1027 HydrophobicContact CB-CD1 4.35Å; L99-I1027 HydrophobicContact CD2-CB 4.38Å; L99-I1027 HydrophobicContact CD2-CD1 4.21Å; L99-I1027 HydrophobicContact CD2-CG1 4.37Å; L99-E1040 HydrophobicContact CD1-CB 3.68Å; L99-E1040 WeakPolarHBondContact CD1-O 3.26Å |
| 100 | G | 86.4 | Confident | 84.6 | Confident | 3 Ų | 3 | 52.2 Ų | 52.2 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.7 | -148.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q66 N67 | Q66-G100 VanDerWaalsContact CA-O 3.31Å; Q66-G100 WeakPolarHBondContact CA-O 3.48Å; N67-G100 PolarHBondContact N-O 2.8Å; N67-G100 PolarHBondContact ND2-O 2.81Å; N67-G100 PolarHBondContact O-N 2.79Å |
| 101 | N | 83 | Confident | 84.3 | Confident | 77 Ų | 77 | 53 Ų | 53 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 132.6 | -173.8 | -71.8 | -8.2 | 0 | 0 | 0 | 111.3 | Q66 Q98 E1047 | Q66-N101 WeakPolarHBondContact CG-OD1 3.42Å; Q98-N101 PolarHBondContact NE2-O 2.81Å; N101-E1047 PolarHBondContact ND2-OE1 2.83Å; N101-E1047 PolarHBondContact ND2-OE2 2.75Å; N101-E1047 PolarHBondContact OD1-OE1 2.94Å |
| 102 | S | 75.8 | Confident | 83.9 | Confident | 16 Ų | 16 | 58.3 Ų | 58.3 | 11% | 0.112 | 29% | 0.287 | C | S | . | . | trans | -109.2 | 133.7 | 170.5 | -177 | 0 | 0 | 0 | 0 | 109.1 | K57 N65 N67 D104 | K57-S102 VanDerWaalsContact NZ-CB 3.29Å; K57-S102 PolarHBondContact NZ-OG 2.84Å; N65-S102 PolarHBondContact O-N 2.87Å; N67-S102 WeakPolarHBondContact ND2-CB 3.42Å; S102-D104 VanDerWaalsContact C-N 3.33Å; S102-D104 PolarHBondContact O-N 2.76Å; S102-D104 PolarHBondContact OG-O 2.79Å | ||
| 103 | K | 67.8 | Low | 83.5 | Confident | 187 Ų | 187 | 57.6 Ų | 57.6 | 81% | 0.813 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -63.6 | -39.1 | -179.1 | -67.9 | 175.2 | -172.9 | 157.7 | 0 | 112.1 | E113 | K103-E113 IonicContact NZ-OE1 2.85Å; K103-E113 PolarHBondContact NZ-OE1 2.87Å |
| 104 | D | 68.6 | Low | 83.2 | Confident | 66 Ų | 66 | 57.2 Ų | 57.2 | 35% | 0.353 | 28% | 0.278 | S | S | . | . | trans | -125.4 | 141.9 | 178.3 | -155.5 | -44.1 | 0 | 0 | 0 | 110.5 | K57 S102 D106 E107 | K57-D104 PolarHBondContact NZ-O 3Å; S102-D104 VanDerWaalsContact C-N 3.33Å; S102-D104 PolarHBondContact O-N 2.76Å; S102-D104 PolarHBondContact OG-O 2.79Å; D104-D106 PolarHBondContact OD1-N 2.82Å; D104-E107 HydrophobicContact CB-CB 4.02Å; D104-E107 HydrophobicContact CB-CG 4.33Å | ||
| 105 | Q | 64.4 | Low | 83.1 | Confident | 50 Ų | 50 | 56.9 Ų | 56.9 | 23% | 0.234 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -84.9 | -24.4 | 176.6 | -68.7 | -160.9 | 0.5 | 0 | 0 | 112.9 | N65 | N65-Q105 PolarHBondContact OD1-NE2 2.83Š|
| 106 | D | 71.1 | Confident | 83.1 | Confident | 87 Ų | 87 | 61.1 Ų | 61.1 | 47% | 0.465 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -113 | -15.2 | -171.7 | -66.1 | -39.9 | 0 | 0 | 0 | 113.6 | D104 K316 K318 | D104-D106 PolarHBondContact OD1-N 2.82Å; D106-K316 IonicContact OD1-NZ 2.59Å; D106-K316 PolarHBondContact OD1-NZ 2.7Å; D106-K318 WeakPolarHBondContact O-CE 3.38Å; D106-K318 PolarHBondContact O-NZ 2.81Å |
| 107 | E | 75.3 | Confident | 82.9 | Confident | 113 Ų | 113 | 62 Ų | 62 | 53% | 0.528 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -85.4 | 153.1 | 175.5 | -66.1 | -169.6 | 167.7 | 0 | 0 | 113.7 | D104 | D104-E107 HydrophobicContact CB-CB 4.02Å; D104-E107 HydrophobicContact CB-CG 4.33Å |
| 108 | M | 84.6 | Confident | 82.6 | Confident | 52 Ų | 52 | 68.9 Ų | 68.9 | 26% | 0.256 | 35% | 0.347 | S | S | . | . | trans | -82.1 | 115.1 | 173.9 | -150.4 | -166 | -85.6 | 0 | 0 | 108.9 | N53 Q55 R71 K318 | N53-M108 HydrophobicContact CB-CE 4.28Å; N53-M108 HydrophobicContact CB-SD 3.61Å; Q55-M108 HydrophobicContact CB-CG 4Å; R71-M108 VanDerWaalsContact CZ-SD 3.53Å; R71-M108 PolarHBondContact NH1-SD 3.31Å; R71-M108 VanDerWaalsContact NH1-SD 3.39Å; R71-M108 PolarHBondContact NH2-SD 2.98Å; R71-M108 VanDerWaalsContact NH2-SD 3.43Å; M108-K318 HydrophobicContact CE-CB 3.96Å | ||
| 109 | A | 82 | Confident | 82.5 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 10% | 0.099 | 34% | 0.343 | C | S | . | . | trans | -69.2 | 134.7 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M69 R71 F111 | M69-A109 HydrophobicContact CE-CB 3.86Å; M69-A109 HydrophobicContact SD-CB 4.32Å; R71-A109 WeakPolarHBondContact CD-O 3.48Å; R71-A109 PolarHBondContact NH1-O 3.38Å; A109-F111 PolarHBondContact O-N 3.11Å | ||
| 110 | S | 84.9 | Confident | 82.3 | Confident | 45 Ų | 45 | 72 Ų | 72 | 32% | 0.315 | 36% | 0.359 | S | S | . | . | trans | -56.9 | 142.1 | -179.5 | 129.3 | 0 | 0 | 0 | 0 | 110.6 | E112 E113 | S110-E112 WeakPolarHBondContact CB-OE2 3.28Å; S110-E112 PolarHBondContact O-N 2.85Å; S110-E112 VanDerWaalsContact O-N 3.17Å; S110-E112 PolarHBondContact OG-N 3.43Å; S110-E112 PolarHBondContact OG-OE2 2.81Å; S110-E113 WeakPolarHBondContact O-CB 3.48Å; S110-E113 PolarHBondContact O-N 3.29Å | ||
| 111 | F | 86.9 | Confident | 82.4 | Confident | 23 Ų | 23 | 77.4 Ų | 77.4 | 10% | 0.101 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -62.2 | -28 | -174.3 | -169.2 | -86.8 | 0 | 0 | 0 | 111.4 | R71 T73 R94 A109 E113 L114 | R71-F111 HydrophobicContact CG-CD2 4.34Å; T73-F111 HydrophobicContact CG2-CD2 3.65Å; T73-F111 HydrophobicContact CG2-CE2 4.16Å; T73-F111 HydrophobicContact CG2-CG 4.49Å; R94-F111 HydrophobicContact CB-CE1 4.23Å; R94-F111 HydrophobicContact CB-CE2 3.93Å; R94-F111 HydrophobicContact CB-CZ 3.55Å; A109-F111 PolarHBondContact O-N 3.11Å; F111-E113 PolarHBondContact O-N 2.91Å; F111-L114 HydrophobicContact CD2-CD1 4.48Å; F111-L114 WeakPolarHBondContact O-CB 3.19Å; F111-L114 PolarHBondContact O-N 2.88Å; F111-L114 VanDerWaalsContact O-N 3.12Å |
| 112 | E | 85.8 | Confident | 82.6 | Confident | 147 Ų | 147 | 76.9 Ų | 76.9 | 69% | 0.687 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -66.6 | -17.8 | 176.2 | -59.3 | 71.1 | -152.7 | 0 | 0 | 113.3 | S110 L114 | S110-E112 WeakPolarHBondContact CB-OE2 3.28Å; S110-E112 PolarHBondContact O-N 2.85Å; S110-E112 VanDerWaalsContact O-N 3.17Å; S110-E112 PolarHBondContact OG-N 3.43Å; S110-E112 PolarHBondContact OG-OE2 2.81Å; E112-L114 VanDerWaalsContact C-N 3.34Å |
| 113 | E | 84.1 | Confident | 83.1 | Confident | 94 Ų | 94 | 77.7 Ų | 77.7 | 44% | 0.439 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -86 | -5 | 173.9 | -60.5 | -171.3 | 139.6 | 0 | 0 | 112.9 | K103 S110 F111 | K103-E113 IonicContact NZ-OE1 2.85Å; K103-E113 PolarHBondContact NZ-OE1 2.87Å; S110-E113 WeakPolarHBondContact O-CB 3.48Å; S110-E113 PolarHBondContact O-N 3.29Å; F111-E113 PolarHBondContact O-N 2.91Å |
| 114 | L | 88.7 | Confident | 84.2 | Confident | 11 Ų | 11 | 70 Ų | 70 | 6% | 0.058 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -105.6 | 148.4 | -175.3 | -53.8 | 176.2 | 0 | 0 | 0 | 111.5 | M69 R71 Q98 F111 E112 P116 | M69-L114 HydrophobicContact CE-CD2 3.56Å; R71-L114 HydrophobicContact CB-CD1 3.24Å; R71-L114 HydrophobicContact CG-CD1 4.05Å; Q98-L114 HydrophobicContact CB-CD2 3.78Å; F111-L114 HydrophobicContact CD2-CD1 4.48Å; F111-L114 WeakPolarHBondContact O-CB 3.19Å; F111-L114 PolarHBondContact O-N 2.88Å; F111-L114 VanDerWaalsContact O-N 3.12Å; E112-L114 VanDerWaalsContact C-N 3.34Å; L114-P116 WeakPolarHBondContact O-CD 3.13Å |
| 115 | E | 92.1 | Very high | 85.3 | Confident | 109 Ų | 109 | 73.2 Ų | 73.2 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 119.3 | 170.4 | -171.1 | -172.4 | 151.1 | 0 | 0 | 108.7 | G96 K97 | G96-E115 CarbonylContact C-O 3.56Å; G96-E115 VanDerWaalsContact CA-O 3.3Å; G96-E115 WeakPolarHBondContact CA-O 3.34Å; K97-E115 WeakPolarHBondContact CE-OE1 3.23Å; K97-E115 WeakPolarHBondContact CE-OE2 3.48Å; K97-E115 HydrophobicContact CG-CB 4.06Å; K97-E115 PolarHBondContact N-O 3Å; K97-E115 VanDerWaalsContact NZ-CD 3.27Å; K97-E115 IonicContact NZ-OE1 3.86Å; K97-E115 PolarHBondContact NZ-OE1 2.85Å; K97-E115 IonicContact NZ-OE2 3.82Å; K97-E115 PolarHBondContact NZ-OE2 2.82Å; K97-E115 PolarHBondContact O-N 2.9Å |
| 116 | P | 92.6 | Very high | 86.6 | Confident | 96 Ų | 96 | 71.9 Ų | 71.9 | 62% | 0.623 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 141.6 | 179.5 | 27.8 | -33.9 | 0 | 0 | 0 | 111 | L114 | L114-P116 WeakPolarHBondContact O-CD 3.13Å |
| 117 | V | 90.3 | Very high | 87.5 | Confident | 20 Ų | 20 | 68 Ų | 68 | 12% | 0.121 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 124.1 | 177.1 | -178 | 0 | 0 | 0 | 0 | 109.5 | L95 K97 I119 Y1029 R1031 | L95-V117 HydrophobicContact CB-CB 4.39Å; L95-V117 HydrophobicContact CD2-CB 3.96Å; L95-V117 HydrophobicContact CD2-CG1 4.04Å; L95-V117 HydrophobicContact CG-CB 4.1Å; L95-V117 PolarHBondContact O-N 3.35Å; K97-V117 HydrophobicContact CB-CG2 4Å; K97-V117 HydrophobicContact CD-CG2 3.73Å; K97-V117 HydrophobicContact CG-CG2 3.63Å; V117-I119 PolarHBondContact O-N 3.04Å; V117-Y1029 WeakPolarHBondContact CG1-OH 3.3Å; V117-Y1029 HydrophobicContact CG2-CE1 4.43Å; V117-R1031 HydrophobicContact CG1-CG 4.32Å |
| 118 | E | 88.2 | Confident | 88.4 | Confident | 154 Ų | 154 | 65.2 Ų | 65.2 | 72% | 0.72 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 124.5 | 174.2 | -69.3 | 179.6 | 174.3 | 0 | 0 | 111.9 | R1031 | E118-R1031 PolarHBondContact O-NE 3.08Å; E118-R1031 PolarHBondContact O-NH2 3.09Å; E118-R1031 IonicContact OE2-NH2 2.77Å |
| 119 | I | 88.2 | Confident | 88.7 | Confident | 25 Ų | 25 | 64.5 Ų | 64.5 | 13% | 0.128 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 138.1 | 172.3 | -53.7 | 173.1 | 0 | 0 | 0 | 108.2 | I93 L95 V117 D123 L124 I973 | I93-I119 HydrophobicContact CG2-CD1 3.73Å; L95-I119 HydrophobicContact CB-CD1 4.01Å; L95-I119 HydrophobicContact CB-CG1 4.16Å; V117-I119 PolarHBondContact O-N 3.04Å; I119-D123 HydrophobicContact CG2-CB 4.05Å; I119-L124 HydrophobicContact CB-CD1 4.34Å; I119-L124 HydrophobicContact CB-CD2 3.87Å; I119-L124 HydrophobicContact CB-CG 3.89Å; I119-L124 HydrophobicContact CD1-CD2 3.91Å; I119-L124 HydrophobicContact CG1-CD2 4.48Å; I119-L124 HydrophobicContact CG2-CD2 3.84Å; I119-L124 HydrophobicContact CG2-CG 3.74Å; I119-I973 HydrophobicContact CD1-CD1 4.35Å; I119-I973 HydrophobicContact CG2-CG2 4.1Å |
| 120 | K | 86.7 | Confident | 89.1 | Confident | 125 Ų | 125 | 64.7 Ų | 64.7 | 54% | 0.543 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 140 | 177.2 | -64.8 | -179.9 | 178 | -179.6 | 0 | 110 | S122 D123 L124 | K120-S122 PolarHBondContact O-N 3.39Å; K120-S122 VanDerWaalsContact O-N 3.15Å; K120-D123 HydrophobicContact CB-CB 4.45Å; K120-D123 PolarHBondContact O-N 2.9Å; K120-L124 PolarHBondContact O-N 3.19Å |
| 121 | Q | 89.1 | Confident | 89.4 | Confident | 117 Ų | 117 | 62.6 Ų | 62.6 | 55% | 0.547 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.3 | -32 | -179.7 | -166.3 | 62.8 | 34.8 | 0 | 0 | 113.1 | D123 K125 | Q121-D123 VanDerWaalsContact C-N 3.35Å; Q121-K125 WeakPolarHBondContact O-CG 3.42Å; Q121-K125 PolarHBondContact O-N 2.57Å; Q121-K125 VanDerWaalsContact O-N 3.11Å |
| 122 | S | 86.7 | Confident | 89.6 | Confident | 66 Ų | 66 | 62.2 Ų | 62.2 | 46% | 0.462 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 173.7 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | K120 K125 I126 | K120-S122 PolarHBondContact O-N 3.39Å; K120-S122 VanDerWaalsContact O-N 3.15Å; S122-K125 PolarHBondContact O-N 2.63Å; S122-I126 WeakPolarHBondContact O-CG1 3.46Å; S122-I126 PolarHBondContact O-N 3.41Å |
| 123 | D | 88.2 | Confident | 89.9 | Confident | 32 Ų | 32 | 55.3 Ų | 55.3 | 17% | 0.171 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -76.5 | -34.7 | -175.5 | -54.4 | -15.2 | 0 | 0 | 0 | 110.1 | I119 K120 Q121 I126 L127 W152 I973 | I119-D123 HydrophobicContact CG2-CB 4.05Å; K120-D123 HydrophobicContact CB-CB 4.45Å; K120-D123 PolarHBondContact O-N 2.9Å; Q121-D123 VanDerWaalsContact C-N 3.35Å; D123-I126 PolarHBondContact O-N 2.92Å; D123-L127 WeakPolarHBondContact O-CG 3.28Å; D123-L127 PolarHBondContact O-N 2.94Å; D123-L127 VanDerWaalsContact O-N 3.1Å; D123-W152 HydrophobicContact CB-CH2 4.06Å; D123-W152 HydrophobicContact CB-CZ2 4.07Å; D123-I973 HydrophobicContact CB-CG2 3.88Å |
| 124 | L | 90.7 | Very high | 90.2 | Very high | 26 Ų | 26 | 51.5 Ų | 51.5 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 170.9 | -74.7 | 174.3 | 0 | 0 | 0 | 111.7 | I93 I119 K120 I126 L127 E128 | I93-L124 HydrophobicContact CB-CD2 4.01Å; I93-L124 HydrophobicContact CD1-CD2 4.42Å; I93-L124 HydrophobicContact CG2-CD2 4.26Å; I119-L124 HydrophobicContact CB-CD1 4.34Å; I119-L124 HydrophobicContact CB-CD2 3.87Å; I119-L124 HydrophobicContact CB-CG 3.89Å; I119-L124 HydrophobicContact CD1-CD2 3.91Å; I119-L124 HydrophobicContact CG1-CD2 4.48Å; I119-L124 HydrophobicContact CG2-CD2 3.84Å; I119-L124 HydrophobicContact CG2-CG 3.74Å; K120-L124 PolarHBondContact O-N 3.19Å; L124-I126 VanDerWaalsContact C-N 3.27Å; L124-I126 PolarHBondContact O-N 2.74Å; L124-L127 PolarHBondContact O-N 3.09Å; L124-L127 VanDerWaalsContact O-N 3.16Å; L124-E128 WeakPolarHBondContact O-CG 3.37Å; L124-E128 PolarHBondContact O-N 2.94Å |
| 125 | K | 91.1 | Very high | 90.2 | Very high | 133 Ų | 133 | 52 Ų | 52 | 58% | 0.578 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.3 | -38.1 | 178.8 | -75.6 | 179.9 | 179 | -171.2 | 0 | 112.7 | Q121 S122 E128 L129 | Q121-K125 WeakPolarHBondContact O-CG 3.42Å; Q121-K125 PolarHBondContact O-N 2.57Å; Q121-K125 VanDerWaalsContact O-N 3.11Å; S122-K125 PolarHBondContact O-N 2.63Å; K125-E128 PolarHBondContact O-N 2.97Å; K125-L129 WeakPolarHBondContact O-CG 3.43Å; K125-L129 PolarHBondContact O-N 2.96Å |
| 126 | I | 90.6 | Very high | 89.8 | Confident | 22 Ų | 22 | 47.4 Ų | 47.4 | 11% | 0.113 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69 | -43.3 | 178.3 | -64.9 | 165.5 | 0 | 0 | 0 | 110.6 | S122 D123 L124 E128 L129 D149 E150 S153 K157 | S122-I126 WeakPolarHBondContact O-CG1 3.46Å; S122-I126 PolarHBondContact O-N 3.41Å; D123-I126 PolarHBondContact O-N 2.92Å; L124-I126 VanDerWaalsContact C-N 3.27Å; L124-I126 PolarHBondContact O-N 2.74Å; I126-E128 VanDerWaalsContact C-N 3.27Å; I126-E128 PolarHBondContact O-N 2.86Å; I126-L129 WeakPolarHBondContact O-CB 3.29Å; I126-L129 WeakPolarHBondContact O-CG 3.49Å; I126-L129 PolarHBondContact O-N 3.14Å; I126-D149 WeakPolarHBondContact CG2-OD1 3.29Å; I126-E150 HydrophobicContact CD1-CG 4.07Å; I126-E150 HydrophobicContact CG2-CB 4.14Å; I126-E150 HydrophobicContact CG2-CG 4.25Å; I126-S153 PolarHBondContact O-OG 2.83Å; I126-K157 PolarHBondContact O-NZ 3.02Å; I126-K157 VanDerWaalsContact O-NZ 3.07Å |
| 127 | L | 91.8 | Very high | 89.1 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -32.3 | 176.5 | -73.8 | 169.1 | 0 | 0 | 0 | 113.1 | I93 D123 L124 L129 W152 L156 K157 I973 | I93-L127 HydrophobicContact CD1-CB 3.52Å; I93-L127 HydrophobicContact CD1-CD1 4.1Å; I93-L127 HydrophobicContact CD1-CG 4.42Å; D123-L127 WeakPolarHBondContact O-CG 3.28Å; D123-L127 PolarHBondContact O-N 2.94Å; D123-L127 VanDerWaalsContact O-N 3.1Å; L124-L127 PolarHBondContact O-N 3.09Å; L124-L127 VanDerWaalsContact O-N 3.16Å; L127-L129 VanDerWaalsContact C-N 3.3Å; L127-L129 PolarHBondContact O-N 2.7Å; L127-W152 HydrophobicContact CD1-CH2 3.73Å; L127-W152 HydrophobicContact CD1-CZ3 3.93Å; L127-W152 HydrophobicContact CD2-CE3 4.43Å; L127-W152 HydrophobicContact CD2-CH2 3.85Å; L127-W152 HydrophobicContact CD2-CZ3 3.63Å; L127-W152 HydrophobicContact CG-CH2 3.57Å; L127-W152 HydrophobicContact CG-CZ2 4.49Å; L127-W152 HydrophobicContact CG-CZ3 3.87Å; L127-L156 HydrophobicContact CD2-CD1 3.86Å; L127-K157 WeakPolarHBondContact O-CE 3.44Å; L127-I973 HydrophobicContact CD1-CD1 4.28Å |
| 128 | E | 92.7 | Very high | 88.6 | Confident | 55 Ų | 55 | 49 Ų | 49 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -9.9 | 178.9 | -72.2 | 173.8 | 171.6 | 0 | 0 | 113.9 | R89 V90 I93 L124 K125 I126 | R89-E128 WeakPolarHBondContact CG-O 3.11Å; V90-E128 WeakPolarHBondContact O-CA 3.45Å; V90-E128 WeakPolarHBondContact O-CG 3.36Å; I93-E128 HydrophobicContact CD1-CG 4.27Å; L124-E128 WeakPolarHBondContact O-CG 3.37Å; L124-E128 PolarHBondContact O-N 2.94Å; K125-E128 PolarHBondContact O-N 2.97Å; I126-E128 VanDerWaalsContact C-N 3.27Å; I126-E128 PolarHBondContact O-N 2.86Å |
| 129 | L | 90.9 | Very high | 88.6 | Confident | 37 Ų | 37 | 44 Ų | 44 | 19% | 0.194 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -61.9 | 134.5 | 176.3 | -61 | 175 | 0 | 0 | 0 | 110.5 | K125 I126 L127 D148 D149 K157 | K125-L129 WeakPolarHBondContact O-CG 3.43Å; K125-L129 PolarHBondContact O-N 2.96Å; I126-L129 WeakPolarHBondContact O-CB 3.29Å; I126-L129 WeakPolarHBondContact O-CG 3.49Å; I126-L129 PolarHBondContact O-N 3.14Å; L127-L129 VanDerWaalsContact C-N 3.3Å; L127-L129 PolarHBondContact O-N 2.7Å; L129-D148 HydrophobicContact CD1-CB 4.3Å; L129-D149 HydrophobicContact CD1-CB 4.04Å; L129-K157 WeakPolarHBondContact O-CE 3.47Å; L129-K157 PolarHBondContact O-NZ 3.46Å |
| 130 | P | 90.9 | Very high | 88.7 | Confident | 15 Ų | 15 | 43.2 Ų | 43.2 | 10% | 0.097 | 22% | 0.215 | C | C | . | . | trans | -71.8 | 158.2 | -179.7 | 30.7 | -35.3 | 0 | 0 | 0 | 112 | I87 I88 F339 | I87-P130 HydrophobicContact CG2-CB 4.09Å; I88-P130 CarbonylContact O-C 3.53Å; I88-P130 VanDerWaalsContact O-CA 3.25Å; I88-P130 WeakPolarHBondContact O-CA 3.38Å; P130-F339 HydrophobicContact CB-CD2 4.47Å; P130-F339 HydrophobicContact CB-CE2 4.37Å; P130-F339 HydrophobicContact CG-CD2 4.18Å; P130-F339 HydrophobicContact CG-CE2 4.17Å | ||
| 131 | V | 91 | Very high | 88.7 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 134 | 173.7 | 54.8 | 0 | 0 | 0 | 0 | 108.9 | I87 I88 L143 F145 K157 I161 | I87-V131 WeakPolarHBondContact CA-O 3.33Å; I88-V131 HydrophobicContact CB-CG1 4.01Å; I88-V131 HydrophobicContact CG2-CG1 4.21Å; I88-V131 PolarHBondContact N-O 2.86Å; I88-V131 PolarHBondContact O-N 3.2Å; V131-L143 HydrophobicContact CG2-CD2 4.48Å; V131-F145 HydrophobicContact CB-CD1 4.08Å; V131-F145 HydrophobicContact CB-CE1 4.07Å; V131-F145 HydrophobicContact CG2-CD1 3.68Å; V131-F145 HydrophobicContact CG2-CE1 3.52Å; V131-F145 HydrophobicContact CG2-CG 4.27Å; V131-F145 HydrophobicContact CG2-CZ 3.99Å; V131-K157 HydrophobicContact CB-CD 4.48Å; V131-K157 HydrophobicContact CG1-CB 4.4Å; V131-K157 HydrophobicContact CG1-CD 4.24Å; V131-I161 HydrophobicContact CG1-CD1 3.75Å; V131-I161 HydrophobicContact CG2-CD1 4.08Å |
| 132 | E | 91 | Very high | 88.7 | Confident | 15 Ų | 15 | 39.8 Ų | 39.8 | 7% | 0.07 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 142.8 | 173.4 | -177.8 | 170.6 | -143.4 | 0 | 0 | 109.1 | R81 H85 F86 I87 L143 V144 F339 | R81-E132 IonicContact NH1-OE1 2.79Å; R81-E132 PolarHBondContact NH1-OE1 3.01Å; R81-E132 IonicContact NH1-OE2 3.71Å; H85-E132 IonicContact ND1-OE1 3.82Å; F86-E132 CarbonylContact O-C 3.58Å; F86-E132 VanDerWaalsContact O-CA 3.26Å; F86-E132 WeakPolarHBondContact O-CA 3.44Å; I87-E132 HydrophobicContact CG1-CB 4.14Å; I87-E132 HydrophobicContact CG1-CG 4.09Å; E132-L143 CarbonylContact O-C 3.55Å; E132-L143 WeakPolarHBondContact O-CA 3.16Å; E132-V144 HydrophobicContact CB-CB 4.26Å; E132-V144 PolarHBondContact N-O 2.91Å; E132-V144 VanDerWaalsContact N-O 3.13Å; E132-V144 PolarHBondContact O-N 3.09Å; E132-F339 HydrophobicContact CB-CD1 4.34Å; E132-F339 HydrophobicContact CB-CE1 4.15Å; E132-F339 HydrophobicContact CB-CE2 4.37Å; E132-F339 HydrophobicContact CB-CZ 4.17Å |
| 133 | F | 92.5 | Very high | 88.9 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 146.9 | 173.4 | 66.7 | -81.7 | 0 | 0 | 0 | 111.5 | L78 F86 I88 Y135 V140 D142 L143 I161 | L78-F133 HydrophobicContact CD1-CE1 3.87Å; L78-F133 HydrophobicContact CD1-CZ 3.84Å; F86-F133 HydrophobicContact CB-CD1 4.01Å; F86-F133 HydrophobicContact CB-CD2 4.28Å; F86-F133 HydrophobicContact CB-CE1 3.46Å; F86-F133 VanDerWaalsContact CB-CE1 3.46Å; F86-F133 HydrophobicContact CB-CE2 3.81Å; F86-F133 HydrophobicContact CB-CG 4.39Å; F86-F133 HydrophobicContact CB-CZ 3.37Å; F86-F133 HydrophobicContact CD1-CZ 4.49Å; F86-F133 HydrophobicContact CG-CE2 4.23Å; F86-F133 HydrophobicContact CG-CZ 4Å; F86-F133 PolarHBondContact N-O 3.25Å; F86-F133 PolarHBondContact O-N 3.25Å; I88-F133 HydrophobicContact CD1-CD1 4.32Å; I88-F133 HydrophobicContact CD1-CE1 3.48Å; I88-F133 VanDerWaalsContact CD1-CE1 3.48Å; I88-F133 HydrophobicContact CD1-CZ 4.09Å; I88-F133 HydrophobicContact CG1-CE1 3.85Å; F133-Y135 HydrophobicContact CE2-CD2 4.07Å; F133-Y135 AromaticContact CE2-CG 3.96Å; F133-Y135 HydrophobicContact CE2-CG 3.96Å; F133-V140 HydrophobicContact CB-CG1 4.23Å; F133-V140 HydrophobicContact CD2-CG1 4.11Å; F133-V140 HydrophobicContact CD2-CG2 3.93Å; F133-V140 HydrophobicContact CE2-CG2 4.12Å; F133-D142 CarbonylContact C-O 3.58Å; F133-D142 WeakPolarHBondContact CA-O 3.43Å; F133-D142 WeakPolarHBondContact CB-O 3.39Å; F133-L143 HydrophobicContact CB-CG 4.2Å; F133-I161 HydrophobicContact CD1-CD1 4.35Å; F133-I161 HydrophobicContact CG-CG2 4.46Å |
| 134 | T | 91.2 | Very high | 89.1 | Confident | 15 Ų | 15 | 35.8 Ų | 35.8 | 9% | 0.092 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 128.2 | 173.5 | -50.1 | 0 | 0 | 0 | 0 | 108.9 | E84 V140 Q141 D142 | E84-T134 HydrophobicContact CB-CG2 3.98Å; E84-T134 CarbonylContact O-C 3.6Å; E84-T134 WeakPolarHBondContact O-CA 3.36Å; T134-V140 WeakPolarHBondContact O-CA 3.25Å; T134-Q141 PolarHBondContact O-N 3.03Å; T134-D142 PolarHBondContact N-O 3Å |
| 135 | Y | 88.5 | Confident | 89 | Confident | 20 Ų | 20 | 34.6 Ų | 34.6 | 8% | 0.078 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 104.1 | -173.7 | -171 | -116.2 | 0 | 0 | 0 | 110.1 | E84 F86 F133 G138 Q139 V140 F164 | E84-Y135 PolarHBondContact O-N 3.1Å; F86-Y135 HydrophobicContact CD2-CD1 4.24Å; F86-Y135 HydrophobicContact CD2-CG 4.34Å; F86-Y135 AromaticContact CE2-CD1 3.72Å; F86-Y135 HydrophobicContact CE2-CD1 3.72Å; F86-Y135 HydrophobicContact CE2-CG 4.2Å; F86-Y135 AromaticContact CZ-CD1 3.9Å; F86-Y135 HydrophobicContact CZ-CD1 3.9Å; F133-Y135 HydrophobicContact CE2-CD2 4.07Å; F133-Y135 AromaticContact CE2-CG 3.96Å; F133-Y135 HydrophobicContact CE2-CG 3.96Å; Y135-G138 VanDerWaalsContact CE2-O 3.24Å; Y135-G138 WeakPolarHBondContact CE2-O 3.3Å; Y135-G138 VanDerWaalsContact CZ-CA 3.46Å; Y135-G138 WeakPolarHBondContact OH-CA 3.45Å; Y135-Q139 WeakPolarHBondContact CA-O 3.4Å; Y135-V140 HydrophobicContact CD2-CG2 3.77Å; Y135-V140 HydrophobicContact CE2-CG2 4.18Å; Y135-F164 VanDerWaalsContact CE2-O 3.3Å; Y135-F164 WeakPolarHBondContact CE2-O 3.2Å; Y135-F164 PolarHBondContact OH-O 2.87Å |
| 136 | A | 82.2 | Confident | 88.7 | Confident | 14 Ų | 14 | 29.8 Ų | 29.8 | 12% | 0.116 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | E84 G138 Q139 | E84-A136 HydrophobicContact CG-CB 4.37Å; A136-G138 PolarHBondContact O-N 3.4Å; A136-Q139 PolarHBondContact N-O 3.49Å; A136-Q139 WeakPolarHBondContact O-CA 3.26Å; A136-Q139 WeakPolarHBondContact O-CB 3.33Å; A136-Q139 PolarHBondContact O-N 2.88Å |
| 137 | E | 78.3 | Confident | 88.3 | Confident | 143 Ų | 143 | 33.7 Ų | 33.7 | 67% | 0.668 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 32.4 | 178.2 | -59.2 | 178.8 | -177 | 0 | 0 | 114.2 | Q139 | E137-Q139 VanDerWaalsContact C-N 3.3Å; E137-Q139 PolarHBondContact O-N 3.46Å |
| 138 | G | 81.2 | Confident | 87.9 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 5.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y135 A136 I166 | Y135-G138 VanDerWaalsContact CE2-O 3.24Å; Y135-G138 WeakPolarHBondContact CE2-O 3.3Å; Y135-G138 VanDerWaalsContact CZ-CA 3.46Å; Y135-G138 WeakPolarHBondContact OH-CA 3.45Å; A136-G138 PolarHBondContact O-N 3.4Å; G138-I166 CarbonylContact C-O 3.39Å; G138-I166 WeakPolarHBondContact CA-O 3.06Å; G138-I166 CarbonylContact O-C 3.59Å; G138-I166 VanDerWaalsContact O-C 3.3Å; G138-I166 PolarHBondContact O-N 3.45Å |
| 139 | Q | 87.7 | Confident | 87.7 | Confident | 50 Ų | 50 | 35.3 Ų | 35.3 | 23% | 0.234 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.2 | 179.6 | -52.5 | -161.7 | -62.5 | 0 | 0 | 112.2 | Y135 A136 E137 K167 | Y135-Q139 WeakPolarHBondContact CA-O 3.4Å; A136-Q139 PolarHBondContact N-O 3.49Å; A136-Q139 WeakPolarHBondContact O-CA 3.26Å; A136-Q139 WeakPolarHBondContact O-CB 3.33Å; A136-Q139 PolarHBondContact O-N 2.88Å; E137-Q139 VanDerWaalsContact C-N 3.3Å; E137-Q139 PolarHBondContact O-N 3.46Å; Q139-K167 HydrophobicContact CG-CB 4.22Å; Q139-K167 HydrophobicContact CG-CG 4.02Å |
| 140 | V | 91 | Very high | 87.5 | Confident | 9 Ų | 9 | 35 Ų | 35 | 6% | 0.055 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 120 | 164 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | F133 T134 Y135 L143 I161 Q165 | F133-V140 HydrophobicContact CB-CG1 4.23Å; F133-V140 HydrophobicContact CD2-CG1 4.11Å; F133-V140 HydrophobicContact CD2-CG2 3.93Å; F133-V140 HydrophobicContact CE2-CG2 4.12Å; T134-V140 WeakPolarHBondContact O-CA 3.25Å; Y135-V140 HydrophobicContact CD2-CG2 3.77Å; Y135-V140 HydrophobicContact CE2-CG2 4.18Å; V140-L143 HydrophobicContact CG1-CD1 3.86Å; V140-L143 HydrophobicContact CG1-CG 4.3Å; V140-I161 HydrophobicContact CB-CG2 4.47Å; V140-I161 HydrophobicContact CG1-CG2 3.93Å; V140-I161 HydrophobicContact CG2-CG2 3.82Å; V140-Q165 VanDerWaalsContact CG2-OE1 3.26Å |
| 141 | Q | 85.9 | Confident | 87.3 | Confident | 96 Ų | 96 | 34.8 Ų | 34.8 | 45% | 0.449 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -70 | -179.6 | -61.9 | -178.7 | 0.8 | 0 | 0 | 110.3 | T134 | T134-Q141 PolarHBondContact O-N 3.03Å |
| 142 | D | 89.3 | Confident | 87.2 | Confident | 73 Ų | 73 | 35.4 Ų | 35.4 | 39% | 0.39 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 143.4 | -177.8 | -65.3 | -45 | 0 | 0 | 0 | 111 | F133 T134 V346 | F133-D142 CarbonylContact C-O 3.58Å; F133-D142 WeakPolarHBondContact CA-O 3.43Å; F133-D142 WeakPolarHBondContact CB-O 3.39Å; T134-D142 PolarHBondContact N-O 3Å; D142-V346 HydrophobicContact CB-CG1 4.07Å |
| 143 | L | 91.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133.8 | 169.2 | -67.3 | 93.5 | 0 | 0 | 0 | 109.4 | V131 E132 F133 V140 F145 R158 I161 V346 S347 D348 L349 | V131-L143 HydrophobicContact CG2-CD2 4.48Å; E132-L143 CarbonylContact O-C 3.55Å; E132-L143 WeakPolarHBondContact O-CA 3.16Å; F133-L143 HydrophobicContact CB-CG 4.2Å; V140-L143 HydrophobicContact CG1-CD1 3.86Å; V140-L143 HydrophobicContact CG1-CG 4.3Å; L143-F145 HydrophobicContact CB-CD2 4.34Å; L143-F145 HydrophobicContact CB-CE2 3.68Å; L143-F145 HydrophobicContact CB-CZ 4.17Å; L143-F145 HydrophobicContact CD2-CE2 4.08Å; L143-F145 HydrophobicContact CD2-CZ 3.76Å; L143-R158 HydrophobicContact CD2-CG 4.09Å; L143-I161 HydrophobicContact CD2-CB 4.43Å; L143-I161 HydrophobicContact CD2-CD1 3.38Å; L143-I161 HydrophobicContact CD2-CG1 4.48Å; L143-I161 HydrophobicContact CD2-CG2 4.22Å; L143-I161 HydrophobicContact CG-CD1 4.44Å; L143-V346 CarbonylContact O-C 3.49Å; L143-V346 WeakPolarHBondContact O-CA 3.22Å; L143-S347 PolarHBondContact N-O 2.64Å; L143-S347 PolarHBondContact O-N 3Å; L143-D348 WeakPolarHBondContact CD1-O 3.39Å; L143-L349 HydrophobicContact CD1-CB 4.12Å; L143-L349 HydrophobicContact CD1-CD1 4.42Å |
| 144 | V | 90.8 | Very high | 87.3 | Confident | 15 Ų | 15 | 34.6 Ų | 34.6 | 9% | 0.091 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 108.2 | -179.3 | -170.1 | 0 | 0 | 0 | 0 | 108.3 | E132 F339 Q344 | E132-V144 HydrophobicContact CB-CB 4.26Å; E132-V144 PolarHBondContact N-O 2.91Å; E132-V144 VanDerWaalsContact N-O 3.13Å; E132-V144 PolarHBondContact O-N 3.09Å; V144-F339 HydrophobicContact CB-CE1 4.26Å; V144-F339 HydrophobicContact CG1-CE1 3.74Å; V144-F339 HydrophobicContact CG1-CZ 4.31Å; V144-F339 VanDerWaalsContact O-CZ 3.29Å; V144-F339 WeakPolarHBondContact O-CZ 3.14Å; V144-Q344 HydrophobicContact CG1-CB 3.61Å; V144-Q344 HydrophobicContact CG1-CG 3.86Å; V144-Q344 VanDerWaalsContact CG1-OE1 3.29Å |
| 145 | F | 89.3 | Confident | 87.5 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 149.1 | 177.9 | -64.5 | -83.4 | 0 | 0 | 0 | 111.3 | V131 L143 E154 K157 R158 R345 | V131-F145 HydrophobicContact CB-CD1 4.08Å; V131-F145 HydrophobicContact CB-CE1 4.07Å; V131-F145 HydrophobicContact CG2-CD1 3.68Å; V131-F145 HydrophobicContact CG2-CE1 3.52Å; V131-F145 HydrophobicContact CG2-CG 4.27Å; V131-F145 HydrophobicContact CG2-CZ 3.99Å; L143-F145 HydrophobicContact CB-CD2 4.34Å; L143-F145 HydrophobicContact CB-CE2 3.68Å; L143-F145 HydrophobicContact CB-CZ 4.17Å; L143-F145 HydrophobicContact CD2-CE2 4.08Å; L143-F145 HydrophobicContact CD2-CZ 3.76Å; F145-E154 HydrophobicContact CB-CG 4.26Å; F145-E154 HydrophobicContact CD1-CB 3.91Å; F145-E154 HydrophobicContact CD1-CG 3.62Å; F145-E154 HydrophobicContact CD2-CB 4.45Å; F145-E154 HydrophobicContact CD2-CG 4.21Å; F145-E154 HydrophobicContact CE1-CB 3.66Å; F145-E154 HydrophobicContact CE1-CG 3.94Å; F145-E154 HydrophobicContact CE2-CB 4.23Å; F145-E154 HydrophobicContact CE2-CG 4.49Å; F145-E154 HydrophobicContact CG-CB 4.3Å; F145-E154 HydrophobicContact CG-CG 3.76Å; F145-E154 HydrophobicContact CZ-CB 3.83Å; F145-E154 HydrophobicContact CZ-CG 4.36Å; F145-K157 HydrophobicContact CE1-CB 4.07Å; F145-K157 HydrophobicContact CE1-CD 4.23Å; F145-R158 VanDerWaalsContact CE2-NH2 3.33Å; F145-R158 HydrophobicContact CZ-CG 4.1Å; F145-R345 PolarHBondContact N-O 2.94Å; F145-R345 VanDerWaalsContact N-O 3.14Å; F145-R345 PolarHBondContact O-N 3.34Å |
| 146 | Q | 85.7 | Confident | 87.7 | Confident | 33 Ų | 33 | 33.8 Ų | 33.8 | 15% | 0.154 | 17% | 0.169 | C | C | . | . | trans | -66.6 | 150.2 | 170.5 | -65.1 | -168.6 | -16.6 | 0 | 0 | 111.2 | D148 D149 F339 P340 | Q146-D148 PolarHBondContact O-N 3.31Å; Q146-D149 WeakPolarHBondContact O-CB 3.41Å; Q146-D149 PolarHBondContact O-N 2.97Å; Q146-D149 VanDerWaalsContact O-N 3.12Å; Q146-F339 HydrophobicContact CG-CE2 3.91Å; Q146-F339 HydrophobicContact CG-CZ 4Å; Q146-P340 HydrophobicContact CG-CG 4.5Å | ||
| 147 | Q | 81.7 | Confident | 88.4 | Confident | 104 Ų | 104 | 33.4 Ų | 33.4 | 49% | 0.486 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -27.9 | -176.2 | -159.9 | 177.3 | 3.8 | 0 | 0 | 113.6 | G343 R373 | Q147-G343 VanDerWaalsContact CB-O 3.31Å; Q147-G343 WeakPolarHBondContact CB-O 3.23Å; Q147-G343 WeakPolarHBondContact CG-O 3.1Å; Q147-R373 PolarHBondContact O-NH1 3.25Å |
| 148 | D | 84.1 | Confident | 89.2 | Confident | 89 Ų | 89 | 26.6 Ų | 26.6 | 48% | 0.476 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.1 | 179.7 | -72.6 | -35.8 | 0 | 0 | 0 | 113.8 | L129 Q146 | L129-D148 HydrophobicContact CD1-CB 4.3Å; Q146-D148 PolarHBondContact O-N 3.31Å |
| 149 | D | 87 | Confident | 89.8 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.027 | 13% | 0.13 | C | C | . | . | trans | -68.7 | 145 | 175.4 | -152.6 | -6.9 | 0 | 0 | 0 | 110.8 | I126 L129 Q146 S153 E154 K157 R345 | I126-D149 WeakPolarHBondContact CG2-OD1 3.29Å; L129-D149 HydrophobicContact CD1-CB 4.04Å; Q146-D149 WeakPolarHBondContact O-CB 3.41Å; Q146-D149 PolarHBondContact O-N 2.97Å; Q146-D149 VanDerWaalsContact O-N 3.12Å; D149-S153 WeakPolarHBondContact OD1-CB 3.37Å; D149-S153 PolarHBondContact OD1-OG 3.12Å; D149-E154 HydrophobicContact CB-CG 4.2Å; D149-K157 IonicContact OD1-NZ 2.7Å; D149-K157 PolarHBondContact OD1-NZ 3.23Å; D149-K157 IonicContact OD2-NZ 3.04Å; D149-K157 PolarHBondContact OD2-NZ 3.4Å; D149-R345 PolarHBondContact O-NH2 3.18Å | ||
| 150 | E | 86.7 | Confident | 90.2 | Very high | 30 Ų | 30 | 24.1 Ų | 24.1 | 14% | 0.14 | 12% | 0.12 | C | C | . | . | trans | -103.6 | 147 | 179.4 | -67.6 | -169.1 | -178.5 | 0 | 0 | 110.7 | I126 W152 S153 E154 R378 | I126-E150 HydrophobicContact CD1-CG 4.07Å; I126-E150 HydrophobicContact CG2-CB 4.14Å; I126-E150 HydrophobicContact CG2-CG 4.25Å; E150-W152 VanDerWaalsContact C-N 3.27Å; E150-W152 VanDerWaalsContact CB-CD1 3.4Å; E150-W152 PolarHBondContact O-N 3.37Å; E150-W152 VanDerWaalsContact O-N 3.08Å; E150-W152 PolarHBondContact OE2-NE1 3.28Å; E150-S153 WeakPolarHBondContact O-CA 3.14Å; E150-S153 WeakPolarHBondContact O-CB 3.41Å; E150-S153 PolarHBondContact O-N 3.18Å; E150-E154 WeakPolarHBondContact O-CG 3.13Å; E150-E154 PolarHBondContact O-N 2.79Å; E150-R378 IonicContact OE2-CZ 2.68Å; E150-R378 IonicContact OE2-NE 3.27Å; E150-R378 PolarHBondContact OE2-NE 3.39Å; E150-R378 IonicContact OE2-NH2 3.77Å; E150-R378 PolarHBondContact OE2-NH2 2.88Å | ||
| 151 | E | 87.3 | Confident | 90.5 | Very high | 12 Ų | 12 | 23.7 Ų | 23.7 | 6% | 0.056 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -52 | -39.8 | -173.1 | -179.7 | 163.8 | 135.7 | 0 | 0 | 114.9 | S153 E154 N155 S352 T353 R354 D355 | E151-S153 VanDerWaalsContact C-N 3.32Å; E151-S153 PolarHBondContact O-N 3.37Å; E151-E154 WeakPolarHBondContact O-CB 3.44Å; E151-E154 PolarHBondContact O-N 3.44Å; E151-N155 WeakPolarHBondContact O-CB 3.41Å; E151-N155 VanDerWaalsContact O-CG 3.3Å; E151-N155 PolarHBondContact O-N 2.66Å; E151-N155 PolarHBondContact O-ND2 3.23Å; E151-S352 VanDerWaalsContact OE1-O 3.05Å; E151-T353 VanDerWaalsContact OE1-C 3.25Å; E151-T353 WeakPolarHBondContact OE1-CA 3.38Å; E151-T353 PolarHBondContact OE1-N 3.28Å; E151-R354 PolarHBondContact OE1-N 2.92Å; E151-R354 WeakPolarHBondContact OE2-CA 3.5Å; E151-R354 WeakPolarHBondContact OE2-CB 3.45Å; E151-R354 WeakPolarHBondContact OE2-CG 3.28Å; E151-R354 IonicContact OE2-CZ 3.08Å; E151-R354 PolarHBondContact OE2-N 3.5Å; E151-R354 IonicContact OE2-NE 3.92Å; E151-R354 PolarHBondContact OE2-NE 3.48Å; E151-R354 IonicContact OE2-NH2 2.86Å; E151-R354 PolarHBondContact OE2-NH2 2.92Å; E151-D355 WeakPolarHBondContact CB-OD1 3.43Å; E151-D355 PolarHBondContact OE1-N 3.49Å; E151-D355 PolarHBondContact OE2-N 2.8Å |
| 152 | W | 88.8 | Confident | 90.9 | Very high | 14 Ų | 14 | 19.1 Ų | 19.1 | 5% | 0.053 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.4 | -35.6 | 176.7 | 71.7 | -76.5 | 0 | 0 | 0 | 113.4 | D123 L127 E150 L156 P972 I973 | D123-W152 HydrophobicContact CB-CH2 4.06Å; D123-W152 HydrophobicContact CB-CZ2 4.07Å; L127-W152 HydrophobicContact CD1-CH2 3.73Å; L127-W152 HydrophobicContact CD1-CZ3 3.93Å; L127-W152 HydrophobicContact CD2-CE3 4.43Å; L127-W152 HydrophobicContact CD2-CH2 3.85Å; L127-W152 HydrophobicContact CD2-CZ3 3.63Å; L127-W152 HydrophobicContact CG-CH2 3.57Å; L127-W152 HydrophobicContact CG-CZ2 4.49Å; L127-W152 HydrophobicContact CG-CZ3 3.87Å; E150-W152 VanDerWaalsContact C-N 3.27Å; E150-W152 VanDerWaalsContact CB-CD1 3.4Å; E150-W152 PolarHBondContact O-N 3.37Å; E150-W152 VanDerWaalsContact O-N 3.08Å; E150-W152 PolarHBondContact OE2-NE1 3.28Å; W152-L156 HydrophobicContact CE3-CD1 3.72Å; W152-L156 HydrophobicContact CZ3-CD1 3.77Å; W152-L156 WeakPolarHBondContact O-CG 3.37Å; W152-L156 PolarHBondContact O-N 3.03Å; W152-L156 VanDerWaalsContact O-N 3.13Å; W152-P972 VanDerWaalsContact CB-CD 3.42Å; W152-P972 HydrophobicContact CB-CG 3.52Å; W152-P972 HydrophobicContact CD2-CB 4.15Å; W152-P972 HydrophobicContact CD2-CG 3.75Å; W152-P972 HydrophobicContact CE3-CG 4.31Å; W152-P972 HydrophobicContact CG-CB 4.25Å; W152-P972 HydrophobicContact CG-CG 3.39Å; W152-I973 HydrophobicContact CH2-CG2 3.57Å; W152-I973 HydrophobicContact CZ2-CG2 4.36Å; W152-I973 HydrophobicContact CZ3-CD1 4.14Å; W152-I973 HydrophobicContact CZ3-CG1 4.15Å; W152-I973 HydrophobicContact CZ3-CG2 3.76Å |
| 153 | S | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -73.8 | -43.3 | 176.2 | 160.8 | 0 | 0 | 0 | 0 | 109.3 | I126 D149 E150 E151 N155 L156 K157 | I126-S153 PolarHBondContact O-OG 2.83Å; D149-S153 WeakPolarHBondContact OD1-CB 3.37Å; D149-S153 PolarHBondContact OD1-OG 3.12Å; E150-S153 WeakPolarHBondContact O-CA 3.14Å; E150-S153 WeakPolarHBondContact O-CB 3.41Å; E150-S153 PolarHBondContact O-N 3.18Å; E151-S153 VanDerWaalsContact C-N 3.32Å; E151-S153 PolarHBondContact O-N 3.37Å; S153-N155 VanDerWaalsContact C-N 3.29Å; S153-N155 PolarHBondContact O-N 3.41Å; S153-L156 PolarHBondContact O-N 3.07Å; S153-K157 WeakPolarHBondContact O-CG 3.37Å; S153-K157 PolarHBondContact O-N 3.31Å; S153-K157 VanDerWaalsContact OG-CE 3.26Å; S153-K157 WeakPolarHBondContact OG-CE 3.44Å; S153-K157 PolarHBondContact OG-NZ 3.02Å |
| 154 | E | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -55.9 | -44.4 | 171.9 | -58.8 | 172.9 | -156.7 | 0 | 0 | 111.4 | F145 D149 E150 E151 K157 R158 R345 R354 | F145-E154 HydrophobicContact CB-CG 4.26Å; F145-E154 HydrophobicContact CD1-CB 3.91Å; F145-E154 HydrophobicContact CD1-CG 3.62Å; F145-E154 HydrophobicContact CD2-CB 4.45Å; F145-E154 HydrophobicContact CD2-CG 4.21Å; F145-E154 HydrophobicContact CE1-CB 3.66Å; F145-E154 HydrophobicContact CE1-CG 3.94Å; F145-E154 HydrophobicContact CE2-CB 4.23Å; F145-E154 HydrophobicContact CE2-CG 4.49Å; F145-E154 HydrophobicContact CG-CB 4.3Å; F145-E154 HydrophobicContact CG-CG 3.76Å; F145-E154 HydrophobicContact CZ-CB 3.83Å; F145-E154 HydrophobicContact CZ-CG 4.36Å; D149-E154 HydrophobicContact CB-CG 4.2Å; E150-E154 WeakPolarHBondContact O-CG 3.13Å; E150-E154 PolarHBondContact O-N 2.79Å; E151-E154 WeakPolarHBondContact O-CB 3.44Å; E151-E154 PolarHBondContact O-N 3.44Å; E154-K157 CarbonylContact O-C 3.51Å; E154-K157 WeakPolarHBondContact O-CB 3.49Å; E154-K157 PolarHBondContact O-N 2.97Å; E154-R158 WeakPolarHBondContact O-CG 3.45Å; E154-R158 PolarHBondContact O-N 3Å; E154-R158 IonicContact OE2-CZ 2.8Å; E154-R158 IonicContact OE2-NH1 2.74Å; E154-R158 PolarHBondContact OE2-NH1 2.83Å; E154-R158 IonicContact OE2-NH2 3.72Å; E154-R158 PolarHBondContact OE2-NH2 2.82Å; E154-R345 IonicContact OE1-CZ 3.74Å; E154-R345 IonicContact OE1-NH1 2.65Å; E154-R345 PolarHBondContact OE1-NH1 3.07Å; E154-R345 VanDerWaalsContact OE1-NH1 3.11Å; E154-R345 IonicContact OE1-NH2 3.39Å; E154-R345 PolarHBondContact OE1-NH2 3.1Å; E154-R354 VanDerWaalsContact CD-NH2 3.27Å; E154-R354 IonicContact OE1-NH2 2.71Å; E154-R354 PolarHBondContact OE1-NH2 3.44Å; E154-R354 IonicContact OE2-CZ 2.92Å; E154-R354 IonicContact OE2-NH1 3.14Å; E154-R354 IonicContact OE2-NH2 3.65Å; E154-R354 PolarHBondContact OE2-NH2 3.4Å |
| 155 | N | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -66.6 | -39.5 | 179.6 | -79 | -26.4 | 0 | 0 | 0 | 112.6 | E151 S153 K157 R158 G159 Y351 S352 G922 | E151-N155 WeakPolarHBondContact O-CB 3.41Å; E151-N155 VanDerWaalsContact O-CG 3.3Å; E151-N155 PolarHBondContact O-N 2.66Å; E151-N155 PolarHBondContact O-ND2 3.23Å; S153-N155 VanDerWaalsContact C-N 3.29Å; S153-N155 PolarHBondContact O-N 3.41Å; N155-K157 VanDerWaalsContact C-N 3.33Å; N155-R158 WeakPolarHBondContact O-CB 3.46Å; N155-R158 PolarHBondContact O-N 3.21Å; N155-R158 PolarHBondContact OD1-NH1 3.44Å; N155-G159 PolarHBondContact O-N 3.33Å; N155-Y351 HydrophobicContact CB-CD2 3.88Å; N155-Y351 HydrophobicContact CB-CE2 3.55Å; N155-Y351 VanDerWaalsContact CG-CE2 3.45Å; N155-Y351 WeakPolarHBondContact ND2-CE2 3.39Å; N155-Y351 PolarHBondContact ND2-OH 3.4Å; N155-S352 PolarHBondContact ND2-O 2.99Å; N155-S352 PolarHBondContact OD1-N 3.38Å; N155-G922 WeakPolarHBondContact O-CA 3.47Å |
| 156 | L | 94.1 | Very high | 91.5 | Very high | 18 Ų | 18 | 15.3 Ų | 15.3 | 9% | 0.094 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 170.9 | -74.4 | 171.4 | 0 | 0 | 0 | 111.6 | L127 W152 S153 G159 I160 T971 | L127-L156 HydrophobicContact CD2-CD1 3.86Å; W152-L156 HydrophobicContact CE3-CD1 3.72Å; W152-L156 HydrophobicContact CZ3-CD1 3.77Å; W152-L156 WeakPolarHBondContact O-CG 3.37Å; W152-L156 PolarHBondContact O-N 3.03Å; W152-L156 VanDerWaalsContact O-N 3.13Å; S153-L156 PolarHBondContact O-N 3.07Å; L156-G159 PolarHBondContact O-N 2.7Å; L156-I160 PolarHBondContact O-N 2.75Å; L156-I160 VanDerWaalsContact O-N 3.07Å; L156-T971 HydrophobicContact CD2-CG2 4.27Å |
| 157 | K | 95.1 | Very high | 91.6 | Very high | 5 Ų | 5 | 14.7 Ų | 14.7 | 2% | 0.022 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 174.5 | -68.8 | 170.4 | -165.8 | 175.1 | 0 | 111.7 | I126 L127 L129 V131 F145 D149 S153 E154 N155 G159 I160 I161 | I126-K157 PolarHBondContact O-NZ 3.02Å; I126-K157 VanDerWaalsContact O-NZ 3.07Å; L127-K157 WeakPolarHBondContact O-CE 3.44Å; L129-K157 WeakPolarHBondContact O-CE 3.47Å; L129-K157 PolarHBondContact O-NZ 3.46Å; V131-K157 HydrophobicContact CB-CD 4.48Å; V131-K157 HydrophobicContact CG1-CB 4.4Å; V131-K157 HydrophobicContact CG1-CD 4.24Å; F145-K157 HydrophobicContact CE1-CB 4.07Å; F145-K157 HydrophobicContact CE1-CD 4.23Å; D149-K157 IonicContact OD1-NZ 2.7Å; D149-K157 PolarHBondContact OD1-NZ 3.23Å; D149-K157 IonicContact OD2-NZ 3.04Å; D149-K157 PolarHBondContact OD2-NZ 3.4Å; S153-K157 WeakPolarHBondContact O-CG 3.37Å; S153-K157 PolarHBondContact O-N 3.31Å; S153-K157 VanDerWaalsContact OG-CE 3.26Å; S153-K157 WeakPolarHBondContact OG-CE 3.44Å; S153-K157 PolarHBondContact OG-NZ 3.02Å; E154-K157 CarbonylContact O-C 3.51Å; E154-K157 WeakPolarHBondContact O-CB 3.49Å; E154-K157 PolarHBondContact O-N 2.97Å; N155-K157 VanDerWaalsContact C-N 3.33Å; K157-G159 VanDerWaalsContact C-N 3.28Å; K157-G159 PolarHBondContact O-N 3.25Å; K157-I160 PolarHBondContact O-N 3.5Å; K157-I160 VanDerWaalsContact O-N 3.13Å; K157-I161 WeakPolarHBondContact O-CB 3.41Å; K157-I161 VanDerWaalsContact O-CG1 3.29Å; K157-I161 WeakPolarHBondContact O-CG1 3.41Å; K157-I161 PolarHBondContact O-N 3.36Å |
| 158 | R | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -56.5 | -42.4 | 170.1 | -72 | 179.4 | -174 | 87.4 | 9.1 | 111 | L143 F145 E154 N155 I160 I161 N162 V205 S347 D348 L349 I350 | L143-R158 HydrophobicContact CD2-CG 4.09Å; F145-R158 VanDerWaalsContact CE2-NH2 3.33Å; F145-R158 HydrophobicContact CZ-CG 4.1Å; E154-R158 WeakPolarHBondContact O-CG 3.45Å; E154-R158 PolarHBondContact O-N 3Å; E154-R158 IonicContact OE2-CZ 2.8Å; E154-R158 IonicContact OE2-NH1 2.74Å; E154-R158 PolarHBondContact OE2-NH1 2.83Å; E154-R158 IonicContact OE2-NH2 3.72Å; E154-R158 PolarHBondContact OE2-NH2 2.82Å; N155-R158 WeakPolarHBondContact O-CB 3.46Å; N155-R158 PolarHBondContact O-N 3.21Å; N155-R158 PolarHBondContact OD1-NH1 3.44Å; R158-I160 PolarHBondContact O-N 3.28Å; R158-I161 PolarHBondContact O-N 2.92Å; R158-N162 WeakPolarHBondContact O-CB 3.36Å; R158-N162 PolarHBondContact O-N 3.42Å; R158-V205 HydrophobicContact CB-CG2 4.07Å; R158-S347 PolarHBondContact NH2-OG 2.92Å; R158-D348 PolarHBondContact NE-O 2.78Å; R158-L349 HydrophobicContact CB-CD1 4.36Å; R158-I350 WeakPolarHBondContact CD-O 3.47Å; R158-I350 PolarHBondContact NE-O 3.26Å |
| 159 | G | 95 | Very high | 90.8 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60.9 | -38.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N155 L156 K157 | N155-G159 PolarHBondContact O-N 3.33Å; L156-G159 PolarHBondContact O-N 2.7Å; K157-G159 VanDerWaalsContact C-N 3.28Å; K157-G159 PolarHBondContact O-N 3.25Å |
| 160 | I | 96.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 10 Ų | 10 | 2% | 0.021 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -71 | -46.4 | 174 | -65 | 169.8 | 0 | 0 | 0 | 110.6 | Y52 V76 V90 L156 K157 R158 N162 L163 | Y52-I160 HydrophobicContact CD1-CD1 4.22Å; Y52-I160 HydrophobicContact CD1-CG1 4.23Å; Y52-I160 HydrophobicContact CD2-CG1 4.31Å; Y52-I160 HydrophobicContact CE1-CD1 4.22Å; Y52-I160 HydrophobicContact CE1-CG1 3.95Å; Y52-I160 HydrophobicContact CE2-CG1 4.03Å; Y52-I160 HydrophobicContact CG-CG1 4.4Å; V76-I160 HydrophobicContact CG1-CG2 4.16Å; V76-I160 HydrophobicContact CG2-CD1 4.45Å; V76-I160 HydrophobicContact CG2-CG2 3.97Å; V90-I160 HydrophobicContact CG1-CD1 4.42Å; V90-I160 HydrophobicContact CG2-CD1 3.85Å; L156-I160 PolarHBondContact O-N 2.75Å; L156-I160 VanDerWaalsContact O-N 3.07Å; K157-I160 PolarHBondContact O-N 3.5Å; K157-I160 VanDerWaalsContact O-N 3.13Å; R158-I160 PolarHBondContact O-N 3.28Å; I160-N162 VanDerWaalsContact C-N 3.25Å; I160-N162 PolarHBondContact O-N 3.16Å; I160-L163 WeakPolarHBondContact O-CB 3.43Å; I160-L163 PolarHBondContact O-N 3.41Å; I160-L163 VanDerWaalsContact O-N 3.08Å |
| 161 | I | 95.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -63.1 | -33.2 | 179.3 | -69.5 | 167 | 0 | 0 | 0 | 111.4 | I88 V131 F133 V140 L143 K157 R158 L163 F164 L349 | I88-I161 HydrophobicContact CD1-CG1 3.76Å; V131-I161 HydrophobicContact CG1-CD1 3.75Å; V131-I161 HydrophobicContact CG2-CD1 4.08Å; F133-I161 HydrophobicContact CD1-CD1 4.35Å; F133-I161 HydrophobicContact CG-CG2 4.46Å; V140-I161 HydrophobicContact CB-CG2 4.47Å; V140-I161 HydrophobicContact CG1-CG2 3.93Å; V140-I161 HydrophobicContact CG2-CG2 3.82Å; L143-I161 HydrophobicContact CD2-CB 4.43Å; L143-I161 HydrophobicContact CD2-CD1 3.38Å; L143-I161 HydrophobicContact CD2-CG1 4.48Å; L143-I161 HydrophobicContact CD2-CG2 4.22Å; L143-I161 HydrophobicContact CG-CD1 4.44Å; K157-I161 WeakPolarHBondContact O-CB 3.41Å; K157-I161 VanDerWaalsContact O-CG1 3.29Å; K157-I161 WeakPolarHBondContact O-CG1 3.41Å; K157-I161 PolarHBondContact O-N 3.36Å; R158-I161 PolarHBondContact O-N 2.92Å; I161-L163 PolarHBondContact O-N 3.06Å; I161-L163 VanDerWaalsContact O-N 3.09Å; I161-F164 WeakPolarHBondContact O-CB 3.31Å; I161-F164 PolarHBondContact O-N 3.24Å; I161-L349 HydrophobicContact CB-CD1 4.22Å; I161-L349 HydrophobicContact CG2-CD1 3.88Å |
| 162 | N | 95.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | -58.1 | -23.5 | 175 | -174.5 | 68.5 | 0 | 0 | 0 | 112.6 | R158 I160 F164 Q165 V205 L349 | R158-N162 WeakPolarHBondContact O-CB 3.36Å; R158-N162 PolarHBondContact O-N 3.42Å; I160-N162 VanDerWaalsContact C-N 3.25Å; I160-N162 PolarHBondContact O-N 3.16Å; N162-F164 VanDerWaalsContact C-N 3.28Å; N162-F164 PolarHBondContact O-N 3.28Å; N162-Q165 WeakPolarHBondContact O-CB 3.28Å; N162-Q165 PolarHBondContact O-N 2.94Å; N162-V205 HydrophobicContact CB-CB 4.27Å; N162-V205 HydrophobicContact CB-CG1 4.21Å; N162-V205 PolarHBondContact OD1-N 2.96Å; N162-L349 HydrophobicContact CB-CD1 4.28Å; N162-L349 HydrophobicContact CB-CD2 4.47Å |
| 163 | L | 95.6 | Very high | 85.7 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | G | 310 helix | trans | -78 | -6.6 | 173.4 | -58.6 | -175.2 | 0 | 0 | 0 | 114 | Y52 I160 I161 I279 Y281 V295 L297 A319 L321 | Y52-L163 HydrophobicContact CD2-CD1 4.1Å; Y52-L163 HydrophobicContact CE2-CD1 3.71Å; I160-L163 WeakPolarHBondContact O-CB 3.43Å; I160-L163 PolarHBondContact O-N 3.41Å; I160-L163 VanDerWaalsContact O-N 3.08Å; I161-L163 PolarHBondContact O-N 3.06Å; I161-L163 VanDerWaalsContact O-N 3.09Å; L163-I279 HydrophobicContact CD2-CG2 4.36Å; L163-Y281 VanDerWaalsContact O-CE1 3.3Å; L163-Y281 WeakPolarHBondContact O-CE1 3.28Å; L163-V295 HydrophobicContact CB-CG1 4.21Å; L163-V295 HydrophobicContact CD2-CG1 4.05Å; L163-L297 HydrophobicContact CD2-CB 3.98Å; L163-L297 HydrophobicContact CD2-CD2 4.26Å; L163-A319 HydrophobicContact CD1-CB 4.47Å; L163-L321 HydrophobicContact CB-CD2 4.35Å; L163-L321 HydrophobicContact CD1-CB 3.96Å |
| 164 | F | 94.6 | Very high | 84.1 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 1% | 0.013 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -97.1 | -11.8 | 171 | -66.2 | -88.4 | 0 | 0 | 0 | 112.4 | F42 F50 L78 I88 Y135 I161 N162 I166 I292 L321 | F42-F164 HydrophobicContact CZ-CE1 4.46Å; F50-F164 HydrophobicContact CD2-CZ 4.3Å; F50-F164 HydrophobicContact CE2-CE1 4.05Å; F50-F164 HydrophobicContact CE2-CZ 4.16Å; F50-F164 HydrophobicContact CZ-CE1 4.04Å; F50-F164 HydrophobicContact CZ-CZ 4.47Å; L78-F164 HydrophobicContact CD2-CD1 4.4Å; L78-F164 HydrophobicContact CD2-CE1 3.76Å; L78-F164 HydrophobicContact CD2-CZ 4.28Å; I88-F164 HydrophobicContact CD1-CD2 4.08Å; I88-F164 HydrophobicContact CD1-CE2 3.67Å; I88-F164 HydrophobicContact CD1-CZ 4.31Å; Y135-F164 VanDerWaalsContact CE2-O 3.3Å; Y135-F164 WeakPolarHBondContact CE2-O 3.2Å; Y135-F164 PolarHBondContact OH-O 2.87Å; I161-F164 WeakPolarHBondContact O-CB 3.31Å; I161-F164 PolarHBondContact O-N 3.24Å; N162-F164 VanDerWaalsContact C-N 3.28Å; N162-F164 PolarHBondContact O-N 3.28Å; F164-I166 PolarHBondContact O-N 3.39Å; F164-I292 HydrophobicContact CD1-CD1 3.92Å; F164-L321 HydrophobicContact CD2-CD2 4.4Å; F164-L321 HydrophobicContact CE1-CD2 4Å; F164-L321 HydrophobicContact CE2-CD2 3.7Å; F164-L321 HydrophobicContact CZ-CD2 3.48Å; F164-L321 VanDerWaalsContact CZ-CD2 3.48Å |
| 165 | Q | 92.8 | Very high | 82.5 | Confident | 4 Ų | 4 | 28.3 Ų | 28.3 | 2% | 0.019 | 14% | 0.141 | C | C | . | . | trans | -73.5 | 106.5 | -177.9 | -171.1 | 81.6 | -31.9 | 0 | 0 | 111.8 | V140 N162 E202 K203 K236 Y281 L349 | V140-Q165 VanDerWaalsContact CG2-OE1 3.26Å; N162-Q165 WeakPolarHBondContact O-CB 3.28Å; N162-Q165 PolarHBondContact O-N 2.94Å; Q165-E202 HydrophobicContact CG-CG 4.42Å; Q165-E202 WeakPolarHBondContact CG-OE1 3.27Å; Q165-K203 PolarHBondContact NE2-O 3.35Å; Q165-K236 PolarHBondContact O-NZ 2.86Å; Q165-Y281 PolarHBondContact O-OH 2.83Å; Q165-Y281 VanDerWaalsContact O-OH 3.11Å; Q165-L349 HydrophobicContact CB-CD2 4.17Å; Q165-L349 HydrophobicContact CG-CD2 4.09Å | ||
| 166 | I | 90.4 | Very high | 81 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | -142.2 | 105.7 | -179.5 | -46.8 | 179 | 0 | 0 | 0 | 110.8 | G138 F164 L168 Y213 V234 Y281 I283 F290 I292 | G138-I166 CarbonylContact C-O 3.39Å; G138-I166 WeakPolarHBondContact CA-O 3.06Å; G138-I166 CarbonylContact O-C 3.59Å; G138-I166 VanDerWaalsContact O-C 3.3Å; G138-I166 PolarHBondContact O-N 3.45Å; F164-I166 PolarHBondContact O-N 3.39Å; I166-L168 HydrophobicContact CG2-CD1 4.36Å; I166-L168 HydrophobicContact CG2-CD2 3.58Å; I166-L168 HydrophobicContact CG2-CG 3.64Å; I166-L168 PolarHBondContact O-N 2.82Å; I166-Y213 HydrophobicContact CG2-CE1 3.95Å; I166-V234 HydrophobicContact CG2-CG1 4.41Å; I166-Y281 HydrophobicContact CD1-CD1 3.24Å; I166-Y281 HydrophobicContact CD1-CD2 4.38Å; I166-Y281 HydrophobicContact CD1-CE1 3.43Å; I166-Y281 VanDerWaalsContact CD1-CE1 3.43Å; I166-Y281 HydrophobicContact CD1-CG 3.77Å; I166-Y281 HydrophobicContact CG1-CD1 3.83Å; I166-Y281 HydrophobicContact CG1-CE1 3.45Å; I166-Y281 VanDerWaalsContact CG1-CE1 3.45Å; I166-Y281 HydrophobicContact CG1-CE2 4.3Å; I166-Y281 HydrophobicContact CG1-CG 4.38Å; I166-I283 HydrophobicContact CD1-CG2 4.31Å; I166-F290 HydrophobicContact CB-CZ 4.28Å; I166-F290 HydrophobicContact CD1-CE2 3.99Å; I166-I292 HydrophobicContact CD1-CD1 3.73Å; I166-I292 HydrophobicContact CD1-CG1 3.98Å | ||
| 167 | K | 86.5 | Confident | 79.5 | Confident | 20 Ų | 20 | 36.8 Ų | 36.8 | 9% | 0.087 | 18% | 0.181 | C | C | . | . | trans | -92 | 85.4 | 177.6 | -165.9 | -167.9 | -169.2 | 179 | 0 | 111.5 | Q139 Q169 T171 Y198 T200 Y213 | Q139-K167 HydrophobicContact CG-CB 4.22Å; Q139-K167 HydrophobicContact CG-CG 4.02Å; K167-Q169 VanDerWaalsContact C-N 3.28Å; K167-Q169 PolarHBondContact O-N 2.82Å; K167-T171 PolarHBondContact NZ-OG1 3.02Å; K167-Y198 PolarHBondContact O-OH 3.07Å; K167-T200 HydrophobicContact CB-CG2 4.47Å; K167-T200 HydrophobicContact CD-CG2 3.73Å; K167-T200 PolarHBondContact NZ-OG1 2.65Å; K167-Y213 HydrophobicContact CB-CE2 4.47Å; K167-Y213 PolarHBondContact N-OH 3.15Å; K167-Y213 VanDerWaalsContact N-OH 3.13Å | ||
| 168 | L | 80.9 | Confident | 78 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | trans | -76.4 | -7 | -175.3 | -68.5 | -177.2 | 0 | 0 | 0 | 116 | I166 Y198 V215 V234 I283 R287 F290 | I166-L168 HydrophobicContact CG2-CD1 4.36Å; I166-L168 HydrophobicContact CG2-CD2 3.58Å; I166-L168 HydrophobicContact CG2-CG 3.64Å; I166-L168 PolarHBondContact O-N 2.82Å; L168-Y198 WeakPolarHBondContact CA-OH 3.32Å; L168-Y198 PolarHBondContact O-OH 2.92Å; L168-V215 HydrophobicContact CD2-CG2 4.19Å; L168-V234 HydrophobicContact CD2-CG1 3.92Å; L168-V234 HydrophobicContact CD2-CG2 3.9Å; L168-I283 HydrophobicContact CD1-CD1 3.57Å; L168-R287 HydrophobicContact CB-CB 4.26Å; L168-F290 HydrophobicContact CD1-CD1 3.73Å; L168-F290 HydrophobicContact CD1-CE1 3.67Å; L168-F290 HydrophobicContact CD1-CG 4.32Å; L168-F290 HydrophobicContact CD1-CZ 4.21Å; L168-F290 HydrophobicContact CG-CE1 4.3Å | ||
| 169 | Q | 68.7 | Low | 76.6 | Confident | 88 Ų | 88 | 43.6 Ų | 43.6 | 41% | 0.411 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -113.6 | 120.3 | 178 | -62.2 | -174.9 | 5.9 | 0 | 0 | 109.4 | K167 T171 | K167-Q169 VanDerWaalsContact C-N 3.28Å; K167-Q169 PolarHBondContact O-N 2.82Å; Q169-T171 PolarHBondContact O-N 2.9Å |
| 170 | S | 62.7 | Low | 75.2 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | trans | -68.5 | 128.6 | 172.3 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | D172 S175 M176 | S170-D172 PolarHBondContact OG-N 3.22Å; S170-D172 PolarHBondContact OG-O 3.29Å; S170-S175 WeakPolarHBondContact OG-CB 3.27Å; S170-M176 VanDerWaalsContact O-CG 3.31Å; S170-M176 WeakPolarHBondContact O-CG 3.45Å | ||
| 171 | T | 59 | Low | 73.6 | Confident | 94 Ų | 94 | 51.4 Ų | 51.4 | 58% | 0.577 | 26% | 0.256 | S | S | * | . | trans | -92.2 | -7.2 | 169.7 | 53.5 | 0 | 0 | 0 | 0 | 112.2 | K167 Q169 | K167-T171 PolarHBondContact NZ-OG1 3.02Å; Q169-T171 PolarHBondContact O-N 2.9Å | ||
| 172 | D | 61.4 | Low | 72 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 40% | 0.401 | 27% | 0.272 | S | S | . | . | trans | -90.1 | 124.6 | -178 | -172.7 | 12.1 | 0 | 0 | 0 | 110.2 | S170 T174 S175 M176 | S170-D172 PolarHBondContact OG-N 3.22Å; S170-D172 PolarHBondContact OG-O 3.29Å; D172-T174 VanDerWaalsContact CG-OG1 3.26Å; D172-T174 PolarHBondContact O-N 3.45Å; D172-T174 PolarHBondContact OD1-OG1 2.86Å; D172-T174 VanDerWaalsContact OD1-OG1 3.12Å; D172-T174 PolarHBondContact OD2-OG1 2.85Å; D172-T174 VanDerWaalsContact OD2-OG1 3.11Å; D172-S175 PolarHBondContact O-N 2.85Å; D172-M176 WeakPolarHBondContact O-CB 3.37Å; D172-M176 WeakPolarHBondContact O-CG 3.18Å; D172-M176 PolarHBondContact O-N 3.38Å | ||
| 173 | R | 59.7 | Low | 70.5 | Confident | 183 Ų | 183 | 56.5 Ų | 56.5 | 69% | 0.691 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | -172.5 | -69.1 | -177.6 | 77.1 | 119.1 | -0 | 112.1 | M176 E177 | R173-M176 HydrophobicContact CB-CE 4.41Å; R173-M176 HydrophobicContact CG-CE 4.01Å; R173-M176 PolarHBondContact O-N 2.95Å; R173-E177 WeakPolarHBondContact O-CB 3.29Å; R173-E177 VanDerWaalsContact O-CG 3.29Å; R173-E177 WeakPolarHBondContact O-CG 3.31Å; R173-E177 PolarHBondContact O-N 2.59Å |
| 174 | T | 59.5 | Low | 68.9 | Low | 77 Ų | 77 | 61.1 Ų | 61.1 | 47% | 0.472 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 177 | 40.2 | 0 | 0 | 0 | 0 | 111.3 | D172 M176 E177 E178 | D172-T174 VanDerWaalsContact CG-OG1 3.26Å; D172-T174 PolarHBondContact O-N 3.45Å; D172-T174 PolarHBondContact OD1-OG1 2.86Å; D172-T174 VanDerWaalsContact OD1-OG1 3.12Å; D172-T174 PolarHBondContact OD2-OG1 2.85Å; D172-T174 VanDerWaalsContact OD2-OG1 3.11Å; T174-M176 VanDerWaalsContact C-N 3.34Å; T174-M176 PolarHBondContact O-N 2.78Å; T174-E177 PolarHBondContact O-N 3Å; T174-E178 WeakPolarHBondContact O-CB 3.4Å; T174-E178 WeakPolarHBondContact O-CG 3.18Å; T174-E178 PolarHBondContact O-N 3.08Å |
| 175 | S | 59.6 | Low | 67.1 | Low | 10 Ų | 10 | 70.9 Ų | 70.9 | 7% | 0.07 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 177.4 | -63.6 | 0 | 0 | 0 | 0 | 112.3 | S170 D172 E179 R199 | S170-S175 WeakPolarHBondContact OG-CB 3.27Å; D172-S175 PolarHBondContact O-N 2.85Å; S175-E179 VanDerWaalsContact O-CB 3.24Å; S175-E179 WeakPolarHBondContact O-CB 3.23Å; S175-E179 PolarHBondContact O-N 2.89Å; S175-R199 PolarHBondContact OG-O 3.49Å |
| 176 | M | 62.6 | Low | 65.2 | Low | 81 Ų | 81 | 73 Ų | 73 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 172.3 | -75.7 | -171 | -70.3 | 0 | 0 | 111.7 | S170 D172 R173 T174 E179 Q180 | S170-M176 VanDerWaalsContact O-CG 3.31Å; S170-M176 WeakPolarHBondContact O-CG 3.45Å; D172-M176 WeakPolarHBondContact O-CB 3.37Å; D172-M176 WeakPolarHBondContact O-CG 3.18Å; D172-M176 PolarHBondContact O-N 3.38Å; R173-M176 HydrophobicContact CB-CE 4.41Å; R173-M176 HydrophobicContact CG-CE 4.01Å; R173-M176 PolarHBondContact O-N 2.95Å; T174-M176 VanDerWaalsContact C-N 3.34Å; T174-M176 PolarHBondContact O-N 2.78Å; M176-E179 PolarHBondContact O-N 2.88Å; M176-Q180 WeakPolarHBondContact O-CB 3.25Å; M176-Q180 PolarHBondContact O-N 2.87Å |
| 177 | E | 63.2 | Low | 63.3 | Low | 115 Ų | 115 | 80 Ų | 80 | 54% | 0.537 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 178.3 | -76 | 168.6 | -169.4 | 0 | 0 | 111.9 | R173 T174 S181 | R173-E177 WeakPolarHBondContact O-CB 3.29Å; R173-E177 VanDerWaalsContact O-CG 3.29Å; R173-E177 WeakPolarHBondContact O-CG 3.31Å; R173-E177 PolarHBondContact O-N 2.59Å; T174-E177 PolarHBondContact O-N 3Å; E177-S181 WeakPolarHBondContact O-CB 3.44Å; E177-S181 PolarHBondContact O-N 2.74Å; E177-S181 PolarHBondContact O-OG 3.2Å |
| 178 | E | 64.2 | Low | 61.3 | Low | 132 Ų | 132 | 84.7 Ų | 84.7 | 62% | 0.617 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.8 | -44.6 | 173.8 | -75 | 178.3 | 179.1 | 0 | 0 | 111.8 | T174 S181 A182 | T174-E178 WeakPolarHBondContact O-CB 3.4Å; T174-E178 WeakPolarHBondContact O-CG 3.18Å; T174-E178 PolarHBondContact O-N 3.08Å; E178-S181 PolarHBondContact O-N 3.36Å; E178-A182 WeakPolarHBondContact O-CB 3.35Å; E178-A182 PolarHBondContact O-N 3.34Å |
| 179 | E | 65.2 | Low | 59.2 | Low | 17 Ų | 17 | 92.7 Ų | 92.7 | 8% | 0.079 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -65.3 | -45.3 | 176.5 | -179.8 | 168.7 | -147.8 | 0 | 0 | 111.6 | S175 M176 S181 A182 L183 T196 R287 | S175-E179 VanDerWaalsContact O-CB 3.24Å; S175-E179 WeakPolarHBondContact O-CB 3.23Å; S175-E179 PolarHBondContact O-N 2.89Å; M176-E179 PolarHBondContact O-N 2.88Å; E179-S181 VanDerWaalsContact C-N 3.29Å; E179-S181 PolarHBondContact O-N 3.42Å; E179-A182 WeakPolarHBondContact O-CB 3.37Å; E179-A182 PolarHBondContact O-N 3.19Å; E179-L183 HydrophobicContact CG-CD1 3.97Å; E179-L183 WeakPolarHBondContact O-CB 3.47Å; E179-L183 WeakPolarHBondContact O-CG 2.87Å; E179-L183 PolarHBondContact O-N 2.8Å; E179-T196 HydrophobicContact CG-CG2 4.1Å; E179-T196 WeakPolarHBondContact OE1-CB 3.31Å; E179-T196 PolarHBondContact OE1-OG1 2.95Å; E179-R287 IonicContact OE1-CZ 3.52Å; E179-R287 IonicContact OE1-NH1 3.02Å; E179-R287 PolarHBondContact OE1-NH1 3.25Å; E179-R287 IonicContact OE1-NH2 2.7Å; E179-R287 PolarHBondContact OE1-NH2 2.84Å; E179-R287 IonicContact OE2-NH1 3.43Å |
| 180 | Q | 65.5 | Low | 57.7 | Low | 107 Ų | 107 | 92.2 Ų | 92.2 | 50% | 0.5 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.8 | -36.9 | 176 | -159.9 | 74 | 39.6 | 0 | 0 | 110.8 | M176 L183 N184 | M176-Q180 WeakPolarHBondContact O-CB 3.25Å; M176-Q180 PolarHBondContact O-N 2.87Å; Q180-L183 PolarHBondContact O-N 3.24Å; Q180-N184 VanDerWaalsContact O-CB 3.24Å; Q180-N184 WeakPolarHBondContact O-CB 3.28Å; Q180-N184 PolarHBondContact O-N 3.09Å; Q180-N184 PolarHBondContact O-ND2 2.9Å; Q180-N184 PolarHBondContact O-OD1 2.76Å |
| 181 | S | 63.1 | Low | 56.8 | Low | 61 Ų | 61 | 102.4 Ų | 102.4 | 43% | 0.427 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 174.2 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | E177 E178 E179 R185 | E177-S181 WeakPolarHBondContact O-CB 3.44Å; E177-S181 PolarHBondContact O-N 2.74Å; E177-S181 PolarHBondContact O-OG 3.2Å; E178-S181 PolarHBondContact O-N 3.36Å; E179-S181 VanDerWaalsContact C-N 3.29Å; E179-S181 PolarHBondContact O-N 3.42Å; S181-R185 VanDerWaalsContact O-CG 3.3Å; S181-R185 WeakPolarHBondContact O-CG 3.38Å; S181-R185 PolarHBondContact O-N 2.78Å |
| 182 | A | 61.7 | Low | 55.9 | Low | 39 Ų | 39 | 101.7 Ų | 101.7 | 32% | 0.322 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.3 | -45.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E178 E179 R185 I186 | E178-A182 WeakPolarHBondContact O-CB 3.35Å; E178-A182 PolarHBondContact O-N 3.34Å; E179-A182 WeakPolarHBondContact O-CB 3.37Å; E179-A182 PolarHBondContact O-N 3.19Å; A182-R185 PolarHBondContact O-N 3Å; A182-I186 WeakPolarHBondContact O-CD1 3.35Å; A182-I186 VanDerWaalsContact O-CG1 3.29Å; A182-I186 WeakPolarHBondContact O-CG1 3.36Å |
| 183 | L | 63.8 | Low | 55.5 | Low | 67 Ų | 67 | 101.9 Ų | 101.9 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 175.3 | -73.1 | 165.8 | 0 | 0 | 0 | 111.9 | E179 Q180 R185 I186 T196 | E179-L183 HydrophobicContact CG-CD1 3.97Å; E179-L183 WeakPolarHBondContact O-CB 3.47Å; E179-L183 WeakPolarHBondContact O-CG 2.87Å; E179-L183 PolarHBondContact O-N 2.8Å; Q180-L183 PolarHBondContact O-N 3.24Å; L183-R185 VanDerWaalsContact C-N 3.27Å; L183-R185 PolarHBondContact O-N 2.94Å; L183-I186 WeakPolarHBondContact O-CB 3.41Å; L183-I186 PolarHBondContact O-N 2.92Å; L183-I186 VanDerWaalsContact O-N 3.12Å; L183-T196 HydrophobicContact CD2-CG2 4.17Å; L183-T196 HydrophobicContact CG-CG2 4.32Å |
| 184 | N | 61.8 | Low | 55.2 | Low | 98 Ų | 98 | 96.7 Ų | 96.7 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.2 | -23.1 | 179.8 | -67.9 | -8.7 | 0 | 0 | 0 | 113.3 | Q180 I186 | Q180-N184 VanDerWaalsContact O-CB 3.24Å; Q180-N184 WeakPolarHBondContact O-CB 3.28Å; Q180-N184 PolarHBondContact O-N 3.09Å; Q180-N184 PolarHBondContact O-ND2 2.9Å; Q180-N184 PolarHBondContact O-OD1 2.76Å; N184-I186 VanDerWaalsContact C-N 3.27Å |
| 185 | R | 56.1 | Low | 55.6 | Low | 208 Ų | 208 | 95 Ų | 95 | 79% | 0.785 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.1 | 174.2 | -80.1 | 174.6 | 177.2 | 168.2 | 1.7 | 113.3 | S181 A182 L183 | S181-R185 VanDerWaalsContact O-CG 3.3Å; S181-R185 WeakPolarHBondContact O-CG 3.38Å; S181-R185 PolarHBondContact O-N 2.78Å; A182-R185 PolarHBondContact O-N 3Å; L183-R185 VanDerWaalsContact C-N 3.27Å; L183-R185 PolarHBondContact O-N 2.94Å |
| 186 | I | 52.7 | Low | 56.5 | Low | 48 Ų | 48 | 95 Ų | 95 | 25% | 0.246 | 50% | 0.498 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | -24.6 | -174.1 | -61.6 | 155 | 0 | 0 | 0 | 111.4 | A182 L183 N184 T188 V194 | A182-I186 WeakPolarHBondContact O-CD1 3.35Å; A182-I186 VanDerWaalsContact O-CG1 3.29Å; A182-I186 WeakPolarHBondContact O-CG1 3.36Å; L183-I186 WeakPolarHBondContact O-CB 3.41Å; L183-I186 PolarHBondContact O-N 2.92Å; L183-I186 VanDerWaalsContact O-N 3.12Å; N184-I186 VanDerWaalsContact C-N 3.27Å; I186-T188 PolarHBondContact O-N 3.41Å; I186-T188 VanDerWaalsContact O-N 3.15Å; I186-V194 HydrophobicContact CD1-CB 3.42Å; I186-V194 VanDerWaalsContact CD1-CB 3.42Å; I186-V194 HydrophobicContact CD1-CG1 3.7Å; I186-V194 HydrophobicContact CD1-CG2 3.87Å; I186-V194 HydrophobicContact CG1-CB 3.94Å; I186-V194 HydrophobicContact CG1-CG1 4.26Å; I186-V194 HydrophobicContact CG1-CG2 3.79Å; I186-V194 HydrophobicContact CG2-CG2 4.24Å |
| 187 | D | 51.3 | Low | 57.5 | Low | 148 Ų | 148 | 93.4 Ų | 93.4 | 79% | 0.791 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -70.9 | -6.8 | -175.4 | -103.9 | -11.7 | 0 | 0 | 0 | 115 | ||
| 188 | T | 45.4 | Very low | 58.5 | Low | 119 Ų | 119 | 88.3 Ų | 88.3 | 73% | 0.73 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -97.7 | -35.3 | -178.8 | 35.3 | 0 | 0 | 0 | 0 | 115.4 | I186 | I186-T188 PolarHBondContact O-N 3.41Å; I186-T188 VanDerWaalsContact O-N 3.15Å |
| 189 | E | 36.3 | Very low | 59.5 | Low | 169 Ų | 169 | 89.4 Ų | 89.4 | 79% | 0.79 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -155.7 | 120.4 | -175.2 | -63.8 | -177.5 | 166.6 | 0 | 0 | 111.9 | ||
| 190 | S | 38 | Very low | 60.6 | Low | 79 Ų | 79 | 89 Ų | 89 | 55% | 0.552 | 47% | 0.472 | S | S | * | . | trans | 98.2 | 128.3 | 168.8 | 84.1 | 0 | 0 | 0 | 0 | 119 | T192 | S190-T192 PolarHBondContact O-N 3.41Å; S190-T192 PolarHBondContact OG-OG1 3.44Å | ||
| 191 | K | 42.5 | Very low | 61.7 | Low | 223 Ų | 223 | 88.8 Ų | 88.8 | 97% | 0.97 | 47% | 0.466 | S | S | * | . | trans | -66.4 | 56.4 | 166.7 | -68.3 | 179.8 | 173.7 | -178.4 | 0 | 111.7 | ||||
| 192 | T | 41.2 | Very low | 62.9 | Low | 79 Ų | 79 | 86 Ų | 86 | 49% | 0.485 | 45% | 0.447 | S | S | . | . | trans | -107.4 | 123.7 | 177.3 | 52.2 | 0 | 0 | 0 | 0 | 109.8 | S190 V194 | S190-T192 PolarHBondContact O-N 3.41Å; S190-T192 PolarHBondContact OG-OG1 3.44Å; T192-V194 WeakPolarHBondContact O-CG2 3.49Å; T192-V194 PolarHBondContact O-N 2.96Å | ||
| 193 | N | 52.8 | Low | 64.4 | Low | 80 Ų | 80 | 88.7 Ų | 88.7 | 43% | 0.428 | 45% | 0.451 | S | S | . | . | trans | -64.6 | 80.1 | 171.7 | -91.6 | -23.4 | 0 | 0 | 0 | 109.9 | G195 A217 D219 | N193-G195 PolarHBondContact O-N 2.86Å; N193-A217 HydrophobicContact CB-CB 4.36Å; N193-A217 WeakPolarHBondContact OD1-CB 3.17Å; N193-D219 PolarHBondContact ND2-OD1 3.46Å; N193-D219 PolarHBondContact ND2-OD2 2.82Å | ||
| 194 | V | 53.6 | Low | 65.7 | Low | 73 Ų | 73 | 85.5 Ų | 85.5 | 44% | 0.442 | 43% | 0.434 | S | S | . | . | trans | -78.7 | 120.6 | -179.8 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | I186 T192 | I186-V194 HydrophobicContact CD1-CB 3.42Å; I186-V194 VanDerWaalsContact CD1-CB 3.42Å; I186-V194 HydrophobicContact CD1-CG1 3.7Å; I186-V194 HydrophobicContact CD1-CG2 3.87Å; I186-V194 HydrophobicContact CG1-CB 3.94Å; I186-V194 HydrophobicContact CG1-CG1 4.26Å; I186-V194 HydrophobicContact CG1-CG2 3.79Å; I186-V194 HydrophobicContact CG2-CG2 4.24Å; T192-V194 WeakPolarHBondContact O-CG2 3.49Å; T192-V194 PolarHBondContact O-N 2.96Å | ||
| 195 | G | 66.9 | Low | 67.2 | Low | 42 Ų | 42 | 80.8 Ų | 80.8 | 43% | 0.433 | 41% | 0.409 | S | S | . | . | trans | -69.1 | 145.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | N193 V215 | N193-G195 PolarHBondContact O-N 2.86Å; G195-V215 CarbonylContact C-O 3.34Å; G195-V215 WeakPolarHBondContact CA-O 3.36Å | ||
| 196 | T | 78.3 | Confident | 68.9 | Low | 9 Ų | 9 | 70.9 Ų | 70.9 | 6% | 0.055 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 152.4 | 174.4 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | E179 L183 T214 V215 R287 | E179-T196 HydrophobicContact CG-CG2 4.1Å; E179-T196 WeakPolarHBondContact OE1-CB 3.31Å; E179-T196 PolarHBondContact OE1-OG1 2.95Å; L183-T196 HydrophobicContact CD2-CG2 4.17Å; L183-T196 HydrophobicContact CG-CG2 4.32Å; T196-T214 CarbonylContact O-C 3.55Å; T196-T214 VanDerWaalsContact O-CA 3.26Å; T196-T214 WeakPolarHBondContact O-CA 3.34Å; T196-V215 PolarHBondContact N-O 3.06Å; T196-V215 PolarHBondContact O-N 2.96Å; T196-R287 PolarHBondContact OG1-NH2 3.22Å |
| 197 | A | 83.7 | Confident | 70.7 | Confident | 49 Ų | 49 | 68.6 Ų | 68.6 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 139.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | M212 Y213 T214 | A197-M212 HydrophobicContact CB-CE 4.12Å; A197-Y213 CarbonylContact C-O 3.58Å; A197-Y213 WeakPolarHBondContact CA-O 3.26Å; A197-T214 HydrophobicContact CB-CG2 3.88Å |
| 198 | Y | 85 | Confident | 72.6 | Confident | 7 Ų | 7 | 64 Ų | 64 | 3% | 0.027 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 164.9 | 178 | 56.7 | -90.4 | 0 | 0 | 0 | 110.9 | K167 L168 M212 Y213 V215 | K167-Y198 PolarHBondContact O-OH 3.07Å; L168-Y198 WeakPolarHBondContact CA-OH 3.32Å; L168-Y198 PolarHBondContact O-OH 2.92Å; Y198-M212 WeakPolarHBondContact O-CA 3.31Å; Y198-Y213 AromaticContact CE2-CD2 3.81Å; Y198-Y213 HydrophobicContact CE2-CD2 3.81Å; Y198-Y213 AromaticContact CE2-CG 3.87Å; Y198-Y213 HydrophobicContact CE2-CG 3.87Å; Y198-Y213 VanDerWaalsContact CZ-CB 3.46Å; Y198-Y213 AromaticContact CZ-CG 3.88Å; Y198-Y213 PolarHBondContact N-O 3.27Å; Y198-Y213 PolarHBondContact O-N 2.85Å; Y198-V215 HydrophobicContact CE1-CG2 4.29Å |
| 199 | R | 85.7 | Confident | 74.8 | Confident | 155 Ų | 155 | 58.4 Ų | 58.4 | 59% | 0.585 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 146.9 | 175.5 | -69.1 | -177.3 | 179.3 | -163.3 | 1 | 110.6 | S175 T211 M212 | S175-R199 PolarHBondContact OG-O 3.49Å; R199-T211 CarbonylContact C-O 3.5Å; R199-T211 WeakPolarHBondContact CA-O 3.49Å; R199-M212 HydrophobicContact CG-CB 4.16Å; R199-M212 HydrophobicContact CG-CG 4.18Å |
| 200 | T | 87.9 | Confident | 77.4 | Confident | 9 Ų | 9 | 52.5 Ų | 52.5 | 6% | 0.055 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 155.3 | 175.9 | -160.8 | 0 | 0 | 0 | 0 | 110.3 | K167 T211 Y213 | K167-T200 HydrophobicContact CB-CG2 4.47Å; K167-T200 HydrophobicContact CD-CG2 3.73Å; K167-T200 PolarHBondContact NZ-OG1 2.65Å; T200-T211 PolarHBondContact N-O 3.3Å; T200-T211 PolarHBondContact O-N 3.46Å; T200-Y213 HydrophobicContact CG2-CD2 4.16Å; T200-Y213 HydrophobicContact CG2-CE2 3.91Å |
| 201 | R | 88.1 | Confident | 79.9 | Confident | 103 Ų | 103 | 48.8 Ų | 48.8 | 39% | 0.389 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 135.7 | 172.4 | -171.7 | 156.2 | -65.5 | 152.4 | 4.9 | 110.1 | E208 D210 | R201-E208 HydrophobicContact CG-CG 4.04Å; R201-D210 IonicContact CZ-OD1 3.14Å; R201-D210 IonicContact NE-OD1 2.71Å; R201-D210 PolarHBondContact NE-OD1 3.14Å; R201-D210 IonicContact NH2-OD1 2.9Å; R201-D210 PolarHBondContact NH2-OD1 3.22Å; R201-D210 IonicContact NH2-OD2 3.36Å; R201-D210 PolarHBondContact NH2-OD2 2.92Å |
| 202 | E | 89 | Confident | 82.3 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 138.7 | -170.7 | -160 | -175.1 | 145.3 | 0 | 0 | 112.3 | Q165 T204 E208 C209 Y213 K236 | Q165-E202 HydrophobicContact CG-CG 4.42Å; Q165-E202 WeakPolarHBondContact CG-OE1 3.27Å; E202-T204 HydrophobicContact CG-CG2 4.45Å; E202-E208 WeakPolarHBondContact O-CA 3.35Å; E202-C209 PolarHBondContact N-O 2.92Å; E202-C209 PolarHBondContact O-N 3.49Å; E202-C209 VanDerWaalsContact O-N 3.08Å; E202-Y213 VanDerWaalsContact CD-OH 3.31Å; E202-Y213 PolarHBondContact OE1-OH 2.76Å; E202-Y213 WeakPolarHBondContact OE2-CE2 3.21Å; E202-Y213 PolarHBondContact OE2-OH 3.48Å; E202-K236 WeakPolarHBondContact OE1-CE 3.41Å; E202-K236 IonicContact OE1-NZ 2.88Å; E202-K236 PolarHBondContact OE1-NZ 2.87Å; E202-K236 WeakPolarHBondContact OE2-CE 3.3Å; E202-K236 IonicContact OE2-NZ 3.96Å |
| 203 | K | 91.8 | Very high | 84.6 | Confident | 94 Ų | 94 | 38 Ų | 38 | 41% | 0.409 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.6 | 168.7 | -66.4 | -179.3 | -176.6 | 177 | 0 | 109.5 | Q165 E208 | Q165-K203 PolarHBondContact NE2-O 3.35Å; K203-E208 HydrophobicContact CG-CB 4.25Å; K203-E208 HydrophobicContact CG-CG 4.08Å |
| 204 | T | 92.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 171.8 | 177.5 | 69.6 | 0 | 0 | 0 | 0 | 109.6 | E202 E206 G207 I238 | E202-T204 HydrophobicContact CG-CG2 4.45Å; T204-E206 PolarHBondContact O-N 2.91Å; T204-E206 VanDerWaalsContact O-N 3.15Å; T204-E206 PolarHBondContact OG1-N 2.87Å; T204-G207 PolarHBondContact N-O 3.47Å; T204-G207 PolarHBondContact O-N 3.13Å; T204-G207 VanDerWaalsContact O-N 3.15Å; T204-G207 PolarHBondContact OG1-N 2.74Å; T204-G207 PolarHBondContact OG1-O 2.9Å; T204-I238 HydrophobicContact CG2-CD1 3.86Å |
| 205 | V | 93.3 | Very high | 88 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -27.1 | 174.7 | 72.2 | 0 | 0 | 0 | 0 | 113 | R158 N162 L349 Y351 | R158-V205 HydrophobicContact CB-CG2 4.07Å; N162-V205 HydrophobicContact CB-CB 4.27Å; N162-V205 HydrophobicContact CB-CG1 4.21Å; N162-V205 PolarHBondContact OD1-N 2.96Å; V205-L349 VanDerWaalsContact CA-O 3.31Å; V205-L349 WeakPolarHBondContact CA-O 3.49Å; V205-Y351 HydrophobicContact CG2-CD2 4.45Å; V205-Y351 VanDerWaalsContact O-CB 3.28Å; V205-Y351 WeakPolarHBondContact O-CB 3.26Å; V205-Y351 PolarHBondContact O-N 2.98Å; V205-Y351 VanDerWaalsContact O-N 3.07Å |
| 206 | E | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -10 | -177.9 | -62.3 | -177.2 | 95.8 | 0 | 0 | 113.9 | T204 M240 R246 P247 T277 N299 P918 A920 | T204-E206 PolarHBondContact O-N 2.91Å; T204-E206 VanDerWaalsContact O-N 3.15Å; T204-E206 PolarHBondContact OG1-N 2.87Å; E206-M240 HydrophobicContact CB-CE 4.06Å; E206-M240 HydrophobicContact CB-SD 4.33Å; E206-M240 HydrophobicContact CG-CE 4.3Å; E206-M240 WeakPolarHBondContact OE1-CE 3.48Å; E206-M240 WeakPolarHBondContact OE2-CE 3.24Å; E206-R246 PolarHBondContact O-NE 3.32Å; E206-P247 WeakPolarHBondContact O-CD 3.41Å; E206-T277 PolarHBondContact OE1-OG1 3.07Å; E206-T277 WeakPolarHBondContact OE2-CB 3.45Å; E206-T277 WeakPolarHBondContact OE2-CG2 3.45Å; E206-T277 PolarHBondContact OE2-OG1 3.21Å; E206-N299 PolarHBondContact OE1-ND2 3.4Å; E206-P918 HydrophobicContact CB-CG 4.47Å; E206-A920 HydrophobicContact CG-CB 4.46Å |
| 207 | G | 90.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.2 | -174.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | T204 R245 | T204-G207 PolarHBondContact N-O 3.47Å; T204-G207 PolarHBondContact O-N 3.13Å; T204-G207 VanDerWaalsContact O-N 3.15Å; T204-G207 PolarHBondContact OG1-N 2.74Å; T204-G207 PolarHBondContact OG1-O 2.9Å; G207-R245 CarbonylContact C-O 3.55Å; G207-R245 WeakPolarHBondContact CA-O 3.42Å |
| 208 | E | 91.5 | Very high | 88.2 | Confident | 52 Ų | 52 | 35.3 Ų | 35.3 | 24% | 0.243 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 106.6 | 173.8 | -176.5 | 168.5 | -161.6 | 0 | 0 | 109.4 | R201 E202 K203 C243 Q244 R245 | R201-E208 HydrophobicContact CG-CG 4.04Å; E202-E208 WeakPolarHBondContact O-CA 3.35Å; K203-E208 HydrophobicContact CG-CB 4.25Å; K203-E208 HydrophobicContact CG-CG 4.08Å; E208-C243 CarbonylContact O-C 3.5Å; E208-C243 WeakPolarHBondContact O-CA 3.49Å; E208-C243 WeakPolarHBondContact O-CB 3.26Å; E208-Q244 PolarHBondContact O-N 2.99Å; E208-R245 PolarHBondContact N-O 3.32Å |
| 209 | C | 91.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 159.7 | -164.9 | -49.3 | 0 | 0 | 0 | 0 | 111.8 | E202 T211 I238 C243 | E202-C209 PolarHBondContact N-O 2.92Å; E202-C209 PolarHBondContact O-N 3.49Å; E202-C209 VanDerWaalsContact O-N 3.08Å; C209-T211 PolarHBondContact O-OG1 2.61Å; C209-I238 HydrophobicContact CB-CG2 3.66Å; C209-C243 HydrophobicContact CB-CB 3.98Å; C209-C243 WeakPolarHBondContact CB-SG 3.36Å; C209-C243 WeakPolarHBondContact SG-CB 3.28Å; C209-C243 CovalentContact SG-SG 2.03Å; C209-C243 PolarHBondContact SG-SG 3.39Å |
| 210 | D | 90.7 | Very high | 85.8 | Confident | 45 Ų | 45 | 36.2 Ų | 36.2 | 24% | 0.241 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 131.1 | 169.6 | -60.2 | -20.9 | 0 | 0 | 0 | 109.6 | R201 D239 S242 | R201-D210 IonicContact CZ-OD1 3.14Å; R201-D210 IonicContact NE-OD1 2.71Å; R201-D210 PolarHBondContact NE-OD1 3.14Å; R201-D210 IonicContact NH2-OD1 2.9Å; R201-D210 PolarHBondContact NH2-OD1 3.22Å; R201-D210 IonicContact NH2-OD2 3.36Å; R201-D210 PolarHBondContact NH2-OD2 2.92Å; D210-D239 PolarHBondContact O-N 3.46Å; D210-S242 VanDerWaalsContact CB-OG 3.24Å; D210-S242 WeakPolarHBondContact CB-OG 3.42Å; D210-S242 PolarHBondContact N-OG 2.81Å; D210-S242 WeakPolarHBondContact OD2-CB 3.34Å |
| 211 | T | 91.4 | Very high | 84 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131.3 | -173.7 | -58.8 | 0 | 0 | 0 | 0 | 109.1 | R199 T200 C209 Y213 K236 A237 I238 | R199-T211 CarbonylContact C-O 3.5Å; R199-T211 WeakPolarHBondContact CA-O 3.49Å; T200-T211 PolarHBondContact N-O 3.3Å; T200-T211 PolarHBondContact O-N 3.46Å; C209-T211 PolarHBondContact O-OG1 2.61Å; T211-Y213 HydrophobicContact CG2-CD2 4.15Å; T211-Y213 HydrophobicContact CG2-CE2 3.65Å; T211-K236 HydrophobicContact CG2-CD 4.11Å; T211-K236 HydrophobicContact CG2-CG 3.42Å; T211-K236 VanDerWaalsContact CG2-CG 3.42Å; T211-A237 CarbonylContact C-O 3.56Å; T211-A237 WeakPolarHBondContact CA-O 3.48Å; T211-I238 HydrophobicContact CG2-CG1 4.24Å |
| 212 | M | 91.5 | Very high | 82.3 | Confident | 75 Ų | 75 | 45.8 Ų | 45.8 | 37% | 0.369 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.5 | 176.5 | -174.4 | 172.9 | 174.9 | 0 | 0 | 109.9 | A197 Y198 R199 T214 K236 A237 | A197-M212 HydrophobicContact CB-CE 4.12Å; Y198-M212 WeakPolarHBondContact O-CA 3.31Å; R199-M212 HydrophobicContact CG-CB 4.16Å; R199-M212 HydrophobicContact CG-CG 4.18Å; M212-T214 HydrophobicContact CE-CG2 4.33Å; M212-K236 CarbonylContact O-C 3.55Å; M212-K236 WeakPolarHBondContact O-CA 3.28Å; M212-A237 PolarHBondContact N-O 2.75Å; M212-A237 PolarHBondContact O-N 2.68Å |
| 213 | Y | 91 | Very high | 80.3 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.1 | 173.9 | -77 | -95.5 | 0 | 0 | 0 | 110.1 | I166 K167 A197 Y198 T200 E202 T211 V234 T235 K236 | I166-Y213 HydrophobicContact CG2-CE1 3.95Å; K167-Y213 HydrophobicContact CB-CE2 4.47Å; K167-Y213 PolarHBondContact N-OH 3.15Å; K167-Y213 VanDerWaalsContact N-OH 3.13Å; A197-Y213 CarbonylContact C-O 3.58Å; A197-Y213 WeakPolarHBondContact CA-O 3.26Å; Y198-Y213 AromaticContact CE2-CD2 3.81Å; Y198-Y213 HydrophobicContact CE2-CD2 3.81Å; Y198-Y213 AromaticContact CE2-CG 3.87Å; Y198-Y213 HydrophobicContact CE2-CG 3.87Å; Y198-Y213 VanDerWaalsContact CZ-CB 3.46Å; Y198-Y213 AromaticContact CZ-CG 3.88Å; Y198-Y213 PolarHBondContact N-O 3.27Å; Y198-Y213 PolarHBondContact O-N 2.85Å; T200-Y213 HydrophobicContact CG2-CD2 4.16Å; T200-Y213 HydrophobicContact CG2-CE2 3.91Å; E202-Y213 VanDerWaalsContact CD-OH 3.31Å; E202-Y213 PolarHBondContact OE1-OH 2.76Å; E202-Y213 WeakPolarHBondContact OE2-CE2 3.21Å; E202-Y213 PolarHBondContact OE2-OH 3.48Å; T211-Y213 HydrophobicContact CG2-CD2 4.15Å; T211-Y213 HydrophobicContact CG2-CE2 3.65Å; Y213-V234 HydrophobicContact CD1-CG1 3.73Å; Y213-V234 HydrophobicContact CE1-CG1 4.25Å; Y213-T235 CarbonylContact C-O 3.55Å; Y213-T235 VanDerWaalsContact CA-O 3.29Å; Y213-T235 WeakPolarHBondContact CA-O 3.35Å; Y213-K236 HydrophobicContact CD1-CB 4.35Å; Y213-K236 HydrophobicContact CE1-CB 4.04Å; Y213-K236 HydrophobicContact CE1-CD 4.2Å; Y213-K236 HydrophobicContact CE1-CG 4.15Å; Y213-K236 HydrophobicContact CE2-CG 4.42Å |
| 214 | T | 90.1 | Very high | 78.3 | Confident | 56 Ų | 56 | 52.6 Ų | 52.6 | 34% | 0.344 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.9 | 163 | 64.1 | 0 | 0 | 0 | 0 | 109.3 | T196 A197 M212 V234 T235 | T196-T214 CarbonylContact O-C 3.55Å; T196-T214 VanDerWaalsContact O-CA 3.26Å; T196-T214 WeakPolarHBondContact O-CA 3.34Å; A197-T214 HydrophobicContact CB-CG2 3.88Å; M212-T214 HydrophobicContact CE-CG2 4.33Å; T214-V234 CarbonylContact O-C 3.52Å; T214-V234 VanDerWaalsContact O-CA 3.3Å; T214-V234 WeakPolarHBondContact O-CA 3.01Å; T214-T235 PolarHBondContact N-O 3.26Å; T214-T235 PolarHBondContact O-N 3.2Å; T214-T235 WeakPolarHBondContact OG1-CB 3.2Å |
| 215 | V | 86.5 | Confident | 76.1 | Confident | 9 Ų | 9 | 57.3 Ų | 57.3 | 6% | 0.055 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 123 | -176.3 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | L168 G195 T196 Y198 M232 L233 V234 | L168-V215 HydrophobicContact CD2-CG2 4.19Å; G195-V215 CarbonylContact C-O 3.34Å; G195-V215 WeakPolarHBondContact CA-O 3.36Å; T196-V215 PolarHBondContact N-O 3.06Å; T196-V215 PolarHBondContact O-N 2.96Å; Y198-V215 HydrophobicContact CE1-CG2 4.29Å; V215-M232 HydrophobicContact CG1-CB 4.43Å; V215-M232 HydrophobicContact CG1-SD 4.16Å; V215-L233 WeakPolarHBondContact CA-O 3.42Å; V215-V234 HydrophobicContact CG1-CG2 4.22Å; V215-V234 HydrophobicContact CG2-CG1 4.29Å; V215-V234 HydrophobicContact CG2-CG2 4.23Å |
| 216 | S | 85.1 | Confident | 73.8 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 29% | 0.287 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 149.5 | 174.1 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | M232 L233 | S216-M232 CarbonylContact O-C 3.55Å; S216-M232 WeakPolarHBondContact O-CA 3.49Å; S216-L233 PolarHBondContact N-O 2.96Å; S216-L233 PolarHBondContact O-N 3.35Å |
| 217 | A | 75.4 | Confident | 71.7 | Confident | 40 Ų | 40 | 72.3 Ų | 72.3 | 33% | 0.331 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 154.8 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | N193 | N193-A217 HydrophobicContact CB-CB 4.36Å; N193-A217 WeakPolarHBondContact OD1-CB 3.17Å |
| 218 | I | 73.5 | Confident | 69.9 | Low | 52 Ų | 52 | 79.1 Ų | 79.1 | 27% | 0.267 | 42% | 0.424 | S | S | . | . | trans | -104.1 | 115.8 | 171.2 | -59.6 | 176.1 | 0 | 0 | 0 | 106 | D220 R231 L233 Q282 | I218-D220 PolarHBondContact O-N 3.04Å; I218-R231 HydrophobicContact CB-CB 4.02Å; I218-R231 HydrophobicContact CD1-CB 4.23Å; I218-R231 HydrophobicContact CG1-CB 4.46Å; I218-R231 PolarHBondContact N-O 2.72Å; I218-L233 HydrophobicContact CD1-CB 4.12Å; I218-L233 HydrophobicContact CG1-CB 3.99Å; I218-Q282 HydrophobicContact CD1-CG 4.33Å | ||
| 219 | D | 62.9 | Low | 68.3 | Low | 109 Ų | 109 | 78.5 Ų | 78.5 | 58% | 0.583 | 43% | 0.431 | S | S | * | . | trans | -66.6 | 101.8 | 172.9 | -73 | -54.4 | 0 | 0 | 0 | 109 | N193 D221 | N193-D219 PolarHBondContact ND2-OD1 3.46Å; N193-D219 PolarHBondContact ND2-OD2 2.82Å; D219-D221 VanDerWaalsContact C-N 3.31Å; D219-D221 PolarHBondContact O-N 3.39Å | ||
| 220 | D | 56.9 | Low | 67.2 | Low | 72 Ų | 72 | 82.8 Ų | 82.8 | 39% | 0.385 | 46% | 0.461 | S | S | . | . | trans | -82.4 | 81 | 167.6 | -76.6 | -35.8 | 0 | 0 | 0 | 107.2 | I218 D222 R231 | I218-D220 PolarHBondContact O-N 3.04Å; D220-D222 PolarHBondContact O-N 2.99Å; D220-R231 VanDerWaalsContact CG-NH1 3.31Å; D220-R231 IonicContact OD1-CZ 3.44Å; D220-R231 IonicContact OD1-NH1 2.82Å; D220-R231 PolarHBondContact OD1-NH1 3.08Å; D220-R231 WeakPolarHBondContact OD2-CD 3.37Å; D220-R231 IonicContact OD2-CZ 3.57Å; D220-R231 IonicContact OD2-NE 2.7Å; D220-R231 IonicContact OD2-NH1 3.41Å; D220-R231 PolarHBondContact OD2-NH1 3.02Å; D220-R231 VanDerWaalsContact OD2-NH1 3.14Å | ||
| 221 | D | 50.6 | Low | 66.7 | Low | 148 Ų | 148 | 84.2 Ų | 84.2 | 79% | 0.791 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 3.7 | 179.1 | -78.7 | -37.5 | 0 | 0 | 0 | 114.1 | D219 | D219-D221 VanDerWaalsContact C-N 3.31Å; D219-D221 PolarHBondContact O-N 3.39Å |
| 222 | D | 51 | Low | 66.5 | Low | 165 Ų | 165 | 85.2 Ų | 85.2 | 88% | 0.882 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132 | 6.9 | -166.7 | -77.2 | -39.5 | 0 | 0 | 0 | 116.5 | D220 | D220-D222 PolarHBondContact O-N 2.99Š|
| 223 | D | 48.4 | Very low | 66.4 | Low | 66 Ų | 66 | 83.9 Ų | 83.9 | 35% | 0.353 | 46% | 0.462 | S | S | . | . | trans | -126.7 | 96.4 | 179.9 | -146.6 | -2.9 | 0 | 0 | 0 | 112.5 | N225 R228 | D223-N225 PolarHBondContact O-N 2.78Å; D223-R228 IonicContact OD1-NH1 2.7Å; D223-R228 IonicContact OD2-CZ 2.81Å; D223-R228 IonicContact OD2-NH1 3.18Å; D223-R228 PolarHBondContact OD2-NH1 3.35Å | ||
| 224 | D | 48.6 | Very low | 66.5 | Low | 173 Ų | 173 | 83.9 Ų | 83.9 | 93% | 0.925 | 46% | 0.462 | S | S | * | . | trans | -62.1 | 7 | 173.8 | -105.4 | -23.3 | 0 | 0 | 0 | 114.2 | ||||
| 225 | N | 45.8 | Very low | 66.6 | Low | 99 Ų | 99 | 83 Ų | 83 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | trans | -102.4 | 87.8 | 179.2 | -75.7 | -55.1 | 0 | 0 | 0 | 111.7 | D223 E227 R228 | D223-N225 PolarHBondContact O-N 2.78Å; N225-E227 PolarHBondContact O-N 2.98Å; N225-R228 PolarHBondContact O-N 2.82Å | ||
| 226 | S | 45.4 | Very low | 67 | Low | 126 Ų | 126 | 82.6 Ų | 82.6 | 88% | 0.881 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -0.6 | 178.4 | 56 | 0 | 0 | 0 | 0 | 116.2 | ||
| 227 | E | 47.4 | Very low | 67.5 | Low | 189 Ų | 189 | 82.5 Ų | 82.5 | 88% | 0.883 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -11.5 | -180 | -69.8 | -167.9 | 159.1 | 0 | 0 | 115.1 | N225 G229 | N225-E227 PolarHBondContact O-N 2.98Å; E227-G229 VanDerWaalsContact C-N 3.33Å; E227-G229 PolarHBondContact O-N 3.19Å |
| 228 | R | 53 | Low | 68.3 | Low | 144 Ų | 144 | 81.1 Ų | 81.1 | 54% | 0.543 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -80.5 | -5 | -172 | -75 | -179.9 | 173.7 | 167.1 | 0.3 | 115.9 | D223 N225 R284 | D223-R228 IonicContact OD1-NH1 2.7Å; D223-R228 IonicContact OD2-CZ 2.81Å; D223-R228 IonicContact OD2-NH1 3.18Å; D223-R228 PolarHBondContact OD2-NH1 3.35Å; N225-R228 PolarHBondContact O-N 2.82Å; R228-R284 WeakPolarHBondContact O-CD 3.37Å |
| 229 | G | 57.2 | Low | 69 | Low | 38 Ų | 38 | 82.1 Ų | 82.1 | 39% | 0.392 | 45% | 0.449 | S | S | . | . | trans | 77.1 | 138.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E227 R231 | E227-G229 VanDerWaalsContact C-N 3.33Å; E227-G229 PolarHBondContact O-N 3.19Å; G229-R231 PolarHBondContact O-N 3.43Å | ||
| 230 | S | 68.7 | Low | 69.9 | Low | 91 Ų | 91 | 77.4 Ų | 77.4 | 64% | 0.636 | 42% | 0.423 | S | S | * | . | trans | -59.7 | 134.2 | -175.9 | -51.5 | 0 | 0 | 0 | 0 | 112.2 | G285 | S230-G285 PolarHBondContact O-N 2.75Å; S230-G285 VanDerWaalsContact O-N 3.15Å | ||
| 231 | R | 81.2 | Confident | 70.8 | Confident | 75 Ų | 75 | 80.4 Ų | 80.4 | 28% | 0.283 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 138.3 | 170.4 | -71.3 | -173 | 176.9 | 132.6 | 5.5 | 110.3 | I218 D220 G229 I283 E293 | I218-R231 HydrophobicContact CB-CB 4.02Å; I218-R231 HydrophobicContact CD1-CB 4.23Å; I218-R231 HydrophobicContact CG1-CB 4.46Å; I218-R231 PolarHBondContact N-O 2.72Å; D220-R231 VanDerWaalsContact CG-NH1 3.31Å; D220-R231 IonicContact OD1-CZ 3.44Å; D220-R231 IonicContact OD1-NH1 2.82Å; D220-R231 PolarHBondContact OD1-NH1 3.08Å; D220-R231 WeakPolarHBondContact OD2-CD 3.37Å; D220-R231 IonicContact OD2-CZ 3.57Å; D220-R231 IonicContact OD2-NE 2.7Å; D220-R231 IonicContact OD2-NH1 3.41Å; D220-R231 PolarHBondContact OD2-NH1 3.02Å; D220-R231 VanDerWaalsContact OD2-NH1 3.14Å; G229-R231 PolarHBondContact O-N 3.43Å; R231-I283 CarbonylContact C-O 3.53Å; R231-I283 WeakPolarHBondContact CA-O 3.33Å; R231-E293 IonicContact NE-OE1 2.83Å; R231-E293 IonicContact NE-OE2 3.01Å |
| 232 | M | 86.1 | Confident | 72.4 | Confident | 22 Ų | 22 | 74.7 Ų | 74.7 | 11% | 0.108 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 141.7 | 177 | -65.1 | 174 | -77.1 | 0 | 0 | 110.7 | V215 S216 I283 G285 | V215-M232 HydrophobicContact CG1-CB 4.43Å; V215-M232 HydrophobicContact CG1-SD 4.16Å; S216-M232 CarbonylContact O-C 3.55Å; S216-M232 WeakPolarHBondContact O-CA 3.49Å; M232-I283 HydrophobicContact CB-CD1 4.22Å; M232-I283 HydrophobicContact CB-CG1 3.78Å; M232-I283 HydrophobicContact CE-CD1 3.79Å; M232-I283 HydrophobicContact CE-CG1 4.07Å; M232-I283 PolarHBondContact N-O 2.91Å; M232-I283 PolarHBondContact O-N 3.31Å; M232-G285 VanDerWaalsContact CE-O 3.27Å; M232-G285 WeakPolarHBondContact CE-O 3.22Å |
| 233 | L | 90.1 | Very high | 73.9 | Confident | 47 Ų | 47 | 67.8 Ų | 67.8 | 25% | 0.246 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.8 | 167.4 | -174 | 69.9 | 0 | 0 | 0 | 108.4 | V215 S216 I218 R280 Y281 Q282 | V215-L233 WeakPolarHBondContact CA-O 3.42Å; S216-L233 PolarHBondContact N-O 2.96Å; S216-L233 PolarHBondContact O-N 3.35Å; I218-L233 HydrophobicContact CD1-CB 4.12Å; I218-L233 HydrophobicContact CG1-CB 3.99Å; L233-R280 HydrophobicContact CD1-CG 3.68Å; L233-R280 HydrophobicContact CG-CG 4.45Å; L233-Y281 WeakPolarHBondContact CA-O 3.44Å; L233-Q282 HydrophobicContact CD1-CG 4.11Å |
| 234 | V | 91.7 | Very high | 75.4 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.4 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | I166 L168 Y213 T214 V215 R280 Y281 I283 | I166-V234 HydrophobicContact CG2-CG1 4.41Å; L168-V234 HydrophobicContact CD2-CG1 3.92Å; L168-V234 HydrophobicContact CD2-CG2 3.9Å; Y213-V234 HydrophobicContact CD1-CG1 3.73Å; Y213-V234 HydrophobicContact CE1-CG1 4.25Å; T214-V234 CarbonylContact O-C 3.52Å; T214-V234 VanDerWaalsContact O-CA 3.3Å; T214-V234 WeakPolarHBondContact O-CA 3.01Å; V215-V234 HydrophobicContact CG1-CG2 4.22Å; V215-V234 HydrophobicContact CG2-CG1 4.29Å; V215-V234 HydrophobicContact CG2-CG2 4.23Å; V234-R280 CarbonylContact O-C 3.55Å; V234-R280 WeakPolarHBondContact O-CA 3.29Å; V234-Y281 HydrophobicContact CB-CD2 4.36Å; V234-Y281 HydrophobicContact CG1-CD2 4.4Å; V234-Y281 PolarHBondContact N-O 3.34Å; V234-Y281 PolarHBondContact O-N 3.45Å; V234-I283 HydrophobicContact CG2-CD1 3.66Å; V234-I283 HydrophobicContact CG2-CG1 4.17Å |
| 235 | T | 94.1 | Very high | 76.9 | Confident | 37 Ų | 37 | 66 Ų | 66 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.1 | 172.7 | -52.7 | 0 | 0 | 0 | 0 | 110.1 | Y213 T214 T278 I279 | Y213-T235 CarbonylContact C-O 3.55Å; Y213-T235 VanDerWaalsContact CA-O 3.29Å; Y213-T235 WeakPolarHBondContact CA-O 3.35Å; T214-T235 PolarHBondContact N-O 3.26Å; T214-T235 PolarHBondContact O-N 3.2Å; T214-T235 WeakPolarHBondContact OG1-CB 3.2Å; T235-T278 HydrophobicContact CG2-CG2 3.72Å; T235-I279 CarbonylContact C-O 3.59Å; T235-I279 WeakPolarHBondContact CA-O 3.16Å |
| 236 | K | 94 | Very high | 78.6 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 128.1 | 178.7 | 176.7 | -179.2 | 171.7 | 173.2 | 0 | 109 | Q165 E202 T211 M212 Y213 T278 I279 Y281 | Q165-K236 PolarHBondContact O-NZ 2.86Å; E202-K236 WeakPolarHBondContact OE1-CE 3.41Å; E202-K236 IonicContact OE1-NZ 2.88Å; E202-K236 PolarHBondContact OE1-NZ 2.87Å; E202-K236 WeakPolarHBondContact OE2-CE 3.3Å; E202-K236 IonicContact OE2-NZ 3.96Å; T211-K236 HydrophobicContact CG2-CD 4.11Å; T211-K236 HydrophobicContact CG2-CG 3.42Å; T211-K236 VanDerWaalsContact CG2-CG 3.42Å; M212-K236 CarbonylContact O-C 3.55Å; M212-K236 WeakPolarHBondContact O-CA 3.28Å; Y213-K236 HydrophobicContact CD1-CB 4.35Å; Y213-K236 HydrophobicContact CE1-CB 4.04Å; Y213-K236 HydrophobicContact CE1-CD 4.2Å; Y213-K236 HydrophobicContact CE1-CG 4.15Å; Y213-K236 HydrophobicContact CE2-CG 4.42Å; K236-T278 CarbonylContact O-C 3.57Å; K236-T278 VanDerWaalsContact O-CA 3.26Å; K236-T278 WeakPolarHBondContact O-CA 3.49Å; K236-I279 HydrophobicContact CB-CB 4.24Å; K236-I279 HydrophobicContact CD-CD1 4.17Å; K236-I279 HydrophobicContact CD-CG1 4.43Å; K236-I279 PolarHBondContact N-O 3.36Å; K236-I279 PolarHBondContact O-N 2.78Å; K236-Y281 HydrophobicContact CB-CE2 4.02Å; K236-Y281 HydrophobicContact CD-CE2 4.37Å |
| 237 | A | 95.2 | Very high | 80.5 | Confident | 40 Ų | 40 | 58 Ų | 58 | 33% | 0.331 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 131 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T211 M212 | T211-A237 CarbonylContact C-O 3.56Å; T211-A237 WeakPolarHBondContact CA-O 3.48Å; M212-A237 PolarHBondContact N-O 2.75Å; M212-A237 PolarHBondContact O-N 2.68Å |
| 238 | I | 92.8 | Very high | 82 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.051 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125.9 | -175.1 | -56.5 | 170.5 | 0 | 0 | 0 | 109.6 | T204 C209 T211 M240 T277 | T204-I238 HydrophobicContact CG2-CD1 3.86Å; C209-I238 HydrophobicContact CB-CG2 3.66Å; T211-I238 HydrophobicContact CG2-CG1 4.24Å; I238-M240 HydrophobicContact CB-CE 3.94Å; I238-M240 HydrophobicContact CD1-CE 4.41Å; I238-M240 HydrophobicContact CG2-CE 3.72Å; I238-M240 HydrophobicContact CG2-SD 4.09Å; I238-M240 PolarHBondContact O-N 3.32Å; I238-T277 HydrophobicContact CD1-CG2 3.94Å; I238-T277 PolarHBondContact N-O 3.01Å; I238-T277 VanDerWaalsContact N-O 3.13Å |
| 239 | D | 87.3 | Confident | 83.1 | Confident | 73 Ų | 73 | 44.6 Ų | 44.6 | 39% | 0.39 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 102.3 | 170.9 | -178.1 | 6.7 | 0 | 0 | 0 | 110.7 | D210 K241 S242 | D210-D239 PolarHBondContact O-N 3.46Å; D239-K241 PolarHBondContact O-N 2.87Å; D239-K241 VanDerWaalsContact O-N 3.13Å; D239-K241 WeakPolarHBondContact OD1-CB 3.48Å; D239-K241 PolarHBondContact OD1-N 2.78Å; D239-S242 PolarHBondContact O-N 3.34Å; D239-S242 PolarHBondContact O-OG 3.42Å |
| 240 | M | 83.2 | Confident | 83.9 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 5% | 0.054 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -10.8 | -179.9 | -63.2 | -63.6 | 169.3 | 0 | 0 | 114.1 | E206 I238 T277 | E206-M240 HydrophobicContact CB-CE 4.06Å; E206-M240 HydrophobicContact CB-SD 4.33Å; E206-M240 HydrophobicContact CG-CE 4.3Å; E206-M240 WeakPolarHBondContact OE1-CE 3.48Å; E206-M240 WeakPolarHBondContact OE2-CE 3.24Å; I238-M240 HydrophobicContact CB-CE 3.94Å; I238-M240 HydrophobicContact CD1-CE 4.41Å; I238-M240 HydrophobicContact CG2-CE 3.72Å; I238-M240 HydrophobicContact CG2-SD 4.09Å; I238-M240 PolarHBondContact O-N 3.32Å; M240-T277 VanDerWaalsContact CE-OG1 3.3Å; M240-T277 WeakPolarHBondContact CE-OG1 3.37Å |
| 241 | K | 75.9 | Confident | 84.2 | Confident | 135 Ų | 135 | 42.6 Ų | 42.6 | 59% | 0.587 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -24.1 | 179.4 | -63.7 | 176.6 | -178.4 | 172.9 | 0 | 112.5 | D239 | D239-K241 PolarHBondContact O-N 2.87Å; D239-K241 VanDerWaalsContact O-N 3.13Å; D239-K241 WeakPolarHBondContact OD1-CB 3.48Å; D239-K241 PolarHBondContact OD1-N 2.78Å |
| 242 | S | 84.3 | Confident | 83.9 | Confident | 28 Ų | 28 | 39.4 Ų | 39.4 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -88.7 | -0.6 | -178.4 | 65.6 | 0 | 0 | 0 | 0 | 114.2 | D210 D239 Q244 | D210-S242 VanDerWaalsContact CB-OG 3.24Å; D210-S242 WeakPolarHBondContact CB-OG 3.42Å; D210-S242 PolarHBondContact N-OG 2.81Å; D210-S242 WeakPolarHBondContact OD2-CB 3.34Å; D239-S242 PolarHBondContact O-N 3.34Å; D239-S242 PolarHBondContact O-OG 3.42Å; S242-Q244 PolarHBondContact O-N 3.35Å |
| 243 | C | 81.4 | Confident | 83.1 | Confident | 19 Ų | 19 | 39.5 Ų | 39.5 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | trans | -66.1 | 128.4 | -174.7 | -50.9 | 0 | 0 | 0 | 0 | 113.1 | E208 C209 R246 | E208-C243 CarbonylContact O-C 3.5Å; E208-C243 WeakPolarHBondContact O-CA 3.49Å; E208-C243 WeakPolarHBondContact O-CB 3.26Å; C209-C243 HydrophobicContact CB-CB 3.98Å; C209-C243 WeakPolarHBondContact CB-SG 3.36Å; C209-C243 WeakPolarHBondContact SG-CB 3.28Å; C209-C243 CovalentContact SG-SG 2.03Å; C209-C243 PolarHBondContact SG-SG 3.39Å; C243-R246 HydrophobicContact CB-CG 3.4Å; C243-R246 VanDerWaalsContact SG-CD 3.59Å | ||
| 244 | Q | 79.7 | Confident | 82.3 | Confident | 77 Ų | 77 | 38.9 Ų | 38.9 | 36% | 0.36 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -74.7 | -37 | 173.6 | -64.5 | -170.9 | -55.5 | 0 | 0 | 111.4 | E208 S242 E548 | E208-Q244 PolarHBondContact O-N 2.99Å; S242-Q244 PolarHBondContact O-N 3.35Å; Q244-E548 PolarHBondContact NE2-OE2 2.65Å; Q244-E548 VanDerWaalsContact NE2-OE2 3.09Å |
| 245 | R | 80.1 | Confident | 81.3 | Confident | 126 Ų | 126 | 39.6 Ų | 39.6 | 48% | 0.475 | 19% | 0.192 | S | C | . | . | B | Isolated β-bridge | trans | -135.3 | 125.2 | 178.4 | -175.7 | 180 | 177.5 | -166.5 | -1.4 | 110 | G207 E208 | G207-R245 CarbonylContact C-O 3.55Å; G207-R245 WeakPolarHBondContact CA-O 3.42Å; E208-R245 PolarHBondContact N-O 3.32Å |
| 246 | R | 82.6 | Confident | 80.3 | Confident | 38 Ų | 38 | 38.5 Ų | 38.5 | 14% | 0.143 | 19% | 0.185 | C | C | . | . | trans | -128.2 | 133.7 | 166.8 | -62.2 | -169.6 | 73.3 | -151.6 | -4.7 | 109.8 | E206 C243 E248 | E206-R246 PolarHBondContact O-NE 3.32Å; C243-R246 HydrophobicContact CB-CG 3.4Å; C243-R246 VanDerWaalsContact SG-CD 3.59Å; R246-E248 HydrophobicContact CB-CG 4.21Å; R246-E248 IonicContact CZ-OE1 3.71Å; R246-E248 VanDerWaalsContact CZ-OE1 3.25Å; R246-E248 IonicContact NE-OE1 3.99Å; R246-E248 IonicContact NH1-OE1 2.8Å; R246-E248 PolarHBondContact NH1-OE1 2.89Å; R246-E248 IonicContact NH2-OE1 3.11Å; R246-E248 PolarHBondContact O-N 3.49Å | ||
| 247 | P | 83.6 | Confident | 79.2 | Confident | 18 Ų | 18 | 40 Ų | 40 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | trans | -80.6 | 65.1 | -179.5 | 33.9 | -34.1 | 0 | 0 | 0 | 110.8 | E206 I350 Y351 T353 P918 | E206-P247 WeakPolarHBondContact O-CD 3.41Å; P247-I350 HydrophobicContact CB-CG2 4.21Å; P247-I350 HydrophobicContact CG-CG2 3.75Å; P247-Y351 WeakPolarHBondContact CB-O 2.93Å; P247-T353 HydrophobicContact CB-CG2 4.14Å; P247-P918 HydrophobicContact CG-CB 4.38Å; P247-P918 HydrophobicContact CG-CG 3.83Å | ||
| 248 | E | 79.4 | Confident | 77.9 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 13% | 0.126 | 20% | 0.204 | C | C | . | . | trans | -101.2 | 134.2 | 178.6 | -71.4 | -175.6 | -176.4 | 0 | 0 | 112 | R246 W250 H541 K916 I917 | R246-E248 HydrophobicContact CB-CG 4.21Å; R246-E248 IonicContact CZ-OE1 3.71Å; R246-E248 VanDerWaalsContact CZ-OE1 3.25Å; R246-E248 IonicContact NE-OE1 3.99Å; R246-E248 IonicContact NH1-OE1 2.8Å; R246-E248 PolarHBondContact NH1-OE1 2.89Å; R246-E248 IonicContact NH2-OE1 3.11Å; R246-E248 PolarHBondContact O-N 3.49Å; E248-W250 PolarHBondContact OE2-NE1 2.9Å; E248-H541 VanDerWaalsContact CB-NE2 3.31Å; E248-H541 WeakPolarHBondContact CB-NE2 3.43Å; E248-H541 PolarHBondContact O-CD2 3.04Å; E248-H541 IonicContact OE2-CE1 2.86Å; E248-H541 PolarHBondContact OE2-CE1 3.1Å; E248-H541 IonicContact OE2-NE2 3.41Å; E248-H541 PolarHBondContact OE2-NE2 3.46Å; E248-K916 VanDerWaalsContact CA-O 3.3Å; E248-K916 WeakPolarHBondContact CA-O 3.42Å; E248-I917 HydrophobicContact CG-CG1 4.33Å; E248-I917 HydrophobicContact CG-CG2 4.41Å | ||
| 249 | V | 76.4 | Confident | 77 | Confident | 24 Ų | 24 | 41.5 Ų | 41.5 | 15% | 0.145 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126.2 | 177.2 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | W251 T353 V915 K916 | V249-W251 HydrophobicContact CG1-CD2 4.46Å; V249-W251 HydrophobicContact CG1-CZ2 4.18Å; V249-W251 VanDerWaalsContact CG1-NE1 3.31Å; V249-T353 HydrophobicContact CG2-CG2 4.32Å; V249-V915 CarbonylContact O-C 3.57Å; V249-V915 WeakPolarHBondContact O-CA 3.16Å; V249-K916 HydrophobicContact CB-CB 4.11Å; V249-K916 HydrophobicContact CB-CD 4.14Å; V249-K916 PolarHBondContact N-O 3.41Å; V249-K916 PolarHBondContact O-N 3.09Å |
| 250 | W | 74.9 | Confident | 75.8 | Confident | 66 Ų | 66 | 41.5 Ų | 41.5 | 25% | 0.25 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.7 | 178.8 | -69.6 | 64.7 | 0 | 0 | 0 | 111.1 | E248 F253 H541 V914 V915 | E248-W250 PolarHBondContact OE2-NE1 2.9Å; W250-F253 HydrophobicContact CB-CD2 4.32Å; W250-F253 HydrophobicContact CB-CE2 4.49Å; W250-F253 HydrophobicContact CD2-CE2 4.37Å; W250-F253 HydrophobicContact CE3-CD1 4.22Å; W250-F253 AromaticContact CE3-CD2 3.75Å; W250-F253 HydrophobicContact CE3-CD2 3.75Å; W250-F253 AromaticContact CE3-CE1 3.95Å; W250-F253 HydrophobicContact CE3-CE1 3.95Å; W250-F253 AromaticContact CE3-CE2 3.46Å; W250-F253 HydrophobicContact CE3-CE2 3.46Å; W250-F253 VanDerWaalsContact CE3-CE2 3.46Å; W250-F253 HydrophobicContact CE3-CG 4.13Å; W250-F253 AromaticContact CE3-CZ 3.56Å; W250-F253 HydrophobicContact CE3-CZ 3.56Å; W250-F253 HydrophobicContact CZ3-CD1 4.3Å; W250-F253 AromaticContact CZ3-CE1 3.79Å; W250-F253 HydrophobicContact CZ3-CE1 3.79Å; W250-F253 HydrophobicContact CZ3-CE2 4.08Å; W250-F253 AromaticContact CZ3-CZ 3.67Å; W250-F253 HydrophobicContact CZ3-CZ 3.67Å; W250-H541 AromaticContact CD1-CD2 3.54Å; W250-H541 AromaticContact CD1-NE2 3Å; W250-H541 AromaticContact NE1-CE1 3.67Å; W250-H541 AromaticContact NE1-NE2 3.02Å; W250-H541 PolarHBondContact NE1-NE2 2.7Å; W250-V914 WeakPolarHBondContact CA-O 3.41Å; W250-V915 HydrophobicContact CD2-CG1 4.2Å; W250-V915 HydrophobicContact CD2-CG2 3.91Å; W250-V915 HydrophobicContact CE3-CG2 3.7Å; W250-V915 HydrophobicContact CH2-CG1 4.39Å; W250-V915 HydrophobicContact CH2-CG2 4.06Å; W250-V915 HydrophobicContact CZ2-CG1 3.86Å; W250-V915 HydrophobicContact CZ2-CG2 4.26Å; W250-V915 HydrophobicContact CZ3-CG2 3.76Å |
| 251 | W | 75.2 | Confident | 74.9 | Confident | 22 Ų | 22 | 45.1 Ų | 45.1 | 8% | 0.083 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.1 | 178.6 | -60.5 | -28.3 | 0 | 0 | 0 | 112.5 | V249 F253 D360 V914 | V249-W251 HydrophobicContact CG1-CD2 4.46Å; V249-W251 HydrophobicContact CG1-CZ2 4.18Å; V249-W251 VanDerWaalsContact CG1-NE1 3.31Å; W251-F253 WeakPolarHBondContact O-CD2 3.46Å; W251-F253 VanDerWaalsContact O-CE2 3.32Å; W251-F253 WeakPolarHBondContact O-CE2 3.44Å; W251-D360 VanDerWaalsContact CZ2-OD1 3.26Å; W251-D360 WeakPolarHBondContact CZ2-OD1 3.47Å; W251-D360 PolarHBondContact NE1-OD2 2.85Å; W251-V914 HydrophobicContact CB-CB 4.22Å; W251-V914 HydrophobicContact CD2-CB 4.23Å; W251-V914 HydrophobicContact CE3-CB 3.66Å; W251-V914 HydrophobicContact CE3-CG1 3.96Å; W251-V914 HydrophobicContact CE3-CG2 3.68Å; W251-V914 HydrophobicContact CG-CB 4.49Å; W251-V914 HydrophobicContact CZ3-CB 4.44Å; W251-V914 HydrophobicContact CZ3-CG1 4.3Å; W251-V914 HydrophobicContact CZ3-CG2 4.31Å; W251-V914 PolarHBondContact N-O 3.28Å; W251-V914 PolarHBondContact O-N 2.86Å |
| 252 | N | 73 | Confident | 74.1 | Confident | 7 Ų | 7 | 39 Ų | 39 | 4% | 0.037 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 65.8 | 31.9 | 170.6 | -77.4 | -9.2 | 0 | 0 | 0 | 118.3 | D493 T494 E912 | N252-D493 PolarHBondContact ND2-O 2.83Å; N252-T494 PolarHBondContact OD1-O 3.45Å; N252-E912 WeakPolarHBondContact CB-O 3.37Å; N252-E912 PolarHBondContact ND2-O 2.93Å |
| 253 | F | 70.3 | Confident | 72.6 | Confident | 24 Ų | 24 | 41.9 Ų | 41.9 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | trans | -95.9 | -0.9 | 177.3 | -72.6 | -94.4 | 0 | 0 | 0 | 115 | W250 W251 F255 I256 T913 V915 | W250-F253 HydrophobicContact CB-CD2 4.32Å; W250-F253 HydrophobicContact CB-CE2 4.49Å; W250-F253 HydrophobicContact CD2-CE2 4.37Å; W250-F253 HydrophobicContact CE3-CD1 4.22Å; W250-F253 AromaticContact CE3-CD2 3.75Å; W250-F253 HydrophobicContact CE3-CD2 3.75Å; W250-F253 AromaticContact CE3-CE1 3.95Å; W250-F253 HydrophobicContact CE3-CE1 3.95Å; W250-F253 AromaticContact CE3-CE2 3.46Å; W250-F253 HydrophobicContact CE3-CE2 3.46Å; W250-F253 VanDerWaalsContact CE3-CE2 3.46Å; W250-F253 HydrophobicContact CE3-CG 4.13Å; W250-F253 AromaticContact CE3-CZ 3.56Å; W250-F253 HydrophobicContact CE3-CZ 3.56Å; W250-F253 HydrophobicContact CZ3-CD1 4.3Å; W250-F253 AromaticContact CZ3-CE1 3.79Å; W250-F253 HydrophobicContact CZ3-CE1 3.79Å; W250-F253 HydrophobicContact CZ3-CE2 4.08Å; W250-F253 AromaticContact CZ3-CZ 3.67Å; W250-F253 HydrophobicContact CZ3-CZ 3.67Å; W251-F253 WeakPolarHBondContact O-CD2 3.46Å; W251-F253 VanDerWaalsContact O-CE2 3.32Å; W251-F253 WeakPolarHBondContact O-CE2 3.44Å; F253-F255 VanDerWaalsContact C-N 3.31Å; F253-F255 PolarHBondContact O-N 2.92Å; F253-I256 HydrophobicContact CD1-CD1 4.27Å; F253-I256 PolarHBondContact O-N 2.98Å; F253-I256 VanDerWaalsContact O-N 3.15Å; F253-T913 HydrophobicContact CE1-CG2 4.4Å; F253-T913 HydrophobicContact CE2-CG2 4.31Å; F253-T913 HydrophobicContact CZ-CG2 4.23Å; F253-V915 HydrophobicContact CE2-CG2 3.93Å; F253-V915 HydrophobicContact CZ-CG2 3.73Å | ||
| 254 | Q | 72.2 | Confident | 71.2 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 16% | 0.164 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -21.6 | -171.3 | 63.4 | -83.4 | 8 | 0 | 0 | 116.3 | T534 A537 | Q254-T534 HydrophobicContact CG-CG2 4.32Å; Q254-T534 PolarHBondContact NE2-OG1 2.96Å; Q254-T534 VanDerWaalsContact NE2-OG1 3.14Å; Q254-A537 HydrophobicContact CB-CB 3.85Å |
| 255 | F | 72.1 | Confident | 69.7 | Low | 14 Ų | 14 | 46.5 Ų | 46.5 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 4.5 | 179.2 | -53.1 | -53.7 | 0 | 0 | 0 | 113.1 | F253 M492 D493 R533 T534 R860 Q862 | F253-F255 VanDerWaalsContact C-N 3.31Å; F253-F255 PolarHBondContact O-N 2.92Å; F255-M492 HydrophobicContact CE2-CE 4.22Å; F255-D493 WeakPolarHBondContact CD2-OD1 3.23Å; F255-D493 WeakPolarHBondContact CE2-OD1 3.2Å; F255-R533 HydrophobicContact CE1-CG 4.4Å; F255-T534 WeakPolarHBondContact CZ-OG1 3.29Å; F255-R860 HydrophobicContact CB-CB 4.18Å; F255-Q862 HydrophobicContact CD1-CG 4.03Å; F255-Q862 HydrophobicContact CE1-CG 3.78Å; F255-Q862 VanDerWaalsContact CE1-NE2 3.25Å; F255-Q862 HydrophobicContact CZ-CG 4.21Å |
| 256 | I | 71.9 | Confident | 67.6 | Low | 14 Ų | 14 | 46.4 Ų | 46.4 | 7% | 0.072 | 24% | 0.24 | C | C | . | . | trans | -105.9 | 121.5 | -179.5 | -58.5 | -179.1 | 0 | 0 | 0 | 109.2 | F253 E781 | F253-I256 HydrophobicContact CD1-CD1 4.27Å; F253-I256 PolarHBondContact O-N 2.98Å; F253-I256 VanDerWaalsContact O-N 3.15Å; I256-E781 HydrophobicContact CG2-CB 3.43Å; I256-E781 VanDerWaalsContact CG2-CB 3.43Å; I256-E781 HydrophobicContact CG2-CG 3.7Å | ||
| 257 | S | 70.8 | Confident | 65.5 | Low | 32 Ų | 32 | 53.4 Ų | 53.4 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 137.3 | 176.7 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | R782 | S257-R782 PolarHBondContact N-O 2.94Å; S257-R782 VanDerWaalsContact N-O 3.11Å; S257-R782 PolarHBondContact O-N 3.08Å; S257-R782 PolarHBondContact OG-O 3.44Å |
| 258 | P | 69.5 | Low | 63.1 | Low | 79 Ų | 79 | 52.8 Ų | 52.8 | 51% | 0.513 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 148.4 | 171.8 | 29 | -33.5 | 0 | 0 | 0 | 110.8 | ||
| 259 | C | 73.6 | Confident | 60.8 | Low | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.014 | 28% | 0.282 | C | S | . | . | trans | -111.9 | 95.9 | 173.1 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | R261 C262 C711 G780 | C259-R261 PolarHBondContact O-N 3Å; C259-C262 HydrophobicContact CB-CB 4.27Å; C259-C262 WeakPolarHBondContact O-CB 3.16Å; C259-C262 PolarHBondContact O-N 2.92Å; C259-C262 PolarHBondContact SG-SG 2.85Å; C259-C711 HydrophobicContact CB-CB 4.3Å; C259-C711 WeakPolarHBondContact CB-SG 3.28Å; C259-C711 WeakPolarHBondContact SG-CA 3.44Å; C259-C711 WeakPolarHBondContact SG-CB 3.42Å; C259-C711 PolarHBondContact SG-N 3.13Å; C259-C711 VanDerWaalsContact SG-N 3.38Å; C259-C711 CovalentContact SG-SG 2.04Å; C259-C711 PolarHBondContact SG-SG 3.11Å; C259-G780 WeakPolarHBondContact CB-O 3.38Å; C259-G780 PolarHBondContact N-O 2.68Å | ||
| 260 | P | 62 | Low | 59 | Low | 73 Ų | 73 | 55.8 Ų | 55.8 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -53.8 | -45.1 | -163.6 | -28.5 | 34.4 | 0 | 0 | 0 | 115.1 | C262 H263 | P260-C262 VanDerWaalsContact C-N 3.3Å; P260-C262 PolarHBondContact O-N 2.91Å; P260-H263 PolarHBondContact O-N 3.09Å |
| 261 | R | 64.4 | Low | 57.8 | Low | 88 Ų | 88 | 58.3 Ų | 58.3 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -73.1 | -15.5 | -179.4 | -82.3 | -163.4 | 167.1 | -179.1 | 0.6 | 114.9 | C259 H263 Q264 L265 E713 E714 | C259-R261 PolarHBondContact O-N 3Å; R261-H263 PolarHBondContact O-N 2.91Å; R261-Q264 PolarHBondContact O-N 2.76Å; R261-Q264 VanDerWaalsContact O-N 3.15Å; R261-L265 PolarHBondContact O-N 3.12Å; R261-E713 PolarHBondContact NH1-O 3.33Å; R261-E714 HydrophobicContact CG-CB 4.47Å; R261-E714 VanDerWaalsContact CZ-CA 3.5Å |
| 262 | C | 59 | Low | 57.2 | Low | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.034 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -65.3 | -18.1 | 172 | -77.7 | 0 | 0 | 0 | 0 | 112.9 | C259 P260 S268 | C259-C262 HydrophobicContact CB-CB 4.27Å; C259-C262 WeakPolarHBondContact O-CB 3.16Å; C259-C262 PolarHBondContact O-N 2.92Å; C259-C262 PolarHBondContact SG-SG 2.85Å; P260-C262 VanDerWaalsContact C-N 3.3Å; P260-C262 PolarHBondContact O-N 2.91Å; C262-S268 WeakPolarHBondContact O-CB 3.4Å; C262-S268 PolarHBondContact O-OG 3.3Å |
| 263 | H | 53.7 | Low | 57.4 | Low | 90 Ų | 90 | 59.8 Ų | 59.8 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -90.2 | -10.7 | 175.4 | -65.1 | -65.4 | 0 | 0 | 0 | 113.9 | P260 R261 S268 G269 | P260-H263 PolarHBondContact O-N 3.09Å; R261-H263 PolarHBondContact O-N 2.91Å; H263-S268 WeakPolarHBondContact CA-O 3.12Å; H263-S268 WeakPolarHBondContact CA-OG 3.4Å; H263-S268 CarbonylContact O-C 3.47Å; H263-S268 PolarHBondContact O-OG 3.14Å; H263-G269 PolarHBondContact O-N 3.15Å |
| 264 | Q | 51 | Low | 57.8 | Low | 144 Ų | 144 | 61.6 Ų | 61.6 | 67% | 0.673 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -9.9 | -177.2 | -67.2 | 178.1 | -11.9 | 0 | 0 | 114.1 | R261 S268 | R261-Q264 PolarHBondContact O-N 2.76Å; R261-Q264 VanDerWaalsContact O-N 3.15Å; Q264-S268 PolarHBondContact N-OG 3.1Å; Q264-S268 VanDerWaalsContact N-OG 3.14Å |
| 265 | L | 47.8 | Very low | 58.5 | Low | 49 Ų | 49 | 61.2 Ų | 61.2 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -56.8 | 144.8 | 169.7 | -65 | 164.6 | 0 | 0 | 0 | 110.2 | R261 R267 S268 P710 | R261-L265 PolarHBondContact O-N 3.12Å; L265-R267 PolarHBondContact O-N 3.23Å; L265-S268 VanDerWaalsContact C-OG 3.25Å; L265-S268 VanDerWaalsContact CA-OG 3.24Å; L265-S268 WeakPolarHBondContact CA-OG 3.35Å; L265-S268 WeakPolarHBondContact CB-OG 3.46Å; L265-S268 PolarHBondContact N-OG 3.27Å; L265-S268 WeakPolarHBondContact O-CA 3.34Å; L265-S268 WeakPolarHBondContact O-CB 3.35Å; L265-S268 PolarHBondContact O-N 2.86Å; L265-S268 PolarHBondContact O-OG 3.4Å; L265-P710 HydrophobicContact CD1-CB 4.41Å; L265-P710 HydrophobicContact CD1-CG 3.98Å |
| 266 | P | 35.6 | Very low | 59.4 | Low | 124 Ų | 124 | 63.6 Ų | 63.6 | 81% | 0.805 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 134.5 | 173.3 | -22.2 | 31.8 | 0 | 0 | 0 | 110.3 | S268 | P266-S268 VanDerWaalsContact C-N 3.32Å; P266-S268 PolarHBondContact O-N 2.86Å |
| 267 | R | 39.2 | Very low | 60.5 | Low | 185 Ų | 185 | 63 Ų | 63 | 70% | 0.698 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 22.2 | -168.3 | -52.4 | -173.7 | -179.2 | 162.7 | 2 | 116 | L265 D309 K749 | L265-R267 PolarHBondContact O-N 3.23Å; R267-D309 VanDerWaalsContact CD-OD2 3.24Å; R267-D309 WeakPolarHBondContact CD-OD2 3.45Å; R267-D309 IonicContact CZ-OD2 3.76Å; R267-D309 IonicContact NE-OD2 3.26Å; R267-D309 IonicContact NH1-OD2 3.91Å; R267-D309 PolarHBondContact NH1-OD2 2.88Å; R267-K749 PolarHBondContact O-NZ 2.91Å |
| 268 | S | 33.3 | Very low | 61.7 | Low | 4 Ų | 4 | 63.9 Ų | 63.9 | 3% | 0.028 | 34% | 0.341 | C | S | . | . | trans | -113 | -0 | -176.4 | 83.4 | 0 | 0 | 0 | 0 | 116.8 | C262 H263 Q264 L265 P266 E270 | C262-S268 WeakPolarHBondContact O-CB 3.4Å; C262-S268 PolarHBondContact O-OG 3.3Å; H263-S268 WeakPolarHBondContact CA-O 3.12Å; H263-S268 WeakPolarHBondContact CA-OG 3.4Å; H263-S268 CarbonylContact O-C 3.47Å; H263-S268 PolarHBondContact O-OG 3.14Å; Q264-S268 PolarHBondContact N-OG 3.1Å; Q264-S268 VanDerWaalsContact N-OG 3.14Å; L265-S268 VanDerWaalsContact C-OG 3.25Å; L265-S268 VanDerWaalsContact CA-OG 3.24Å; L265-S268 WeakPolarHBondContact CA-OG 3.35Å; L265-S268 WeakPolarHBondContact CB-OG 3.46Å; L265-S268 PolarHBondContact N-OG 3.27Å; L265-S268 WeakPolarHBondContact O-CA 3.34Å; L265-S268 WeakPolarHBondContact O-CB 3.35Å; L265-S268 PolarHBondContact O-N 2.86Å; L265-S268 PolarHBondContact O-OG 3.4Å; P266-S268 VanDerWaalsContact C-N 3.32Å; P266-S268 PolarHBondContact O-N 2.86Å; S268-E270 PolarHBondContact O-N 3.36Å | ||
| 269 | G | 31.2 | Very low | 62.9 | Low | 53 Ų | 53 | 60.1 Ų | 60.1 | 55% | 0.546 | 32% | 0.317 | S | S | . | . | trans | -69.4 | -4.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H263 R271 | H263-G269 PolarHBondContact O-N 3.15Å; G269-R271 PolarHBondContact O-N 3.13Å | ||
| 270 | E | 38 | Very low | 64 | Low | 62 Ų | 62 | 66 Ų | 66 | 29% | 0.29 | 34% | 0.339 | S | S | . | . | trans | -80.2 | 116.7 | -178 | -53.8 | -167.8 | 175 | 0 | 0 | 110.9 | S268 E274 A308 | S268-E270 PolarHBondContact O-N 3.36Å; E270-E274 WeakPolarHBondContact CA-OE1 3.08Å; E270-E274 HydrophobicContact CB-CG 4.12Å; E270-E274 VanDerWaalsContact CB-OE1 3.29Å; E270-E274 WeakPolarHBondContact CB-OE1 3.42Å; E270-E274 HydrophobicContact CG-CG 4.46Å; E270-E274 WeakPolarHBondContact CG-OE1 3.43Å; E270-A308 WeakPolarHBondContact OE2-CB 3.5Å | ||
| 271 | R | 51.2 | Low | 65.6 | Low | 118 Ų | 118 | 62.6 Ų | 62.6 | 45% | 0.445 | 32% | 0.317 | S | S | . | . | trans | -55.2 | 156.8 | 165 | -71.4 | 177.5 | 177.2 | 169.5 | 0.4 | 108.1 | G269 V273 | G269-R271 PolarHBondContact O-N 3.13Å; R271-V273 WeakPolarHBondContact CB-O 3.34Å; R271-V273 PolarHBondContact O-N 2.92Å | ||
| 272 | S | 62.5 | Low | 66.9 | Low | 38 Ų | 38 | 61.8 Ų | 61.8 | 27% | 0.266 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -55.8 | -12.6 | 175.8 | -176.2 | 0 | 0 | 0 | 0 | 113.8 | I303 A304 R779 R929 | S272-I303 WeakPolarHBondContact O-CA 3.03Å; S272-A304 PolarHBondContact O-N 3.21Å; S272-R779 PolarHBondContact OG-NH1 3.02Å; S272-R929 PolarHBondContact OG-NH2 3.16Å |
| 273 | V | 75.3 | Confident | 68.4 | Low | 23 Ų | 23 | 61.6 Ų | 61.6 | 14% | 0.139 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -136.9 | 120.5 | 174.2 | -172.6 | 0 | 0 | 0 | 0 | 107.4 | R271 H301 V302 I303 I917 I927 | R271-V273 WeakPolarHBondContact CB-O 3.34Å; R271-V273 PolarHBondContact O-N 2.92Å; V273-H301 HydrophobicContact CG1-CB 4.39Å; V273-V302 CarbonylContact C-O 3.56Å; V273-V302 WeakPolarHBondContact CA-O 3.02Å; V273-I303 HydrophobicContact CG1-CG1 4.27Å; V273-I303 HydrophobicContact CG2-CG1 4.19Å; V273-I917 HydrophobicContact CB-CD1 4.35Å; V273-I917 HydrophobicContact CG1-CD1 3.91Å; V273-I917 HydrophobicContact CG2-CD1 4.36Å; V273-I927 HydrophobicContact CB-CD1 4.46Å; V273-I927 HydrophobicContact CG1-CD1 4.38Å; V273-I927 HydrophobicContact CG2-CD1 3.27Å |
| 274 | E | 79.7 | Confident | 70 | Confident | 62 Ų | 62 | 58.1 Ų | 58.1 | 29% | 0.29 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 139 | 165.1 | -56.3 | -146.6 | 128.6 | 0 | 0 | 108.7 | E270 H301 V302 | E270-E274 WeakPolarHBondContact CA-OE1 3.08Å; E270-E274 HydrophobicContact CB-CG 4.12Å; E270-E274 VanDerWaalsContact CB-OE1 3.29Å; E270-E274 WeakPolarHBondContact CB-OE1 3.42Å; E270-E274 HydrophobicContact CG-CG 4.46Å; E270-E274 WeakPolarHBondContact CG-OE1 3.43Å; E274-H301 CarbonylContact O-C 3.55Å; E274-H301 VanDerWaalsContact O-CA 3.26Å; E274-H301 WeakPolarHBondContact O-CA 3.33Å; E274-V302 HydrophobicContact CB-CB 4.42Å; E274-V302 PolarHBondContact N-O 3.24Å; E274-V302 PolarHBondContact O-N 3.35Å |
| 275 | S | 86.1 | Confident | 71.5 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 132.7 | -176.9 | -56 | 0 | 0 | 0 | 0 | 108.9 | D300 H301 | S275-D300 WeakPolarHBondContact CA-O 3.48Å; S275-H301 WeakPolarHBondContact CB-ND1 3.25Å; S275-H301 PolarHBondContact OG-ND1 3.09Å |
| 276 | S | 91 | Very high | 73 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 136.2 | 177.1 | -177.8 | 0 | 0 | 0 | 0 | 109.1 | N299 D300 | S276-N299 CarbonylContact O-C 3.54Å; S276-N299 VanDerWaalsContact O-CA 3.29Å; S276-N299 WeakPolarHBondContact O-CA 3.47Å; S276-N299 PolarHBondContact O-ND2 3.13Å; S276-D300 PolarHBondContact N-O 3.39Å; S276-D300 PolarHBondContact O-N 2.82Å |
| 277 | T | 94.9 | Very high | 75 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 126.5 | 175 | -62.8 | 0 | 0 | 0 | 0 | 109.6 | E206 I238 M240 I279 L297 S298 N299 A920 | E206-T277 PolarHBondContact OE1-OG1 3.07Å; E206-T277 WeakPolarHBondContact OE2-CB 3.45Å; E206-T277 WeakPolarHBondContact OE2-CG2 3.45Å; E206-T277 PolarHBondContact OE2-OG1 3.21Å; I238-T277 HydrophobicContact CD1-CG2 3.94Å; I238-T277 PolarHBondContact N-O 3.01Å; I238-T277 VanDerWaalsContact N-O 3.13Å; M240-T277 VanDerWaalsContact CE-OG1 3.3Å; M240-T277 WeakPolarHBondContact CE-OG1 3.37Å; T277-I279 HydrophobicContact CG2-CG1 4.28Å; T277-L297 HydrophobicContact CG2-CD1 3.71Å; T277-S298 WeakPolarHBondContact CA-O 3.4Å; T277-N299 HydrophobicContact CG2-CB 4.47Å; T277-N299 PolarHBondContact OG1-ND2 3.45Å; T277-A920 HydrophobicContact CG2-CB 4.14Å |
| 278 | T | 95.9 | Very high | 76.7 | Confident | 51 Ų | 51 | 49.4 Ų | 49.4 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 132.8 | 175 | -51.2 | 0 | 0 | 0 | 0 | 109.6 | T235 K236 S298 | T235-T278 HydrophobicContact CG2-CG2 3.72Å; K236-T278 CarbonylContact O-C 3.57Å; K236-T278 VanDerWaalsContact O-CA 3.26Å; K236-T278 WeakPolarHBondContact O-CA 3.49Å; T278-S298 PolarHBondContact N-O 3.33Å; T278-S298 PolarHBondContact O-N 2.82Å |
| 279 | I | 96.5 | Very high | 79 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.6 | 178.6 | -37.9 | -171.6 | 0 | 0 | 0 | 108.9 | L163 T235 K236 T277 Y281 V295 E296 L297 | L163-I279 HydrophobicContact CD2-CG2 4.36Å; T235-I279 CarbonylContact C-O 3.59Å; T235-I279 WeakPolarHBondContact CA-O 3.16Å; K236-I279 HydrophobicContact CB-CB 4.24Å; K236-I279 HydrophobicContact CD-CD1 4.17Å; K236-I279 HydrophobicContact CD-CG1 4.43Å; K236-I279 PolarHBondContact N-O 3.36Å; K236-I279 PolarHBondContact O-N 2.78Å; T277-I279 HydrophobicContact CG2-CG1 4.28Å; I279-Y281 HydrophobicContact CB-CE2 3.65Å; I279-Y281 HydrophobicContact CG2-CD2 4.22Å; I279-Y281 HydrophobicContact CG2-CE1 4.09Å; I279-Y281 HydrophobicContact CG2-CE2 3.48Å; I279-Y281 VanDerWaalsContact CG2-CE2 3.48Å; I279-Y281 VanDerWaalsContact CG2-CZ 3.4Å; I279-Y281 WeakPolarHBondContact CG2-OH 3.46Å; I279-V295 HydrophobicContact CG2-CG1 3.42Å; I279-V295 VanDerWaalsContact CG2-CG1 3.42Å; I279-E296 CarbonylContact C-O 3.53Å; I279-E296 WeakPolarHBondContact CA-O 3.43Å; I279-L297 HydrophobicContact CD1-CD1 3.94Å; I279-L297 HydrophobicContact CG1-CD1 3.66Å |
| 280 | R | 96.3 | Very high | 81.7 | Confident | 127 Ų | 127 | 53.5 Ų | 53.5 | 48% | 0.479 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.8 | 179.5 | -174.3 | 169.8 | 67 | -158.7 | 6.9 | 109.8 | L233 V234 V295 E296 | L233-R280 HydrophobicContact CD1-CG 3.68Å; L233-R280 HydrophobicContact CG-CG 4.45Å; V234-R280 CarbonylContact O-C 3.55Å; V234-R280 WeakPolarHBondContact O-CA 3.29Å; R280-V295 CarbonylContact O-C 3.59Å; R280-V295 WeakPolarHBondContact O-CA 3.35Å; R280-E296 IonicContact CZ-OE2 3.91Å; R280-E296 PolarHBondContact N-O 3Å; R280-E296 IonicContact NE-OE2 3.91Å; R280-E296 PolarHBondContact NE-OE2 3.19Å; R280-E296 IonicContact NH2-OE2 3.83Å; R280-E296 PolarHBondContact NH2-OE2 2.97Å; R280-E296 PolarHBondContact O-N 2.85Å |
| 281 | Y | 94.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 137.2 | -176.9 | -52.9 | -103.6 | 0 | 0 | 0 | 110.3 | L163 Q165 I166 L233 V234 K236 I279 R294 V295 | L163-Y281 VanDerWaalsContact O-CE1 3.3Å; L163-Y281 WeakPolarHBondContact O-CE1 3.28Å; Q165-Y281 PolarHBondContact O-OH 2.83Å; Q165-Y281 VanDerWaalsContact O-OH 3.11Å; I166-Y281 HydrophobicContact CD1-CD1 3.24Å; I166-Y281 HydrophobicContact CD1-CD2 4.38Å; I166-Y281 HydrophobicContact CD1-CE1 3.43Å; I166-Y281 VanDerWaalsContact CD1-CE1 3.43Å; I166-Y281 HydrophobicContact CD1-CG 3.77Å; I166-Y281 HydrophobicContact CG1-CD1 3.83Å; I166-Y281 HydrophobicContact CG1-CE1 3.45Å; I166-Y281 VanDerWaalsContact CG1-CE1 3.45Å; I166-Y281 HydrophobicContact CG1-CE2 4.3Å; I166-Y281 HydrophobicContact CG1-CG 4.38Å; L233-Y281 WeakPolarHBondContact CA-O 3.44Å; V234-Y281 HydrophobicContact CB-CD2 4.36Å; V234-Y281 HydrophobicContact CG1-CD2 4.4Å; V234-Y281 PolarHBondContact N-O 3.34Å; V234-Y281 PolarHBondContact O-N 3.45Å; K236-Y281 HydrophobicContact CB-CE2 4.02Å; K236-Y281 HydrophobicContact CD-CE2 4.37Å; I279-Y281 HydrophobicContact CB-CE2 3.65Å; I279-Y281 HydrophobicContact CG2-CD2 4.22Å; I279-Y281 HydrophobicContact CG2-CE1 4.09Å; I279-Y281 HydrophobicContact CG2-CE2 3.48Å; I279-Y281 VanDerWaalsContact CG2-CE2 3.48Å; I279-Y281 VanDerWaalsContact CG2-CZ 3.4Å; I279-Y281 WeakPolarHBondContact CG2-OH 3.46Å; Y281-R294 CarbonylContact C-O 3.56Å; Y281-R294 WeakPolarHBondContact CA-O 3.3Å; Y281-V295 HydrophobicContact CD1-CB 4.19Å; Y281-V295 HydrophobicContact CD1-CG1 3.67Å; Y281-V295 HydrophobicContact CD1-CG2 3.61Å; Y281-V295 HydrophobicContact CE1-CB 4.44Å; Y281-V295 HydrophobicContact CE1-CG1 3.58Å; Y281-V295 HydrophobicContact CE1-CG2 3.99Å; Y281-V295 HydrophobicContact CG-CG1 4.34Å |
| 282 | Q | 92.7 | Very high | 86.1 | Confident | 72 Ų | 72 | 44.9 Ų | 44.9 | 34% | 0.336 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 117.9 | 160.5 | -64.5 | 178.9 | -36.9 | 0 | 0 | 107.1 | I218 L233 E293 R294 | I218-Q282 HydrophobicContact CD1-CG 4.33Å; L233-Q282 HydrophobicContact CD1-CG 4.11Å; Q282-E293 PolarHBondContact O-N 3.12Å; Q282-R294 HydrophobicContact CB-CB 4.18Å; Q282-R294 PolarHBondContact N-O 3.21Å; Q282-R294 PolarHBondContact O-N 3.31Å |
| 283 | I | 89.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150.7 | -178.2 | 66.6 | 175.3 | 0 | 0 | 0 | 110 | I166 L168 R231 M232 V234 F290 L291 I292 | I166-I283 HydrophobicContact CD1-CG2 4.31Å; L168-I283 HydrophobicContact CD1-CD1 3.57Å; R231-I283 CarbonylContact C-O 3.53Å; R231-I283 WeakPolarHBondContact CA-O 3.33Å; M232-I283 HydrophobicContact CB-CD1 4.22Å; M232-I283 HydrophobicContact CB-CG1 3.78Å; M232-I283 HydrophobicContact CE-CD1 3.79Å; M232-I283 HydrophobicContact CE-CG1 4.07Å; M232-I283 PolarHBondContact N-O 2.91Å; M232-I283 PolarHBondContact O-N 3.31Å; V234-I283 HydrophobicContact CG2-CD1 3.66Å; V234-I283 HydrophobicContact CG2-CG1 4.17Å; I283-F290 HydrophobicContact CB-CB 4.45Å; I283-F290 HydrophobicContact CB-CD2 4.46Å; I283-F290 HydrophobicContact CD1-CB 4.24Å; I283-F290 HydrophobicContact CD1-CD2 4.39Å; I283-F290 HydrophobicContact CD1-CG 4.24Å; I283-F290 HydrophobicContact CG2-CD2 4.32Å; I283-L291 CarbonylContact C-O 3.49Å; I283-L291 VanDerWaalsContact CA-O 3.27Å; I283-L291 WeakPolarHBondContact CA-O 3.31Å; I283-I292 HydrophobicContact CG2-CG1 4.18Å |
| 284 | R | 86.3 | Confident | 88.4 | Confident | 18 Ų | 18 | 46.7 Ų | 46.7 | 7% | 0.068 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140.4 | 174.7 | -171.4 | -171 | -62.9 | -174 | -3.5 | 108.6 | V37 R228 F290 L291 E293 | V37-R284 PolarHBondContact O-NH1 2.7Å; R228-R284 WeakPolarHBondContact O-CD 3.37Å; R284-F290 CarbonylContact O-C 3.5Å; R284-F290 VanDerWaalsContact O-CA 3.26Å; R284-F290 WeakPolarHBondContact O-CA 3.09Å; R284-F290 WeakPolarHBondContact O-CB 3.43Å; R284-L291 PolarHBondContact N-O 3.44Å; R284-L291 PolarHBondContact O-N 2.94Å; R284-E293 HydrophobicContact CB-CG 4.31Å; R284-E293 IonicContact CZ-OE1 2.87Å; R284-E293 IonicContact NE-OE1 2.69Å; R284-E293 PolarHBondContact NE-OE1 2.87Å; R284-E293 IonicContact NH2-OE1 2.82Å; R284-E293 PolarHBondContact NH2-OE1 2.81Å |
| 285 | G | 83.2 | Confident | 89.2 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 9% | 0.093 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 117 | -146.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S230 M232 | S230-G285 PolarHBondContact O-N 2.75Å; S230-G285 VanDerWaalsContact O-N 3.15Å; M232-G285 VanDerWaalsContact CE-O 3.27Å; M232-G285 WeakPolarHBondContact CE-O 3.22Å |
| 286 | K | 78.6 | Confident | 89.6 | Confident | 150 Ų | 150 | 44.9 Ų | 44.9 | 65% | 0.652 | 21% | 0.208 | S | C | * | . | trans | -114 | 166.3 | 179.5 | -65 | -175.4 | 179.8 | -176.6 | 0 | 110.8 | D288 K289 F290 | K286-D288 WeakPolarHBondContact CB-OD1 3.49Å; K286-D288 PolarHBondContact O-N 3.3Å; K286-K289 PolarHBondContact N-O 3.35Å; K286-K289 CarbonylContact O-C 3.45Å; K286-K289 PolarHBondContact O-N 3.29Å; K286-K289 VanDerWaalsContact O-O 3.07Å; K286-F290 WeakPolarHBondContact O-CB 3.26Å | ||
| 287 | R | 77.8 | Confident | 89.9 | Confident | 67 Ų | 67 | 42.1 Ų | 42.1 | 25% | 0.253 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -60.5 | -30.5 | -178.2 | -67.5 | -173.4 | 177.1 | -160.7 | 4.4 | 114.2 | L168 E179 T196 | L168-R287 HydrophobicContact CB-CB 4.26Å; E179-R287 IonicContact OE1-CZ 3.52Å; E179-R287 IonicContact OE1-NH1 3.02Å; E179-R287 PolarHBondContact OE1-NH1 3.25Å; E179-R287 IonicContact OE1-NH2 2.7Å; E179-R287 PolarHBondContact OE1-NH2 2.84Å; E179-R287 IonicContact OE2-NH1 3.43Å; T196-R287 PolarHBondContact OG1-NH2 3.22Å |
| 288 | D | 75.4 | Confident | 89.9 | Confident | 93 Ų | 93 | 43.9 Ų | 43.9 | 50% | 0.497 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -86.2 | -27.9 | 177.4 | 63.2 | -48.8 | 0 | 0 | 0 | 113.1 | K286 | K286-D288 WeakPolarHBondContact CB-OD1 3.49Å; K286-D288 PolarHBondContact O-N 3.3Å |
| 289 | K | 81.7 | Confident | 89.8 | Confident | 128 Ų | 128 | 41.4 Ų | 41.4 | 56% | 0.557 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -142.3 | 102 | -178.2 | -68.6 | -176 | -177.7 | -178.1 | 0 | 110.6 | Y41 K286 | Y41-K289 HydrophobicContact CG-CB 4.48Å; K286-K289 PolarHBondContact N-O 3.35Å; K286-K289 CarbonylContact O-C 3.45Å; K286-K289 PolarHBondContact O-N 3.29Å; K286-K289 VanDerWaalsContact O-O 3.07Å |
| 290 | F | 87.6 | Confident | 89.6 | Confident | 14 Ų | 14 | 43.7 Ų | 43.7 | 6% | 0.061 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 159.3 | -177.1 | 55.7 | -88.8 | 0 | 0 | 0 | 112.6 | S40 I166 L168 I283 R284 K286 I292 | S40-F290 CarbonylContact O-C 3.38Å; S40-F290 WeakPolarHBondContact O-CA 3.5Å; I166-F290 HydrophobicContact CB-CZ 4.28Å; I166-F290 HydrophobicContact CD1-CE2 3.99Å; L168-F290 HydrophobicContact CD1-CD1 3.73Å; L168-F290 HydrophobicContact CD1-CE1 3.67Å; L168-F290 HydrophobicContact CD1-CG 4.32Å; L168-F290 HydrophobicContact CD1-CZ 4.21Å; L168-F290 HydrophobicContact CG-CE1 4.3Å; I283-F290 HydrophobicContact CB-CB 4.45Å; I283-F290 HydrophobicContact CB-CD2 4.46Å; I283-F290 HydrophobicContact CD1-CB 4.24Å; I283-F290 HydrophobicContact CD1-CD2 4.39Å; I283-F290 HydrophobicContact CD1-CG 4.24Å; I283-F290 HydrophobicContact CG2-CD2 4.32Å; R284-F290 CarbonylContact O-C 3.5Å; R284-F290 VanDerWaalsContact O-CA 3.26Å; R284-F290 WeakPolarHBondContact O-CA 3.09Å; R284-F290 WeakPolarHBondContact O-CB 3.43Å; K286-F290 WeakPolarHBondContact O-CB 3.26Å; F290-I292 HydrophobicContact CD2-CG1 4.25Å; F290-I292 HydrophobicContact CE2-CD1 4.49Å; F290-I292 HydrophobicContact CE2-CG1 4.18Å |
| 291 | L | 89.9 | Confident | 89.3 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.7 | 169.9 | -175.9 | 68.7 | 0 | 0 | 0 | 109.3 | V37 E39 S40 F42 Y48 I283 R284 L323 | V37-L291 HydrophobicContact CG1-CD2 3.76Å; E39-L291 VanDerWaalsContact O-CD2 3.31Å; E39-L291 WeakPolarHBondContact O-CD2 3.45Å; S40-L291 PolarHBondContact O-N 2.7Å; S40-L291 VanDerWaalsContact O-N 3.09Å; F42-L291 HydrophobicContact CD1-CD1 3.63Å; F42-L291 HydrophobicContact CE1-CD1 3.49Å; F42-L291 VanDerWaalsContact CE1-CD1 3.49Å; F42-L291 HydrophobicContact CE2-CD1 4.41Å; F42-L291 HydrophobicContact CG-CD1 4.15Å; F42-L291 HydrophobicContact CZ-CD1 3.93Å; Y48-L291 HydrophobicContact CD1-CD1 4.16Å; Y48-L291 HydrophobicContact CE1-CD1 3.78Å; I283-L291 CarbonylContact C-O 3.49Å; I283-L291 VanDerWaalsContact CA-O 3.27Å; I283-L291 WeakPolarHBondContact CA-O 3.31Å; R284-L291 PolarHBondContact N-O 3.44Å; R284-L291 PolarHBondContact O-N 2.94Å; L291-L323 HydrophobicContact CD1-CD2 4.45Å; L291-L323 HydrophobicContact CD2-CD2 3.78Å; L291-L323 HydrophobicContact CG-CD2 4.17Å |
| 292 | I | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116.8 | 174.5 | -60.6 | 172 | 0 | 0 | 0 | 108.9 | F42 F50 F164 I166 I283 F290 V295 | F42-I292 HydrophobicContact CE2-CG1 4.37Å; F42-I292 HydrophobicContact CZ-CB 4.3Å; F42-I292 HydrophobicContact CZ-CG1 4.44Å; F50-I292 WeakPolarHBondContact CE1-O 3.4Å; F164-I292 HydrophobicContact CD1-CD1 3.92Å; I166-I292 HydrophobicContact CD1-CD1 3.73Å; I166-I292 HydrophobicContact CD1-CG1 3.98Å; I283-I292 HydrophobicContact CG2-CG1 4.18Å; F290-I292 HydrophobicContact CD2-CG1 4.25Å; F290-I292 HydrophobicContact CE2-CD1 4.49Å; F290-I292 HydrophobicContact CE2-CG1 4.18Å; I292-V295 HydrophobicContact CG2-CG2 3.33Å |
| 293 | E | 91.2 | Very high | 88.3 | Confident | 8 Ų | 8 | 36.6 Ų | 36.6 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -44 | 176.9 | -63 | -174.3 | 141.2 | 0 | 0 | 111.6 | R231 Q282 R284 L323 | R231-E293 IonicContact NE-OE1 2.83Å; R231-E293 IonicContact NE-OE2 3.01Å; Q282-E293 PolarHBondContact O-N 3.12Å; R284-E293 HydrophobicContact CB-CG 4.31Å; R284-E293 IonicContact CZ-OE1 2.87Å; R284-E293 IonicContact NE-OE1 2.69Å; R284-E293 PolarHBondContact NE-OE1 2.87Å; R284-E293 IonicContact NH2-OE1 2.82Å; R284-E293 PolarHBondContact NH2-OE1 2.81Å; E293-L323 WeakPolarHBondContact O-CB 3.2Å; E293-L323 PolarHBondContact O-N 2.89Å |
| 294 | R | 94 | Very high | 87.3 | Confident | 90 Ų | 90 | 37.2 Ų | 37.2 | 34% | 0.34 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 141.3 | -177 | -173.8 | -179.2 | -179.1 | 149.8 | -2 | 111 | Y281 Q282 E296 L321 | Y281-R294 CarbonylContact C-O 3.56Å; Y281-R294 WeakPolarHBondContact CA-O 3.3Å; Q282-R294 HydrophobicContact CB-CB 4.18Å; Q282-R294 PolarHBondContact N-O 3.21Å; Q282-R294 PolarHBondContact O-N 3.31Å; R294-E296 HydrophobicContact CG-CG 4.48Å; R294-E296 IonicContact CZ-OE1 3.76Å; R294-E296 IonicContact NE-OE1 3.23Å; R294-E296 PolarHBondContact NE-OE1 2.97Å; R294-E296 IonicContact NH2-OE1 2.55Å; R294-E296 PolarHBondContact NH2-OE1 3.07Å; R294-L321 CarbonylContact C-O 3.54Å; R294-L321 VanDerWaalsContact CA-O 3.29Å; R294-L321 WeakPolarHBondContact CA-O 3.27Å |
| 295 | V | 96.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 139 | 172.7 | -167.5 | 0 | 0 | 0 | 0 | 109.3 | L163 I279 R280 Y281 I292 S320 L321 | L163-V295 HydrophobicContact CB-CG1 4.21Å; L163-V295 HydrophobicContact CD2-CG1 4.05Å; I279-V295 HydrophobicContact CG2-CG1 3.42Å; I279-V295 VanDerWaalsContact CG2-CG1 3.42Å; R280-V295 CarbonylContact O-C 3.59Å; R280-V295 WeakPolarHBondContact O-CA 3.35Å; Y281-V295 HydrophobicContact CD1-CB 4.19Å; Y281-V295 HydrophobicContact CD1-CG1 3.67Å; Y281-V295 HydrophobicContact CD1-CG2 3.61Å; Y281-V295 HydrophobicContact CE1-CB 4.44Å; Y281-V295 HydrophobicContact CE1-CG1 3.58Å; Y281-V295 HydrophobicContact CE1-CG2 3.99Å; Y281-V295 HydrophobicContact CG-CG1 4.34Å; I292-V295 HydrophobicContact CG2-CG2 3.33Å; V295-S320 CarbonylContact O-C 3.52Å; V295-S320 WeakPolarHBondContact O-CA 3.34Å; V295-L321 HydrophobicContact CB-CB 4.09Å; V295-L321 HydrophobicContact CG2-CB 4.25Å; V295-L321 HydrophobicContact CG2-CD2 4.47Å; V295-L321 PolarHBondContact N-O 2.78Å; V295-L321 PolarHBondContact O-N 2.63Å |
| 296 | E | 96.1 | Very high | 84.7 | Confident | 50 Ų | 50 | 37.4 Ų | 37.4 | 23% | 0.234 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 117.6 | 174.7 | -63.9 | -177.2 | 154.1 | 0 | 0 | 110.3 | I279 R280 R294 A319 | I279-E296 CarbonylContact C-O 3.53Å; I279-E296 WeakPolarHBondContact CA-O 3.43Å; R280-E296 IonicContact CZ-OE2 3.91Å; R280-E296 PolarHBondContact N-O 3Å; R280-E296 IonicContact NE-OE2 3.91Å; R280-E296 PolarHBondContact NE-OE2 3.19Å; R280-E296 IonicContact NH2-OE2 3.83Å; R280-E296 PolarHBondContact NH2-OE2 2.97Å; R280-E296 PolarHBondContact O-N 2.85Å; R294-E296 HydrophobicContact CG-CG 4.48Å; R294-E296 IonicContact CZ-OE1 3.76Å; R294-E296 IonicContact NE-OE1 3.23Å; R294-E296 PolarHBondContact NE-OE1 2.97Å; R294-E296 IonicContact NH2-OE1 2.55Å; R294-E296 PolarHBondContact NH2-OE1 3.07Å; E296-A319 WeakPolarHBondContact CA-O 3.38Å |
| 297 | L | 96 | Very high | 83.1 | Confident | 7 Ų | 7 | 31 Ų | 31 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 134.8 | 178.6 | 169.5 | 72.9 | 0 | 0 | 0 | 109.8 | L163 T277 I279 N299 K318 A319 A920 I921 | L163-L297 HydrophobicContact CD2-CB 3.98Å; L163-L297 HydrophobicContact CD2-CD2 4.26Å; T277-L297 HydrophobicContact CG2-CD1 3.71Å; I279-L297 HydrophobicContact CD1-CD1 3.94Å; I279-L297 HydrophobicContact CG1-CD1 3.66Å; L297-N299 HydrophobicContact CD1-CB 4.43Å; L297-K318 VanDerWaalsContact O-CA 3.29Å; L297-K318 WeakPolarHBondContact O-CA 3.25Å; L297-A319 HydrophobicContact CB-CB 4.03Å; L297-A319 HydrophobicContact CD2-CB 3.82Å; L297-A319 HydrophobicContact CG-CB 4.47Å; L297-A319 PolarHBondContact N-O 3.02Å; L297-A319 PolarHBondContact O-N 3.43Å; L297-A920 HydrophobicContact CD1-CB 3.76Å; L297-A920 HydrophobicContact CD2-CB 3.68Å; L297-A920 HydrophobicContact CG-CB 4.27Å; L297-I921 HydrophobicContact CD2-CG2 3.62Å |
| 298 | S | 95.2 | Very high | 81.4 | Confident | 37 Ų | 37 | 28.8 Ų | 28.8 | 26% | 0.259 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 119.6 | 164.5 | -158.4 | 0 | 0 | 0 | 0 | 108.9 | T277 T278 I317 | T277-S298 WeakPolarHBondContact CA-O 3.4Å; T278-S298 PolarHBondContact N-O 3.33Å; T278-S298 PolarHBondContact O-N 2.82Å; S298-I317 WeakPolarHBondContact CA-O 3.49Å |
| 299 | N | 93.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 109.3 | 179.4 | 169.1 | -138.4 | 0 | 0 | 0 | 108.8 | E206 S276 T277 L297 H301 I317 A920 | E206-N299 PolarHBondContact OE1-ND2 3.4Å; S276-N299 CarbonylContact O-C 3.54Å; S276-N299 VanDerWaalsContact O-CA 3.29Å; S276-N299 WeakPolarHBondContact O-CA 3.47Å; S276-N299 PolarHBondContact O-ND2 3.13Å; T277-N299 HydrophobicContact CG2-CB 4.47Å; T277-N299 PolarHBondContact OG1-ND2 3.45Å; L297-N299 HydrophobicContact CD1-CB 4.43Å; N299-H301 PolarHBondContact OD1-NE2 3.36Å; N299-I317 HydrophobicContact CB-CB 4.06Å; N299-I317 PolarHBondContact N-O 3.08Å; N299-I317 WeakPolarHBondContact O-CA 3.45Å; N299-I317 VanDerWaalsContact O-CB 3.25Å; N299-I317 WeakPolarHBondContact O-CB 2.99Å; N299-I317 PolarHBondContact O-N 3.48Å; N299-A920 HydrophobicContact CB-CB 3.82Å; N299-A920 PolarHBondContact OD1-N 2.82Å |
| 300 | D | 92.4 | Very high | 78.7 | Confident | 47 Ų | 47 | 28.1 Ų | 28.1 | 25% | 0.251 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.6 | -173.7 | -70.8 | -15.5 | 0 | 0 | 0 | 109.9 | S275 S276 V315 | S275-D300 WeakPolarHBondContact CA-O 3.48Å; S276-D300 PolarHBondContact N-O 3.39Å; S276-D300 PolarHBondContact O-N 2.82Å; D300-V315 WeakPolarHBondContact CA-O 3.49Å |
| 301 | H | 90.5 | Very high | 77.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122 | 168.9 | -50.3 | -88.7 | 0 | 0 | 0 | 110.3 | V273 E274 S275 N299 I303 V315 L925 | V273-H301 HydrophobicContact CG1-CB 4.39Å; E274-H301 CarbonylContact O-C 3.55Å; E274-H301 VanDerWaalsContact O-CA 3.26Å; E274-H301 WeakPolarHBondContact O-CA 3.33Å; S275-H301 WeakPolarHBondContact CB-ND1 3.25Å; S275-H301 PolarHBondContact OG-ND1 3.09Å; N299-H301 PolarHBondContact OD1-NE2 3.36Å; H301-I303 HydrophobicContact CB-CD1 4.22Å; H301-V315 HydrophobicContact CB-CB 4.15Å; H301-V315 PolarHBondContact N-O 2.85Å; H301-V315 PolarHBondContact O-N 2.86Å; H301-L925 HydrophobicContact CB-CD2 3.75Å |
| 302 | V | 86.2 | Confident | 76.4 | Confident | 46 Ų | 46 | 27.8 Ų | 27.8 | 28% | 0.279 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 113.7 | 178.7 | -177.4 | 0 | 0 | 0 | 0 | 108.5 | V273 E274 A312 | V273-V302 CarbonylContact C-O 3.56Å; V273-V302 WeakPolarHBondContact CA-O 3.02Å; E274-V302 HydrophobicContact CB-CB 4.42Å; E274-V302 PolarHBondContact N-O 3.24Å; E274-V302 PolarHBondContact O-N 3.35Å; V302-A312 HydrophobicContact CG1-CB 3.55Å |
| 303 | I | 80.7 | Confident | 76 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 100.4 | -178.9 | -55.1 | 86.6 | 0 | 0 | 0 | 108.9 | S272 V273 H301 A312 V313 V315 I927 V967 | S272-I303 WeakPolarHBondContact O-CA 3.03Å; V273-I303 HydrophobicContact CG1-CG1 4.27Å; V273-I303 HydrophobicContact CG2-CG1 4.19Å; H301-I303 HydrophobicContact CB-CD1 4.22Å; I303-A312 WeakPolarHBondContact O-CA 3.38Å; I303-V313 HydrophobicContact CB-CB 4.3Å; I303-V313 HydrophobicContact CD1-CG1 4.48Å; I303-V313 WeakPolarHBondContact CD1-O 3.35Å; I303-V313 PolarHBondContact N-O 3.21Å; I303-V313 PolarHBondContact O-N 2.59Å; I303-V315 HydrophobicContact CD1-CG2 3.87Å; I303-I927 HydrophobicContact CG1-CD1 3.74Å; I303-I927 HydrophobicContact CG1-CG1 4.4Å; I303-I927 HydrophobicContact CG2-CD1 4.44Å; I303-V967 HydrophobicContact CD1-CG1 3.99Å |
| 304 | A | 68.5 | Low | 75.9 | Confident | 14 Ų | 14 | 28.2 Ų | 28.2 | 12% | 0.116 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 132.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S272 R779 | S272-A304 PolarHBondContact O-N 3.21Å; A304-R779 PolarHBondContact O-NH1 3.18Å |
| 305 | Q | 60.5 | Low | 75.9 | Confident | 12 Ų | 12 | 24 Ų | 24 | 6% | 0.056 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -90.2 | -31.4 | 174.6 | -62.2 | -172.7 | 26.9 | 0 | 0 | 113.6 | S311 R779 L980 | Q305-S311 WeakPolarHBondContact CB-O 3.43Å; Q305-S311 WeakPolarHBondContact CG-O 3.29Å; Q305-S311 PolarHBondContact N-O 2.86Å; Q305-S311 VanDerWaalsContact N-O 3.15Å; Q305-R779 PolarHBondContact O-NE 3.27Å; Q305-R779 PolarHBondContact O-NH2 3.09Å; Q305-L980 HydrophobicContact CG-CD1 3.83Å; Q305-L980 VanDerWaalsContact NE2-CD2 3.29Å |
| 306 | Q | 53.3 | Low | 75.7 | Confident | 18 Ų | 18 | 25.8 Ų | 25.8 | 8% | 0.084 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -142.7 | -61 | 176.4 | -71 | 175.2 | 80.8 | 0 | 0 | 108.1 | F1092 | Q306-F1092 HydrophobicContact CG-CB 3.79Å; Q306-F1092 PolarHBondContact NE2-O 3.26Å |
| 307 | N | 46.4 | Very low | 75.7 | Confident | 15 Ų | 15 | 23.4 Ų | 23.4 | 8% | 0.08 | 13% | 0.13 | C | C | . | . | trans | -129.2 | 150.1 | -178.3 | -65.6 | -10.7 | 0 | 0 | 0 | 109.9 | D309 E747 K748 | N307-D309 PolarHBondContact O-N 3.4Å; N307-E747 PolarHBondContact ND2-O 3.2Å; N307-E747 PolarHBondContact OD1-O 3.13Å; N307-K748 WeakPolarHBondContact OD1-CA 3.18Å | ||
| 308 | A | 42.2 | Very low | 75.6 | Confident | 22 Ų | 22 | 25.6 Ų | 25.6 | 18% | 0.182 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -42.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E270 | E270-A308 WeakPolarHBondContact OE2-CB 3.5Š|
| 309 | D | 47.2 | Very low | 75.6 | Confident | 94 Ų | 94 | 23.9 Ų | 23.9 | 50% | 0.503 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -12.5 | -162.8 | -57 | -40.4 | 0 | 0 | 0 | 115.3 | R267 N307 | R267-D309 VanDerWaalsContact CD-OD2 3.24Å; R267-D309 WeakPolarHBondContact CD-OD2 3.45Å; R267-D309 IonicContact CZ-OD2 3.76Å; R267-D309 IonicContact NE-OD2 3.26Å; R267-D309 IonicContact NH1-OD2 3.91Å; R267-D309 PolarHBondContact NH1-OD2 2.88Å; N307-D309 PolarHBondContact O-N 3.4Å |
| 310 | E | 52.2 | Low | 75.7 | Confident | 112 Ų | 112 | 24.9 Ų | 24.9 | 52% | 0.523 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -14.8 | -166.1 | -68.5 | -172.5 | 167 | 0 | 0 | 115.8 | H63 | H63-E310 PolarHBondContact NE2-O 3.31Å; H63-E310 VanDerWaalsContact NE2-O 3.14Å |
| 311 | S | 58.4 | Low | 75.9 | Confident | 4 Ų | 4 | 22.7 Ų | 22.7 | 3% | 0.028 | 12% | 0.122 | C | C | . | . | trans | -176.1 | 96.9 | 172 | 10.5 | 0 | 0 | 0 | 0 | 112.7 | Q305 | Q305-S311 WeakPolarHBondContact CB-O 3.43Å; Q305-S311 WeakPolarHBondContact CG-O 3.29Å; Q305-S311 PolarHBondContact N-O 2.86Å; Q305-S311 VanDerWaalsContact N-O 3.15Å | ||
| 312 | A | 70.9 | Confident | 76.1 | Confident | 3 Ų | 3 | 24.7 Ų | 24.7 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 142.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V302 I303 V314 | V302-A312 HydrophobicContact CG1-CB 3.55Å; I303-A312 WeakPolarHBondContact O-CA 3.38Å; A312-V314 HydrophobicContact CB-CG2 4.38Å |
| 313 | V | 84 | Confident | 76.5 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 124.8 | 159.4 | 174.7 | 0 | 0 | 0 | 0 | 106.5 | I58 G59 V60 I303 V967 I978 L980 | I58-V313 HydrophobicContact CG2-CG1 4.08Å; G59-V313 WeakPolarHBondContact O-CA 3.37Å; V60-V313 HydrophobicContact CG2-CG2 4.27Å; I303-V313 HydrophobicContact CB-CB 4.3Å; I303-V313 HydrophobicContact CD1-CG1 4.48Å; I303-V313 WeakPolarHBondContact CD1-O 3.35Å; I303-V313 PolarHBondContact N-O 3.21Å; I303-V313 PolarHBondContact O-N 2.59Å; V313-V967 HydrophobicContact CB-CG2 4.49Å; V313-V967 HydrophobicContact CG1-CB 4.08Å; V313-V967 HydrophobicContact CG1-CG1 3.99Å; V313-V967 HydrophobicContact CG1-CG2 4.22Å; V313-I978 HydrophobicContact CG1-CG2 3.59Å; V313-I978 HydrophobicContact CG2-CG2 4.11Å; V313-L980 HydrophobicContact CG2-CD1 3.77Å; V313-L980 HydrophobicContact CG2-CD2 4.32Å; V313-L980 HydrophobicContact CG2-CG 4.31Å |
| 314 | V | 88.8 | Confident | 76.9 | Confident | 18 Ų | 18 | 25.1 Ų | 25.1 | 11% | 0.109 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.2 | 178.4 | -174.8 | 0 | 0 | 0 | 0 | 108.5 | G59 P61 A312 K316 | G59-V314 PolarHBondContact N-O 2.81Å; G59-V314 VanDerWaalsContact N-O 3.11Å; G59-V314 PolarHBondContact O-N 2.91Å; P61-V314 HydrophobicContact CG-CB 3.95Å; P61-V314 HydrophobicContact CG-CG2 3.59Å; A312-V314 HydrophobicContact CB-CG2 4.38Å; V314-K316 HydrophobicContact CG1-CG 3.73Å |
| 315 | V | 93.4 | Very high | 77.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 106.1 | 171 | 179.8 | 0 | 0 | 0 | 0 | 106.5 | V56 K57 I58 D300 H301 I303 I317 L925 V967 | V56-V315 HydrophobicContact CG1-CG1 4.26Å; K57-V315 CarbonylContact O-C 3.48Å; K57-V315 WeakPolarHBondContact O-CA 3.41Å; I58-V315 HydrophobicContact CD1-CG1 4.34Å; I58-V315 HydrophobicContact CD1-CG2 4.31Å; I58-V315 HydrophobicContact CG1-CB 4.36Å; I58-V315 HydrophobicContact CG1-CG1 3.99Å; I58-V315 HydrophobicContact CG1-CG2 4.02Å; I58-V315 HydrophobicContact CG2-CG2 4.2Å; D300-V315 WeakPolarHBondContact CA-O 3.49Å; H301-V315 HydrophobicContact CB-CB 4.15Å; H301-V315 PolarHBondContact N-O 2.85Å; H301-V315 PolarHBondContact O-N 2.86Å; I303-V315 HydrophobicContact CD1-CG2 3.87Å; V315-I317 HydrophobicContact CG1-CD1 4.16Å; V315-I317 HydrophobicContact CG1-CG1 4.03Å; V315-L925 HydrophobicContact CG1-CD1 4.41Å; V315-L925 HydrophobicContact CG2-CD1 3.91Å; V315-V967 HydrophobicContact CG2-CG1 3.84Å |
| 316 | K | 93.5 | Very high | 79.1 | Confident | 39 Ų | 39 | 25.4 Ų | 25.4 | 17% | 0.17 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 123.9 | 175.4 | -65.3 | -166.3 | 167.6 | -179.9 | 0 | 109.4 | K57 D106 V314 | K57-K316 PolarHBondContact N-O 3.48Å; K57-K316 PolarHBondContact O-N 2.55Å; D106-K316 IonicContact OD1-NZ 2.59Å; D106-K316 PolarHBondContact OD1-NZ 2.7Å; V314-K316 HydrophobicContact CG1-CG 3.73Å |
| 317 | I | 94.7 | Very high | 80.4 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.8 | 178.7 | -56.3 | -179.1 | 0 | 0 | 0 | 107.9 | Q55 V56 S298 N299 V315 T919 I921 | Q55-I317 WeakPolarHBondContact O-CA 3.26Å; V56-I317 HydrophobicContact CG1-CG1 4.17Å; V56-I317 HydrophobicContact CG2-CD1 4.44Å; V56-I317 HydrophobicContact CG2-CG1 4.2Å; V56-I317 HydrophobicContact CG2-CG2 4.37Å; S298-I317 WeakPolarHBondContact CA-O 3.49Å; N299-I317 HydrophobicContact CB-CB 4.06Å; N299-I317 PolarHBondContact N-O 3.08Å; N299-I317 WeakPolarHBondContact O-CA 3.45Å; N299-I317 VanDerWaalsContact O-CB 3.25Å; N299-I317 WeakPolarHBondContact O-CB 2.99Å; N299-I317 PolarHBondContact O-N 3.48Å; V315-I317 HydrophobicContact CG1-CD1 4.16Å; V315-I317 HydrophobicContact CG1-CG1 4.03Å; I317-T919 VanDerWaalsContact CD1-CB 3.46Å; I317-T919 HydrophobicContact CD1-CG2 3.36Å; I317-I921 HydrophobicContact CG2-CB 4.32Å; I317-I921 HydrophobicContact CG2-CD1 3.85Å; I317-I921 HydrophobicContact CG2-CG1 3.86Å; I317-I921 HydrophobicContact CG2-CG2 3.55Å |
| 318 | K | 94.9 | Very high | 81.6 | Confident | 52 Ų | 52 | 35.3 Ų | 35.3 | 23% | 0.226 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 137 | 175.2 | -63.8 | -159.1 | 173.9 | -152 | 0 | 109.9 | G54 Q55 D106 M108 L297 | G54-K318 CarbonylContact C-O 3.57Å; G54-K318 WeakPolarHBondContact CA-O 3.15Å; Q55-K318 PolarHBondContact N-O 2.7Å; Q55-K318 PolarHBondContact O-N 3.17Å; D106-K318 WeakPolarHBondContact O-CE 3.38Å; D106-K318 PolarHBondContact O-NZ 2.81Å; M108-K318 HydrophobicContact CE-CB 3.96Å; L297-K318 VanDerWaalsContact O-CA 3.29Å; L297-K318 WeakPolarHBondContact O-CA 3.25Å |
| 319 | A | 96 | Very high | 82.7 | Confident | 2 Ų | 2 | 36.7 Ų | 36.7 | 2% | 0.017 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 153.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y52 N53 L163 E296 L297 I921 | Y52-A319 HydrophobicContact CE2-CB 4.09Å; N53-A319 CarbonylContact O-C 3.54Å; N53-A319 WeakPolarHBondContact O-CA 3.42Å; N53-A319 WeakPolarHBondContact O-CB 3.41Å; L163-A319 HydrophobicContact CD1-CB 4.47Å; E296-A319 WeakPolarHBondContact CA-O 3.38Å; L297-A319 HydrophobicContact CB-CB 4.03Å; L297-A319 HydrophobicContact CD2-CB 3.82Å; L297-A319 HydrophobicContact CG-CB 4.47Å; L297-A319 PolarHBondContact N-O 3.02Å; L297-A319 PolarHBondContact O-N 3.43Å; A319-I921 HydrophobicContact CB-CG2 3.84Å |
| 320 | S | 95.8 | Very high | 83.1 | Confident | 21 Ų | 21 | 39.3 Ų | 39.3 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 143.7 | 171.9 | 66.1 | 0 | 0 | 0 | 0 | 111.6 | Y52 N53 V295 | Y52-S320 CarbonylContact C-O 3.54Å; Y52-S320 WeakPolarHBondContact CA-O 3.34Å; N53-S320 PolarHBondContact N-O 2.92Å; N53-S320 PolarHBondContact ND2-OG 3.48Å; N53-S320 PolarHBondContact O-N 2.98Å; V295-S320 CarbonylContact O-C 3.52Å; V295-S320 WeakPolarHBondContact O-CA 3.34Å |
| 321 | L | 96 | Very high | 83.1 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 118.4 | 173.2 | -170.3 | 75.2 | 0 | 0 | 0 | 107.5 | F50 K51 Y52 V76 L163 F164 R294 V295 | F50-L321 HydrophobicContact CB-CD1 3.59Å; F50-L321 HydrophobicContact CB-CG 3.94Å; F50-L321 HydrophobicContact CD1-CD1 4.37Å; F50-L321 HydrophobicContact CD1-CD2 4.02Å; F50-L321 HydrophobicContact CD1-CG 3.77Å; F50-L321 HydrophobicContact CE1-CD2 4.42Å; F50-L321 HydrophobicContact CG-CD1 4.17Å; F50-L321 HydrophobicContact CG-CD2 4.32Å; F50-L321 HydrophobicContact CG-CG 4.06Å; K51-L321 WeakPolarHBondContact O-CA 3.47Å; Y52-L321 HydrophobicContact CD2-CD1 4.11Å; V76-L321 HydrophobicContact CB-CD1 4.41Å; V76-L321 HydrophobicContact CG2-CD1 4.33Å; L163-L321 HydrophobicContact CB-CD2 4.35Å; L163-L321 HydrophobicContact CD1-CB 3.96Å; F164-L321 HydrophobicContact CD2-CD2 4.4Å; F164-L321 HydrophobicContact CE1-CD2 4Å; F164-L321 HydrophobicContact CE2-CD2 3.7Å; F164-L321 HydrophobicContact CZ-CD2 3.48Å; F164-L321 VanDerWaalsContact CZ-CD2 3.48Å; R294-L321 CarbonylContact C-O 3.54Å; R294-L321 VanDerWaalsContact CA-O 3.29Å; R294-L321 WeakPolarHBondContact CA-O 3.27Å; V295-L321 HydrophobicContact CB-CB 4.09Å; V295-L321 HydrophobicContact CG2-CB 4.25Å; V295-L321 HydrophobicContact CG2-CD2 4.47Å; V295-L321 PolarHBondContact N-O 2.78Å; V295-L321 PolarHBondContact O-N 2.63Å |
| 322 | K | 94.8 | Very high | 82.5 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 18% | 0.183 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 127.1 | -177.6 | -176.8 | 178.7 | 178.3 | 179.1 | 0 | 110.4 | D30 F50 K51 | D30-K322 PolarHBondContact O-NZ 3.23Å; F50-K322 CarbonylContact C-O 3.48Å; F50-K322 VanDerWaalsContact CA-O 3.24Å; F50-K322 WeakPolarHBondContact CA-O 3.32Å; K51-K322 PolarHBondContact N-O 2.98Å; K51-K322 PolarHBondContact O-N 3.44Å |
| 323 | L | 93.4 | Very high | 81.2 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 131.3 | 174.9 | -175.9 | 63.2 | 0 | 0 | 0 | 109.8 | V37 Y48 F50 L291 E293 | V37-L323 HydrophobicContact CG1-CD2 3.88Å; V37-L323 HydrophobicContact CG2-CD2 4.27Å; Y48-L323 HydrophobicContact CD1-CD1 4.12Å; F50-L323 HydrophobicContact CD1-CB 3.99Å; F50-L323 HydrophobicContact CD1-CD1 4.19Å; F50-L323 HydrophobicContact CD2-CD1 4.4Å; F50-L323 HydrophobicContact CE1-CB 3.73Å; F50-L323 HydrophobicContact CE1-CD1 3.81Å; F50-L323 HydrophobicContact CE1-CG 4.31Å; F50-L323 HydrophobicContact CE2-CD1 4.03Å; F50-L323 HydrophobicContact CG-CD1 4.48Å; F50-L323 HydrophobicContact CZ-CB 4.46Å; F50-L323 HydrophobicContact CZ-CD1 3.71Å; L291-L323 HydrophobicContact CD1-CD2 4.45Å; L291-L323 HydrophobicContact CD2-CD2 3.78Å; L291-L323 HydrophobicContact CG-CD2 4.17Å; E293-L323 WeakPolarHBondContact O-CB 3.2Å; E293-L323 PolarHBondContact O-N 2.89Å |
| 324 | V | 89.6 | Confident | 79.6 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 33% | 0.333 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -46.3 | -177.5 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | V32 K49 K51 | V32-V324 HydrophobicContact CG1-CG1 4.12Å; K49-V324 WeakPolarHBondContact O-CB 3.5Å; K49-V324 PolarHBondContact O-N 3.12Å; K51-V324 HydrophobicContact CB-CG2 3.95Å |
| 325 | S | 88.7 | Confident | 77.8 | Confident | 24 Ų | 24 | 54.7 Ų | 54.7 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 154.3 | -177.8 | 63.3 | 0 | 0 | 0 | 0 | 112 | K49 | K49-S325 PolarHBondContact N-O 2.85Å; K49-S325 PolarHBondContact O-N 2.75Å |
| 326 | S | 85.9 | Confident | 76.1 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 143.9 | 163.8 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | N36 E39 K47 | N36-S326 PolarHBondContact O-OG 2.8Å; E39-S326 WeakPolarHBondContact OE1-CB 3.37Å; E39-S326 PolarHBondContact OE1-OG 2.93Å; E39-S326 VanDerWaalsContact OE1-OG 3.11Å; E39-S326 PolarHBondContact OE2-OG 3.05Å; K47-S326 WeakPolarHBondContact O-CA 3.2Å |
| 327 | Q | 82.5 | Confident | 74 | Confident | 110 Ų | 110 | 56.5 Ų | 56.5 | 51% | 0.514 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 140.5 | 176.8 | -64.4 | 178.8 | -7.5 | 0 | 0 | 109.3 | Q46 K47 | Q46-Q327 VanDerWaalsContact CD-C 3.45Å; Q46-Q327 VanDerWaalsContact CD-O 3.32Å; Q46-Q327 VanDerWaalsContact NE2-C 3.28Å; Q46-Q327 PolarHBondContact OE1-O 2.82Å; K47-Q327 PolarHBondContact N-O 2.82Å; K47-Q327 PolarHBondContact O-N 2.82Å |
| 328 | E | 70.9 | Confident | 72.1 | Confident | 131 Ų | 131 | 63.1 Ų | 63.1 | 61% | 0.612 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 132.7 | 168.6 | -78.6 | -179.7 | 175.1 | 0 | 0 | 109.7 | N330 | E328-N330 VanDerWaalsContact C-N 3.35Å; E328-N330 PolarHBondContact O-N 3.15Å |
| 329 | S | 64.5 | Low | 70.6 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 36% | 0.357 | 36% | 0.357 | S | S | . | . | trans | -77.7 | 86 | 178.3 | 83.7 | 0 | 0 | 0 | 0 | 110.2 | N45 D331 | N45-S329 VanDerWaalsContact O-CB 3.29Å; N45-S329 WeakPolarHBondContact O-CB 3.36Å; N45-S329 PolarHBondContact O-N 2.84Å; N45-S329 PolarHBondContact O-OG 2.87Å; N45-S329 VanDerWaalsContact O-OG 3.07Å; S329-D331 PolarHBondContact O-N 3.38Å; S329-D331 VanDerWaalsContact O-N 3.17Å | ||
| 330 | N | 55.8 | Low | 68.8 | Low | 148 Ų | 148 | 63.9 Ų | 63.9 | 79% | 0.791 | 37% | 0.374 | S | S | * | . | trans | -75.1 | 7.6 | 179.3 | -76.7 | -16.2 | 0 | 0 | 0 | 114.8 | E328 | E328-N330 VanDerWaalsContact C-N 3.35Å; E328-N330 PolarHBondContact O-N 3.15Å | ||
| 331 | D | 52.1 | Low | 66.8 | Low | 109 Ų | 109 | 67.1 Ų | 67.1 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | trans | -107.5 | 102.1 | -178.7 | -111.6 | -35 | 0 | 0 | 0 | 111.5 | S329 S333 | S329-D331 PolarHBondContact O-N 3.38Å; S329-D331 VanDerWaalsContact O-N 3.17Å; D331-S333 PolarHBondContact O-N 2.76Å; D331-S333 PolarHBondContact OD1-OG 2.99Å | ||
| 332 | G | 46.5 | Very low | 64.5 | Low | 91 Ų | 91 | 73 Ų | 73 | 94% | 0.938 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -66 | 11.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 333 | S | 42.8 | Very low | 62.5 | Low | 80 Ų | 80 | 72.8 Ų | 72.8 | 56% | 0.559 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -110.6 | 35.1 | -177.9 | 69.6 | 0 | 0 | 0 | 0 | 111.8 | D331 E335 | D331-S333 PolarHBondContact O-N 2.76Å; D331-S333 PolarHBondContact OD1-OG 2.99Å; S333-E335 PolarHBondContact O-N 3.14Å |
| 334 | S | 52 | Low | 61.1 | Low | 33 Ų | 33 | 76 Ų | 76 | 23% | 0.231 | 46% | 0.462 | C | S | . | . | trans | -84.6 | 116 | -156.8 | 127.8 | 0 | 0 | 0 | 0 | 113.7 | M336 S337 N338 | S334-M336 PolarHBondContact O-N 3.37Å; S334-M336 PolarHBondContact OG-N 3.3Å; S334-S337 WeakPolarHBondContact CA-OG 3.33Å; S334-S337 WeakPolarHBondContact CB-OG 3.23Å; S334-S337 PolarHBondContact O-N 2.91Å; S334-S337 PolarHBondContact O-OG 3.11Å; S334-S337 WeakPolarHBondContact OG-CA 3.2Å; S334-S337 WeakPolarHBondContact OG-CB 3.37Å; S334-S337 PolarHBondContact OG-N 2.79Å; S334-S337 PolarHBondContact OG-OG 2.76Å; S334-N338 PolarHBondContact O-N 2.83Å | ||
| 335 | E | 51.2 | Low | 60.3 | Low | 147 Ų | 147 | 77.1 Ų | 77.1 | 69% | 0.687 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | -17 | 163.2 | -74 | -169.9 | 162.9 | 0 | 0 | 112.3 | R89 S333 | R89-E335 IonicContact CZ-OE2 3.82Å; R89-E335 IonicContact NH1-OE2 3.71Å; R89-E335 PolarHBondContact NH1-OE2 2.63Å; R89-E335 IonicContact NH2-OE2 3.92Å; S333-E335 PolarHBondContact O-N 3.14Å |
| 336 | M | 55.8 | Low | 59.7 | Low | 25 Ų | 25 | 80.7 Ų | 80.7 | 12% | 0.123 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -13.9 | 175 | -76.7 | 171.5 | 62.2 | 0 | 0 | 114.1 | T77 V79 I87 S334 | T77-M336 HydrophobicContact CG2-CE 4.21Å; T77-M336 HydrophobicContact CG2-SD 4.1Å; V79-M336 HydrophobicContact CB-CE 3.44Å; V79-M336 VanDerWaalsContact CB-CE 3.44Å; V79-M336 HydrophobicContact CG1-CE 4.47Å; V79-M336 HydrophobicContact CG2-CE 3.19Å; V79-M336 HydrophobicContact CG2-SD 4.26Å; I87-M336 HydrophobicContact CB-CE 4.29Å; I87-M336 WeakPolarHBondContact CD1-O 3.38Å; I87-M336 HydrophobicContact CG2-CE 4.09Å; S334-M336 PolarHBondContact O-N 3.37Å; S334-M336 PolarHBondContact OG-N 3.3Å |
| 337 | S | 50.6 | Low | 59.7 | Low | 53 Ų | 53 | 81.6 Ų | 81.6 | 37% | 0.371 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -21 | -179 | 46.5 | 0 | 0 | 0 | 0 | 111.3 | S334 F339 | S334-S337 WeakPolarHBondContact CA-OG 3.33Å; S334-S337 WeakPolarHBondContact CB-OG 3.23Å; S334-S337 PolarHBondContact O-N 2.91Å; S334-S337 PolarHBondContact O-OG 3.11Å; S334-S337 WeakPolarHBondContact OG-CA 3.2Å; S334-S337 WeakPolarHBondContact OG-CB 3.37Å; S334-S337 PolarHBondContact OG-N 2.79Å; S334-S337 PolarHBondContact OG-OG 2.76Å; S337-F339 VanDerWaalsContact C-N 3.26Å; S337-F339 PolarHBondContact O-N 2.8Å |
| 338 | N | 54 | Low | 60 | Low | 138 Ų | 138 | 78.3 Ų | 78.3 | 74% | 0.738 | 47% | 0.474 | S | S | * | . | trans | -89.3 | 49.4 | 167.4 | -74.6 | -12.8 | 0 | 0 | 0 | 111.5 | S334 P340 | S334-N338 PolarHBondContact O-N 2.83Å; N338-P340 VanDerWaalsContact O-CD 3.28Å; N338-P340 WeakPolarHBondContact O-CD 3.45Å; N338-P340 VanDerWaalsContact O-N 3.13Å | ||
| 339 | F | 64.1 | Low | 61 | Low | 13 Ų | 13 | 72.2 Ų | 72.2 | 6% | 0.057 | 45% | 0.445 | C | S | . | . | trans | -63.8 | 113.8 | 166.8 | -164.1 | -97.9 | 0 | 0 | 0 | 107.6 | I87 P130 E132 V144 Q146 S337 A341 Q344 | I87-F339 HydrophobicContact CD1-CB 4.48Å; P130-F339 HydrophobicContact CB-CD2 4.47Å; P130-F339 HydrophobicContact CB-CE2 4.37Å; P130-F339 HydrophobicContact CG-CD2 4.18Å; P130-F339 HydrophobicContact CG-CE2 4.17Å; E132-F339 HydrophobicContact CB-CD1 4.34Å; E132-F339 HydrophobicContact CB-CE1 4.15Å; E132-F339 HydrophobicContact CB-CE2 4.37Å; E132-F339 HydrophobicContact CB-CZ 4.17Å; V144-F339 HydrophobicContact CB-CE1 4.26Å; V144-F339 HydrophobicContact CG1-CE1 3.74Å; V144-F339 HydrophobicContact CG1-CZ 4.31Å; V144-F339 VanDerWaalsContact O-CZ 3.29Å; V144-F339 WeakPolarHBondContact O-CZ 3.14Å; Q146-F339 HydrophobicContact CG-CE2 3.91Å; Q146-F339 HydrophobicContact CG-CZ 4Å; S337-F339 VanDerWaalsContact C-N 3.26Å; S337-F339 PolarHBondContact O-N 2.8Å; F339-A341 PolarHBondContact O-N 2.84Å; F339-Q344 VanDerWaalsContact CD1-NE2 3.27Å; F339-Q344 HydrophobicContact CE1-CG 4.24Å | ||
| 340 | P | 58.6 | Low | 62.3 | Low | 57 Ų | 57 | 69.9 Ų | 69.9 | 37% | 0.37 | 43% | 0.429 | S | S | . | . | trans | -65.3 | 121.3 | -163.7 | 22.1 | -31.2 | 0 | 0 | 0 | 110.8 | Q146 N338 T342 Q344 | Q146-P340 HydrophobicContact CG-CG 4.5Å; N338-P340 VanDerWaalsContact O-CD 3.28Å; N338-P340 WeakPolarHBondContact O-CD 3.45Å; N338-P340 VanDerWaalsContact O-N 3.13Å; P340-T342 PolarHBondContact O-N 2.96Å; P340-T342 VanDerWaalsContact O-N 3.14Å; P340-Q344 WeakPolarHBondContact O-CG 3.31Å; P340-Q344 PolarHBondContact O-NE2 2.9Å | ||
| 341 | A | 52.5 | Low | 64.1 | Low | 89 Ų | 89 | 64.1 Ų | 64.1 | 74% | 0.736 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -68.7 | -7.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | F339 | F339-A341 PolarHBondContact O-N 2.84Š|
| 342 | T | 47.4 | Very low | 65.9 | Low | 125 Ų | 125 | 59.7 Ų | 59.7 | 77% | 0.767 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -120.5 | 138.1 | -173.6 | 41.6 | 0 | 0 | 0 | 0 | 112 | P340 | P340-T342 PolarHBondContact O-N 2.96Å; P340-T342 VanDerWaalsContact O-N 3.14Å |
| 343 | G | 53.4 | Low | 67.8 | Low | 37 Ų | 37 | 56.5 Ų | 56.5 | 38% | 0.381 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 85.8 | 11.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q147 | Q147-G343 VanDerWaalsContact CB-O 3.31Å; Q147-G343 WeakPolarHBondContact CB-O 3.23Å; Q147-G343 WeakPolarHBondContact CG-O 3.1Å |
| 344 | Q | 65.1 | Low | 69.7 | Low | 71 Ų | 71 | 55.9 Ų | 55.9 | 33% | 0.332 | 32% | 0.321 | S | S | . | . | trans | -72.4 | 142.4 | -175.3 | -64.5 | 177.7 | -6.2 | 0 | 0 | 113.1 | V144 F339 P340 | V144-Q344 HydrophobicContact CG1-CB 3.61Å; V144-Q344 HydrophobicContact CG1-CG 3.86Å; V144-Q344 VanDerWaalsContact CG1-OE1 3.29Å; F339-Q344 VanDerWaalsContact CD1-NE2 3.27Å; F339-Q344 HydrophobicContact CE1-CG 4.24Å; P340-Q344 WeakPolarHBondContact O-CG 3.31Å; P340-Q344 PolarHBondContact O-NE2 2.9Å | ||
| 345 | R | 71.8 | Confident | 70.9 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 115.3 | 172.6 | -74.2 | -179.2 | -70.3 | 158.2 | 4.6 | 109.9 | F145 D149 E154 R354 | F145-R345 PolarHBondContact N-O 2.94Å; F145-R345 VanDerWaalsContact N-O 3.14Å; F145-R345 PolarHBondContact O-N 3.34Å; D149-R345 PolarHBondContact O-NH2 3.18Å; E154-R345 IonicContact OE1-CZ 3.74Å; E154-R345 IonicContact OE1-NH1 2.65Å; E154-R345 PolarHBondContact OE1-NH1 3.07Å; E154-R345 VanDerWaalsContact OE1-NH1 3.11Å; E154-R345 IonicContact OE1-NH2 3.39Å; E154-R345 PolarHBondContact OE1-NH2 3.1Å; R345-R354 VanDerWaalsContact NH1-CZ 3.3Å |
| 346 | V | 77.3 | Confident | 72.2 | Confident | 100 Ų | 100 | 49.2 Ų | 49.2 | 61% | 0.606 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.7 | 172.6 | -173.1 | 0 | 0 | 0 | 0 | 109 | D142 L143 | D142-V346 HydrophobicContact CB-CG1 4.07Å; L143-V346 CarbonylContact O-C 3.49Å; L143-V346 WeakPolarHBondContact O-CA 3.22Å |
| 347 | S | 85.5 | Confident | 73.2 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 163.5 | -177.6 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | L143 R158 | L143-S347 PolarHBondContact N-O 2.64Å; L143-S347 PolarHBondContact O-N 3Å; R158-S347 PolarHBondContact NH2-OG 2.92Å |
| 348 | D | 88.3 | Confident | 74.5 | Confident | 42 Ų | 42 | 51.9 Ų | 51.9 | 23% | 0.225 | 29% | 0.294 | C | S | . | . | trans | -92 | 179.5 | 167.3 | 65.9 | 21.5 | 0 | 0 | 0 | 112.1 | L143 R158 I350 | L143-D348 WeakPolarHBondContact CD1-O 3.39Å; R158-D348 PolarHBondContact NE-O 2.78Å; D348-I350 PolarHBondContact O-N 2.97Å; D348-I350 VanDerWaalsContact OD1-CB 3.3Å; D348-I350 WeakPolarHBondContact OD1-CB 3.37Å; D348-I350 PolarHBondContact OD1-N 3.04Å | ||
| 349 | L | 92.1 | Very high | 75.7 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -70.9 | -16.5 | 179.5 | -172 | 59.9 | 0 | 0 | 0 | 113.2 | L143 R158 I161 N162 Q165 V205 | L143-L349 HydrophobicContact CD1-CB 4.12Å; L143-L349 HydrophobicContact CD1-CD1 4.42Å; R158-L349 HydrophobicContact CB-CD1 4.36Å; I161-L349 HydrophobicContact CB-CD1 4.22Å; I161-L349 HydrophobicContact CG2-CD1 3.88Å; N162-L349 HydrophobicContact CB-CD1 4.28Å; N162-L349 HydrophobicContact CB-CD2 4.47Å; Q165-L349 HydrophobicContact CB-CD2 4.17Å; Q165-L349 HydrophobicContact CG-CD2 4.09Å; V205-L349 VanDerWaalsContact CA-O 3.31Å; V205-L349 WeakPolarHBondContact CA-O 3.49Å |
| 350 | I | 92.5 | Very high | 76.3 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -66.6 | 139.4 | -176.4 | -58.4 | 177.6 | 0 | 0 | 0 | 109 | R158 P247 D348 S352 | R158-I350 WeakPolarHBondContact CD-O 3.47Å; R158-I350 PolarHBondContact NE-O 3.26Å; P247-I350 HydrophobicContact CB-CG2 4.21Å; P247-I350 HydrophobicContact CG-CG2 3.75Å; D348-I350 PolarHBondContact O-N 2.97Å; D348-I350 VanDerWaalsContact OD1-CB 3.3Å; D348-I350 WeakPolarHBondContact OD1-CB 3.37Å; D348-I350 PolarHBondContact OD1-N 3.04Å; I350-S352 PolarHBondContact O-N 3.45Å |
| 351 | Y | 92.4 | Very high | 77.3 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 11% | 0.106 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -54 | 131.3 | 177.6 | -174.7 | -84.5 | 0 | 0 | 0 | 111.7 | N155 V205 P247 T353 P918 G922 | N155-Y351 HydrophobicContact CB-CD2 3.88Å; N155-Y351 HydrophobicContact CB-CE2 3.55Å; N155-Y351 VanDerWaalsContact CG-CE2 3.45Å; N155-Y351 WeakPolarHBondContact ND2-CE2 3.39Å; N155-Y351 PolarHBondContact ND2-OH 3.4Å; V205-Y351 HydrophobicContact CG2-CD2 4.45Å; V205-Y351 VanDerWaalsContact O-CB 3.28Å; V205-Y351 WeakPolarHBondContact O-CB 3.26Å; V205-Y351 PolarHBondContact O-N 2.98Å; V205-Y351 VanDerWaalsContact O-N 3.07Å; P247-Y351 WeakPolarHBondContact CB-O 2.93Å; Y351-T353 HydrophobicContact CD1-CG2 4.06Å; Y351-T353 HydrophobicContact CE1-CG2 4.25Å; Y351-P918 HydrophobicContact CD1-CB 4.29Å; Y351-P918 HydrophobicContact CD2-CB 3.96Å; Y351-P918 HydrophobicContact CG-CB 3.71Å; Y351-G922 WeakPolarHBondContact CE2-O 3.41Å |
| 352 | S | 90.5 | Very high | 78.7 | Confident | 15 Ų | 15 | 44.1 Ų | 44.1 | 11% | 0.105 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -86.9 | 136.1 | -179.1 | -168 | 0 | 0 | 0 | 0 | 111.2 | E151 N155 I350 R354 | E151-S352 VanDerWaalsContact OE1-O 3.05Å; N155-S352 PolarHBondContact ND2-O 2.99Å; N155-S352 PolarHBondContact OD1-N 3.38Å; I350-S352 PolarHBondContact O-N 3.45Å; S352-R354 PolarHBondContact OG-NE 2.66Å |
| 353 | T | 85.5 | Confident | 80.5 | Confident | 25 Ų | 25 | 38.5 Ų | 38.5 | 15% | 0.153 | 19% | 0.194 | C | C | . | . | trans | -118 | 19.5 | -179.6 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | E151 P247 V249 Y351 D355 D356 E357 | E151-T353 VanDerWaalsContact OE1-C 3.25Å; E151-T353 WeakPolarHBondContact OE1-CA 3.38Å; E151-T353 PolarHBondContact OE1-N 3.28Å; P247-T353 HydrophobicContact CB-CG2 4.14Å; V249-T353 HydrophobicContact CG2-CG2 4.32Å; Y351-T353 HydrophobicContact CD1-CG2 4.06Å; Y351-T353 HydrophobicContact CE1-CG2 4.25Å; T353-D355 VanDerWaalsContact C-N 3.32Å; T353-D355 PolarHBondContact O-N 2.86Å; T353-D356 PolarHBondContact O-N 3.29Å; T353-E357 PolarHBondContact O-N 2.94Å; T353-E357 PolarHBondContact OG1-OE1 3.3Å | ||
| 354 | R | 83.1 | Confident | 81.9 | Confident | 66 Ų | 66 | 37 Ų | 37 | 25% | 0.249 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.3 | -36.1 | -174.3 | -42.8 | 166.8 | -68.1 | -149.5 | -4.5 | 111.4 | E151 E154 R345 S352 D356 E357 H358 | E151-R354 PolarHBondContact OE1-N 2.92Å; E151-R354 WeakPolarHBondContact OE2-CA 3.5Å; E151-R354 WeakPolarHBondContact OE2-CB 3.45Å; E151-R354 WeakPolarHBondContact OE2-CG 3.28Å; E151-R354 IonicContact OE2-CZ 3.08Å; E151-R354 PolarHBondContact OE2-N 3.5Å; E151-R354 IonicContact OE2-NE 3.92Å; E151-R354 PolarHBondContact OE2-NE 3.48Å; E151-R354 IonicContact OE2-NH2 2.86Å; E151-R354 PolarHBondContact OE2-NH2 2.92Å; E154-R354 VanDerWaalsContact CD-NH2 3.27Å; E154-R354 IonicContact OE1-NH2 2.71Å; E154-R354 PolarHBondContact OE1-NH2 3.44Å; E154-R354 IonicContact OE2-CZ 2.92Å; E154-R354 IonicContact OE2-NH1 3.14Å; E154-R354 IonicContact OE2-NH2 3.65Å; E154-R354 PolarHBondContact OE2-NH2 3.4Å; R345-R354 VanDerWaalsContact NH1-CZ 3.3Å; S352-R354 PolarHBondContact OG-NE 2.66Å; R354-D356 VanDerWaalsContact C-N 3.26Å; R354-D356 PolarHBondContact O-N 3.45Å; R354-E357 WeakPolarHBondContact O-CB 2.98Å; R354-E357 PolarHBondContact O-N 2.86Å; R354-E357 VanDerWaalsContact O-N 3.11Å; R354-H358 PolarHBondContact O-CD2 2.96Å; R354-H358 PolarHBondContact O-N 3.2Å |
| 355 | D | 78.1 | Confident | 82.6 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 12% | 0.123 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.1 | -46 | 175.6 | -80.1 | 11.2 | 0 | 0 | 0 | 110.5 | E151 T353 H358 F359 L374 | E151-D355 WeakPolarHBondContact CB-OD1 3.43Å; E151-D355 PolarHBondContact OE1-N 3.49Å; E151-D355 PolarHBondContact OE2-N 2.8Å; T353-D355 VanDerWaalsContact C-N 3.32Å; T353-D355 PolarHBondContact O-N 2.86Å; D355-H358 PolarHBondContact O-N 2.99Å; D355-F359 HydrophobicContact CB-CE2 4.48Å; D355-F359 WeakPolarHBondContact O-CD2 3.07Å; D355-F359 PolarHBondContact O-N 2.81Å; D355-L374 HydrophobicContact CB-CD1 4.42Å; D355-L374 HydrophobicContact CB-CD2 4.31Å; D355-L374 VanDerWaalsContact OD1-CD1 3.22Å; D355-L374 WeakPolarHBondContact OD1-CD1 3.33Å; D355-L374 WeakPolarHBondContact OD1-CD2 3.35Å; D355-L374 WeakPolarHBondContact OD2-CD2 3.34Å |
| 356 | D | 78.8 | Confident | 83 | Confident | 18 Ų | 18 | 32.7 Ų | 32.7 | 10% | 0.096 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.8 | -36.7 | 179.1 | -76.5 | -27.9 | 0 | 0 | 0 | 112.6 | T353 R354 F359 D360 K916 Q924 | T353-D356 PolarHBondContact O-N 3.29Å; R354-D356 VanDerWaalsContact C-N 3.26Å; R354-D356 PolarHBondContact O-N 3.45Å; D356-F359 PolarHBondContact O-N 3.36Å; D356-D360 WeakPolarHBondContact O-CB 3.49Å; D356-D360 PolarHBondContact O-N 3.33Å; D356-K916 IonicContact OD1-NZ 3.76Å; D356-K916 PolarHBondContact OD1-NZ 3.25Å; D356-K916 WeakPolarHBondContact OD2-CD 3.19Å; D356-K916 IonicContact OD2-NZ 3.62Å; D356-K916 PolarHBondContact OD2-NZ 3.4Å; D356-Q924 PolarHBondContact OD2-NE2 2.74Å |
| 357 | E | 76.7 | Confident | 83.2 | Confident | 93 Ų | 93 | 30.1 Ų | 30.1 | 44% | 0.435 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -68.3 | -35.2 | 174.6 | -68.6 | 165.3 | -162.7 | 0 | 0 | 112.6 | T353 R354 R361 | T353-E357 PolarHBondContact O-N 2.94Å; T353-E357 PolarHBondContact OG1-OE1 3.3Å; R354-E357 WeakPolarHBondContact O-CB 2.98Å; R354-E357 PolarHBondContact O-N 2.86Å; R354-E357 VanDerWaalsContact O-N 3.11Å; E357-R361 WeakPolarHBondContact O-CB 3.49Å; E357-R361 WeakPolarHBondContact O-CG 3.43Å; E357-R361 PolarHBondContact O-N 3.4Å; E357-R361 PolarHBondContact O-NE 3.42Å |
| 358 | H | 77.2 | Confident | 82.5 | Confident | 40 Ų | 40 | 36.5 Ų | 36.5 | 19% | 0.185 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.4 | -42 | 172.5 | -77.6 | -76.9 | 0 | 0 | 0 | 111.5 | R354 D355 R361 F362 D372 L374 | R354-H358 PolarHBondContact O-CD2 2.96Å; R354-H358 PolarHBondContact O-N 3.2Å; D355-H358 PolarHBondContact O-N 2.99Å; H358-R361 PolarHBondContact CE1-NH2 3.18Å; H358-R361 PolarHBondContact ND1-NH2 3.05Å; H358-R361 PolarHBondContact NE2-NH2 3.21Å; H358-R361 PolarHBondContact O-N 3.23Å; H358-F362 PolarHBondContact O-N 3.49Å; H358-D372 IonicContact CE1-OD2 3.9Å; H358-D372 PolarHBondContact CE1-OD2 3.47Å; H358-D372 IonicContact ND1-OD2 2.75Å; H358-D372 PolarHBondContact ND1-OD2 2.92Å; H358-L374 HydrophobicContact CB-CD1 4.13Å |
| 359 | F | 78.2 | Confident | 81.5 | Confident | 37 Ų | 37 | 36.6 Ų | 36.6 | 16% | 0.162 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.2 | -44.1 | 173.2 | -73.1 | -65 | 0 | 0 | 0 | 112 | D355 D356 R361 F362 Y363 F375 Y420 | D355-F359 HydrophobicContact CB-CE2 4.48Å; D355-F359 WeakPolarHBondContact O-CD2 3.07Å; D355-F359 PolarHBondContact O-N 2.81Å; D356-F359 PolarHBondContact O-N 3.36Å; F359-R361 VanDerWaalsContact C-N 3.32Å; F359-R361 PolarHBondContact O-N 3.45Å; F359-F362 PolarHBondContact O-N 3.28Å; F359-Y363 VanDerWaalsContact O-CD1 3.31Å; F359-Y363 WeakPolarHBondContact O-CD1 3.5Å; F359-Y363 PolarHBondContact O-N 3.29Å; F359-F375 AromaticContact CD1-CE1 3.63Å; F359-F375 HydrophobicContact CD1-CE1 3.63Å; F359-F375 AromaticContact CD1-CE2 3.94Å; F359-F375 HydrophobicContact CD1-CE2 3.94Å; F359-F375 AromaticContact CD1-CZ 3.19Å; F359-F375 HydrophobicContact CD1-CZ 3.19Å; F359-F375 HydrophobicContact CE1-CD1 4.09Å; F359-F375 AromaticContact CE1-CE1 3.45Å; F359-F375 HydrophobicContact CE1-CE1 3.45Å; F359-F375 VanDerWaalsContact CE1-CE1 3.45Å; F359-F375 AromaticContact CE1-CE2 4Å; F359-F375 HydrophobicContact CE1-CE2 4Å; F359-F375 AromaticContact CE1-CZ 3.39Å; F359-F375 HydrophobicContact CE1-CZ 3.39Å; F359-F375 HydrophobicContact CG-CZ 4.26Å; F359-Y420 AromaticContact CD1-CD1 3.98Å; F359-Y420 HydrophobicContact CD1-CD1 3.98Å; F359-Y420 AromaticContact CD1-CE1 3.62Å; F359-Y420 HydrophobicContact CD1-CE1 3.62Å; F359-Y420 AromaticContact CE1-CD1 3.74Å; F359-Y420 HydrophobicContact CE1-CD1 3.74Å; F359-Y420 AromaticContact CE1-CE1 3.48Å; F359-Y420 HydrophobicContact CE1-CE1 3.48Å; F359-Y420 VanDerWaalsContact CE1-CE1 3.48Å; F359-Y420 HydrophobicContact CZ-CE1 4.27Å |
| 360 | D | 78.5 | Confident | 80 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 177.2 | -85.2 | -0.1 | 0 | 0 | 0 | 111.6 | W251 D356 A364 R496 | W251-D360 VanDerWaalsContact CZ2-OD1 3.26Å; W251-D360 WeakPolarHBondContact CZ2-OD1 3.47Å; W251-D360 PolarHBondContact NE1-OD2 2.85Å; D356-D360 WeakPolarHBondContact O-CB 3.49Å; D356-D360 PolarHBondContact O-N 3.33Å; D360-A364 VanDerWaalsContact O-CB 3.29Å; D360-A364 WeakPolarHBondContact O-CB 3.4Å; D360-A364 PolarHBondContact O-N 3.29Å; D360-A364 VanDerWaalsContact O-N 3.1Å; D360-R496 HydrophobicContact CB-CG 4.44Å; D360-R496 IonicContact OD2-NE 3.32Å |
| 361 | R | 78.1 | Confident | 78.2 | Confident | 85 Ų | 85 | 45.2 Ų | 45.2 | 32% | 0.321 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.8 | -45.5 | 173 | -82.5 | -175.8 | -80.6 | 175.6 | -6.3 | 111.9 | E357 H358 F359 Y363 A364 E365 | E357-R361 WeakPolarHBondContact O-CB 3.49Å; E357-R361 WeakPolarHBondContact O-CG 3.43Å; E357-R361 PolarHBondContact O-N 3.4Å; E357-R361 PolarHBondContact O-NE 3.42Å; H358-R361 PolarHBondContact CE1-NH2 3.18Å; H358-R361 PolarHBondContact ND1-NH2 3.05Å; H358-R361 PolarHBondContact NE2-NH2 3.21Å; H358-R361 PolarHBondContact O-N 3.23Å; F359-R361 VanDerWaalsContact C-N 3.32Å; F359-R361 PolarHBondContact O-N 3.45Å; R361-Y363 VanDerWaalsContact C-N 3.34Å; R361-Y363 PolarHBondContact O-N 3.44Å; R361-A364 PolarHBondContact O-N 2.93Å; R361-A364 VanDerWaalsContact O-N 3.12Å; R361-E365 WeakPolarHBondContact O-CB 3.44Å; R361-E365 PolarHBondContact O-N 3.24Å |
| 362 | F | 82.3 | Confident | 76.5 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.9 | -43.6 | 175.5 | 175.4 | -111.7 | 0 | 0 | 0 | 112.3 | H358 F359 A364 G366 Y370 F375 R419 | H358-F362 PolarHBondContact O-N 3.49Å; F359-F362 PolarHBondContact O-N 3.28Å; F362-A364 VanDerWaalsContact C-N 3.27Å; F362-A364 PolarHBondContact O-N 2.98Å; F362-G366 VanDerWaalsContact CD2-O 3.23Å; F362-G366 WeakPolarHBondContact CD2-O 3.24Å; F362-G366 VanDerWaalsContact O-CA 3.28Å; F362-G366 WeakPolarHBondContact O-CA 3.37Å; F362-G366 PolarHBondContact O-N 2.92Å; F362-Y370 HydrophobicContact CD2-CD2 4.23Å; F362-Y370 AromaticContact CE2-CD2 3.51Å; F362-Y370 HydrophobicContact CE2-CD2 3.51Å; F362-Y370 HydrophobicContact CE2-CE2 4.42Å; F362-Y370 HydrophobicContact CE2-CG 4.32Å; F362-Y370 AromaticContact CZ-CD2 3.73Å; F362-Y370 HydrophobicContact CZ-CD2 3.73Å; F362-Y370 HydrophobicContact CZ-CE2 4.21Å; F362-F375 HydrophobicContact CB-CE2 3.92Å; F362-F375 HydrophobicContact CB-CZ 3.67Å; F362-F375 AromaticContact CD1-CE1 3.76Å; F362-F375 HydrophobicContact CD1-CE1 3.76Å; F362-F375 HydrophobicContact CD1-CE2 4.43Å; F362-F375 AromaticContact CD1-CZ 3.51Å; F362-F375 HydrophobicContact CD1-CZ 3.51Å; F362-F375 HydrophobicContact CE1-CE1 4.16Å; F362-F375 HydrophobicContact CE1-CZ 4.35Å; F362-F375 HydrophobicContact CG-CE1 4.23Å; F362-F375 HydrophobicContact CG-CE2 4.13Å; F362-F375 AromaticContact CG-CZ 3.63Å; F362-F375 HydrophobicContact CG-CZ 3.63Å; F362-R419 VanDerWaalsContact CE1-O 3.23Å; F362-R419 WeakPolarHBondContact CE1-O 3.06Å |
| 363 | Y | 85.9 | Confident | 74.6 | Confident | 7 Ų | 7 | 52 Ų | 52 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 176.7 | -62.7 | -10.7 | 0 | 0 | 0 | 112 | F359 R361 R419 Y420 T463 L464 R496 | F359-Y363 VanDerWaalsContact O-CD1 3.31Å; F359-Y363 WeakPolarHBondContact O-CD1 3.5Å; F359-Y363 PolarHBondContact O-N 3.29Å; R361-Y363 VanDerWaalsContact C-N 3.34Å; R361-Y363 PolarHBondContact O-N 3.44Å; Y363-R419 HydrophobicContact CE1-CB 3.83Å; Y363-R419 WeakPolarHBondContact CE1-O 3.33Å; Y363-Y420 WeakPolarHBondContact OH-CE1 3.02Å; Y363-T463 HydrophobicContact CD1-CG2 3.66Å; Y363-T463 HydrophobicContact CE1-CG2 4.41Å; Y363-T463 HydrophobicContact CG-CG2 4.02Å; Y363-T463 CarbonylContact O-C 3.54Å; Y363-T463 WeakPolarHBondContact O-CA 3.32Å; Y363-L464 PolarHBondContact O-N 3.08Å; Y363-R496 HydrophobicContact CD2-CB 4.46Å |
| 364 | A | 81.7 | Confident | 73.2 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.033 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -76.4 | -43.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | D360 R361 F362 R496 S498 | D360-A364 VanDerWaalsContact O-CB 3.29Å; D360-A364 WeakPolarHBondContact O-CB 3.4Å; D360-A364 PolarHBondContact O-N 3.29Å; D360-A364 VanDerWaalsContact O-N 3.1Å; R361-A364 PolarHBondContact O-N 2.93Å; R361-A364 VanDerWaalsContact O-N 3.12Å; F362-A364 VanDerWaalsContact C-N 3.27Å; F362-A364 PolarHBondContact O-N 2.98Å; A364-R496 HydrophobicContact CB-CG 4.17Å; A364-S498 WeakPolarHBondContact O-CB 3.44Å; A364-S498 PolarHBondContact O-OG 3.28Å |
| 365 | E | 80.6 | Confident | 71.7 | Confident | 60 Ų | 60 | 49.7 Ų | 49.7 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -114.9 | -6.7 | -164.4 | -61.9 | 172.3 | -151.2 | 0 | 0 | 112.6 | R361 H369 L464 | R361-E365 WeakPolarHBondContact O-CB 3.44Å; R361-E365 PolarHBondContact O-N 3.24Å; E365-H369 IonicContact OE2-CD2 2.7Å; E365-H369 PolarHBondContact OE2-CD2 3.07Å; E365-H369 IonicContact OE2-NE2 3.12Å; E365-H369 PolarHBondContact OE2-NE2 3.01Å; E365-H369 VanDerWaalsContact OE2-NE2 3.09Å; E365-L464 WeakPolarHBondContact O-CD2 2.93Å |
| 366 | G | 80.9 | Confident | 70.2 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | 69.9 | -146.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F362 Q368 H369 S465 | F362-G366 VanDerWaalsContact CD2-O 3.23Å; F362-G366 WeakPolarHBondContact CD2-O 3.24Å; F362-G366 VanDerWaalsContact O-CA 3.28Å; F362-G366 WeakPolarHBondContact O-CA 3.37Å; F362-G366 PolarHBondContact O-N 2.92Å; G366-Q368 PolarHBondContact O-N 2.92Å; G366-H369 PolarHBondContact O-N 3.35Å; G366-S465 WeakPolarHBondContact CA-OG 3.23Å |
| 367 | D | 80.4 | Confident | 69 | Low | 46 Ų | 46 | 56 Ų | 56 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -65.9 | -13.6 | -163.7 | -65.6 | 7.9 | 0 | 0 | 0 | 115 | H369 Y370 S422 E423 S465 | D367-H369 PolarHBondContact O-N 3.48Å; D367-Y370 WeakPolarHBondContact O-CB 3.47Å; D367-Y370 PolarHBondContact O-N 3.07Å; D367-S422 WeakPolarHBondContact OD1-CA 3.2Å; D367-S422 WeakPolarHBondContact OD2-CB 3.34Å; D367-E423 PolarHBondContact OD1-N 2.81Å; D367-E423 WeakPolarHBondContact OD2-CB 3.44Å; D367-E423 PolarHBondContact OD2-N 3.14Å; D367-S465 PolarHBondContact OD1-OG 3.11Å |
| 368 | Q | 71.7 | Confident | 68 | Low | 161 Ų | 161 | 55.9 Ų | 55.9 | 75% | 0.752 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -58.3 | -31.6 | 176.3 | -67.3 | -176.1 | -5.7 | 0 | 0 | 112.4 | G366 | G366-Q368 PolarHBondContact O-N 2.92Š|
| 369 | H | 67.1 | Low | 67 | Low | 44 Ų | 44 | 55.5 Ų | 55.5 | 20% | 0.204 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -98.9 | 2.9 | 176.5 | -80.7 | -71.2 | 0 | 0 | 0 | 113.9 | E365 G366 D367 N371 D372 | E365-H369 IonicContact OE2-CD2 2.7Å; E365-H369 PolarHBondContact OE2-CD2 3.07Å; E365-H369 IonicContact OE2-NE2 3.12Å; E365-H369 PolarHBondContact OE2-NE2 3.01Å; E365-H369 VanDerWaalsContact OE2-NE2 3.09Å; G366-H369 PolarHBondContact O-N 3.35Å; D367-H369 PolarHBondContact O-N 3.48Å; H369-N371 PolarHBondContact O-N 3.27Å; H369-D372 IonicContact ND1-OD2 2.64Å; H369-D372 PolarHBondContact ND1-OD2 2.93Å; H369-D372 WeakPolarHBondContact O-CB 3.45Å; H369-D372 PolarHBondContact O-N 2.9Å |
| 370 | Y | 60.9 | Low | 65.8 | Low | 45 Ų | 45 | 62.3 Ų | 62.3 | 18% | 0.176 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -28.5 | -178.7 | -167 | -94.8 | 0 | 0 | 0 | 112.8 | F362 D367 D372 K384 E425 | F362-Y370 HydrophobicContact CD2-CD2 4.23Å; F362-Y370 AromaticContact CE2-CD2 3.51Å; F362-Y370 HydrophobicContact CE2-CD2 3.51Å; F362-Y370 HydrophobicContact CE2-CE2 4.42Å; F362-Y370 HydrophobicContact CE2-CG 4.32Å; F362-Y370 AromaticContact CZ-CD2 3.73Å; F362-Y370 HydrophobicContact CZ-CD2 3.73Å; F362-Y370 HydrophobicContact CZ-CE2 4.21Å; D367-Y370 WeakPolarHBondContact O-CB 3.47Å; D367-Y370 PolarHBondContact O-N 3.07Å; Y370-D372 PolarHBondContact O-N 3.35Å; Y370-K384 PolarHBondContact OH-NZ 3.13Å; Y370-E425 PolarHBondContact OH-OE1 2.83Å; Y370-E425 PolarHBondContact OH-OE2 2.91Å |
| 371 | N | 53.8 | Low | 64.7 | Low | 141 Ų | 141 | 65.8 Ų | 65.8 | 75% | 0.754 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -2.3 | -180 | -70.5 | -28.1 | 0 | 0 | 0 | 113.9 | H369 R373 | H369-N371 PolarHBondContact O-N 3.27Å; N371-R373 PolarHBondContact O-N 3.47Å |
| 372 | D | 56.6 | Low | 64.2 | Low | 48 Ų | 48 | 65 Ų | 65 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -59.3 | 136.8 | 171.1 | -79.4 | -22.5 | 0 | 0 | 0 | 109.8 | H358 H369 Y370 L374 F375 | H358-D372 IonicContact CE1-OD2 3.9Å; H358-D372 PolarHBondContact CE1-OD2 3.47Å; H358-D372 IonicContact ND1-OD2 2.75Å; H358-D372 PolarHBondContact ND1-OD2 2.92Å; H369-D372 IonicContact ND1-OD2 2.64Å; H369-D372 PolarHBondContact ND1-OD2 2.93Å; H369-D372 WeakPolarHBondContact O-CB 3.45Å; H369-D372 PolarHBondContact O-N 2.9Å; Y370-D372 PolarHBondContact O-N 3.35Å; D372-L374 PolarHBondContact O-N 3.46Å; D372-F375 PolarHBondContact O-N 3.31Å |
| 373 | R | 50.7 | Low | 64 | Low | 137 Ų | 137 | 69.7 Ų | 69.7 | 52% | 0.517 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -45.2 | -25.9 | -170.6 | -86.8 | -178.6 | 168.8 | -171 | -5 | 115.1 | Q147 N371 S376 R377 | Q147-R373 PolarHBondContact O-NH1 3.25Å; N371-R373 PolarHBondContact O-N 3.47Å; R373-S376 PolarHBondContact O-OG 2.97Å; R373-R377 PolarHBondContact O-N 3.3Å |
| 374 | L | 55 | Low | 63.8 | Low | 33 Ų | 33 | 69.6 Ų | 69.6 | 17% | 0.173 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.2 | -48.5 | -173.6 | -88.4 | 149 | 0 | 0 | 0 | 114.7 | D355 H358 D372 | D355-L374 HydrophobicContact CB-CD1 4.42Å; D355-L374 HydrophobicContact CB-CD2 4.31Å; D355-L374 VanDerWaalsContact OD1-CD1 3.22Å; D355-L374 WeakPolarHBondContact OD1-CD1 3.33Å; D355-L374 WeakPolarHBondContact OD1-CD2 3.35Å; D355-L374 WeakPolarHBondContact OD2-CD2 3.34Å; H358-L374 HydrophobicContact CB-CD1 4.13Å; D372-L374 PolarHBondContact O-N 3.46Å |
| 375 | F | 52.6 | Low | 63.9 | Low | 9 Ų | 9 | 69.7 Ų | 69.7 | 4% | 0.039 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.8 | -37.5 | -176.6 | -72.9 | -93.3 | 0 | 0 | 0 | 111.7 | F359 F362 D372 Y420 | F359-F375 AromaticContact CD1-CE1 3.63Å; F359-F375 HydrophobicContact CD1-CE1 3.63Å; F359-F375 AromaticContact CD1-CE2 3.94Å; F359-F375 HydrophobicContact CD1-CE2 3.94Å; F359-F375 AromaticContact CD1-CZ 3.19Å; F359-F375 HydrophobicContact CD1-CZ 3.19Å; F359-F375 HydrophobicContact CE1-CD1 4.09Å; F359-F375 AromaticContact CE1-CE1 3.45Å; F359-F375 HydrophobicContact CE1-CE1 3.45Å; F359-F375 VanDerWaalsContact CE1-CE1 3.45Å; F359-F375 AromaticContact CE1-CE2 4Å; F359-F375 HydrophobicContact CE1-CE2 4Å; F359-F375 AromaticContact CE1-CZ 3.39Å; F359-F375 HydrophobicContact CE1-CZ 3.39Å; F359-F375 HydrophobicContact CG-CZ 4.26Å; F362-F375 HydrophobicContact CB-CE2 3.92Å; F362-F375 HydrophobicContact CB-CZ 3.67Å; F362-F375 AromaticContact CD1-CE1 3.76Å; F362-F375 HydrophobicContact CD1-CE1 3.76Å; F362-F375 HydrophobicContact CD1-CE2 4.43Å; F362-F375 AromaticContact CD1-CZ 3.51Å; F362-F375 HydrophobicContact CD1-CZ 3.51Å; F362-F375 HydrophobicContact CE1-CE1 4.16Å; F362-F375 HydrophobicContact CE1-CZ 4.35Å; F362-F375 HydrophobicContact CG-CE1 4.23Å; F362-F375 HydrophobicContact CG-CE2 4.13Å; F362-F375 AromaticContact CG-CZ 3.63Å; F362-F375 HydrophobicContact CG-CZ 3.63Å; D372-F375 PolarHBondContact O-N 3.31Å; F375-Y420 AromaticContact CE1-CD1 3.92Å; F375-Y420 HydrophobicContact CE1-CD1 3.92Å |
| 376 | S | 45.7 | Very low | 64 | Low | 52 Ų | 52 | 68.6 Ų | 68.6 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -75.8 | -22.8 | -174.4 | 60 | 0 | 0 | 0 | 0 | 114.3 | R373 K380 | R373-S376 PolarHBondContact O-OG 2.97Å; S376-K380 WeakPolarHBondContact O-CB 3.43Å; S376-K380 WeakPolarHBondContact O-CD 3.41Å; S376-K380 VanDerWaalsContact O-CG 3.23Å; S376-K380 WeakPolarHBondContact O-CG 3.3Å |
| 377 | R | 54.3 | Low | 64.2 | Low | 121 Ų | 121 | 69.1 Ų | 69.1 | 46% | 0.457 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -88.1 | -46.3 | 179.9 | -82.5 | -172.9 | 174.3 | -177.1 | -0.2 | 114.2 | R373 | R373-R377 PolarHBondContact O-N 3.3Å |
| 378 | R | 54.9 | Low | 64.5 | Low | 90 Ų | 90 | 67 Ų | 67 | 34% | 0.34 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -82.5 | -19.2 | -173.7 | -69 | -164.4 | -168.6 | 132.9 | 20.6 | 114.9 | E150 P972 | E150-R378 IonicContact OE2-CZ 2.68Å; E150-R378 IonicContact OE2-NE 3.27Å; E150-R378 PolarHBondContact OE2-NE 3.39Å; E150-R378 IonicContact OE2-NH2 3.77Å; E150-R378 PolarHBondContact OE2-NH2 2.88Å; R378-P972 VanDerWaalsContact CZ-CG 3.45Å |
| 379 | Q | 57.9 | Low | 65.2 | Low | 32 Ų | 32 | 59.5 Ų | 59.5 | 15% | 0.15 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -118.7 | 4.9 | -177.9 | -63.8 | -174.2 | -5.1 | 0 | 0 | 113.7 | G381 Q382 | Q379-G381 PolarHBondContact O-N 3.31Å; Q379-Q382 PolarHBondContact O-N 3.41Å |
| 380 | K | 51.4 | Low | 66 | Low | 181 Ų | 181 | 61.9 Ų | 61.9 | 79% | 0.787 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 125.4 | 176 | -133.7 | 177.1 | 176.4 | 178.1 | 0 | 110.3 | S376 | S376-K380 WeakPolarHBondContact O-CB 3.43Å; S376-K380 WeakPolarHBondContact O-CD 3.41Å; S376-K380 VanDerWaalsContact O-CG 3.23Å; S376-K380 WeakPolarHBondContact O-CG 3.3Å |
| 381 | G | 57.2 | Low | 67.3 | Low | 86 Ų | 86 | 60.2 Ų | 60.2 | 89% | 0.887 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | -0.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q379 | Q379-G381 PolarHBondContact O-N 3.31Š|
| 382 | Q | 65.9 | Low | 69 | Low | 68 Ų | 68 | 53.6 Ų | 53.6 | 32% | 0.318 | 28% | 0.277 | S | S | . | . | trans | -87.1 | 124.1 | 170.7 | -69.1 | -175.2 | -14.4 | 0 | 0 | 110.7 | Q379 K384 N1034 | Q379-Q382 PolarHBondContact O-N 3.41Å; Q382-K384 VanDerWaalsContact C-N 3.31Å; Q382-K384 PolarHBondContact O-N 2.79Å; Q382-N1034 PolarHBondContact NE2-ND2 2.86Å | ||
| 383 | D | 78.3 | Confident | 70.4 | Confident | 98 Ų | 98 | 52.6 Ų | 52.6 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | trans | -74 | 87.8 | 167.4 | -173.1 | -13.9 | 0 | 0 | 0 | 109.2 | S385 A386 A387 | D383-S385 PolarHBondContact O-N 3.41Å; D383-S385 WeakPolarHBondContact OD1-CB 3.49Å; D383-S385 PolarHBondContact OD1-N 2.8Å; D383-S385 VanDerWaalsContact OD1-N 3.09Å; D383-A386 HydrophobicContact CB-CB 3.99Å; D383-A386 VanDerWaalsContact CG-CB 3.45Å; D383-A386 PolarHBondContact O-N 3.43Å; D383-A386 PolarHBondContact OD1-N 3.49Å; D383-A386 WeakPolarHBondContact OD2-CB 3.47Å; D383-A387 WeakPolarHBondContact O-CB 3.44Å; D383-A387 PolarHBondContact O-N 2.87Å | ||
| 384 | K | 82 | Confident | 72.2 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.8 | -29.5 | 179.1 | -59.5 | -175.9 | -161.7 | 169.2 | 0 | 111.6 | Y370 Q382 A387 L388 L417 Y420 M421 E425 | Y370-K384 PolarHBondContact OH-NZ 3.13Å; Q382-K384 VanDerWaalsContact C-N 3.31Å; Q382-K384 PolarHBondContact O-N 2.79Å; K384-A387 PolarHBondContact O-N 2.76Å; K384-L388 VanDerWaalsContact O-CB 3.28Å; K384-L388 WeakPolarHBondContact O-CB 3.49Å; K384-L388 PolarHBondContact O-N 3.36Å; K384-L417 HydrophobicContact CB-CD1 4.45Å; K384-L417 HydrophobicContact CG-CD1 4.47Å; K384-Y420 PolarHBondContact NZ-O 2.83Å; K384-M421 HydrophobicContact CB-CE 4.1Å; K384-M421 HydrophobicContact CB-CG 4.02Å; K384-M421 HydrophobicContact CB-SD 4.32Å; K384-M421 HydrophobicContact CD-CG 3.95Å; K384-E425 VanDerWaalsContact CD-OE1 3.28Å; K384-E425 WeakPolarHBondContact CD-OE1 3.16Å; K384-E425 WeakPolarHBondContact CE-OE1 3.46Å; K384-E425 IonicContact NZ-OE1 3.13Å; K384-E425 PolarHBondContact NZ-OE1 2.77Å; K384-E425 IonicContact NZ-OE2 2.94Å |
| 385 | S | 84.3 | Confident | 73.9 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 4% | 0.042 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.3 | -48.8 | 178.3 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | D383 A387 L388 A389 E425 T429 | D383-S385 PolarHBondContact O-N 3.41Å; D383-S385 WeakPolarHBondContact OD1-CB 3.49Å; D383-S385 PolarHBondContact OD1-N 2.8Å; D383-S385 VanDerWaalsContact OD1-N 3.09Å; S385-A387 VanDerWaalsContact C-N 3.33Å; S385-A387 PolarHBondContact O-N 2.85Å; S385-L388 PolarHBondContact O-N 3.34Å; S385-A389 PolarHBondContact O-N 3.43Å; S385-E425 PolarHBondContact OG-O 3.28Å; S385-T429 WeakPolarHBondContact CA-OG1 3.37Å; S385-T429 WeakPolarHBondContact CB-OG1 3.47Å; S385-T429 PolarHBondContact OG-OG1 2.04Å; S385-T429 VanDerWaalsContact OG-OG1 3.08Å |
| 386 | A | 82.7 | Confident | 75.5 | Confident | 36 Ų | 36 | 46.6 Ų | 46.6 | 30% | 0.298 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D383 A389 E390 H433 | D383-A386 HydrophobicContact CB-CB 3.99Å; D383-A386 VanDerWaalsContact CG-CB 3.45Å; D383-A386 PolarHBondContact O-N 3.43Å; D383-A386 PolarHBondContact OD1-N 3.49Å; D383-A386 WeakPolarHBondContact OD2-CB 3.47Å; A386-A389 WeakPolarHBondContact O-CB 3.31Å; A386-A389 PolarHBondContact O-N 2.65Å; A386-E390 PolarHBondContact O-N 3.18Å; A386-H433 WeakPolarHBondContact CA-NE2 3.28Å |
| 387 | A | 84.2 | Confident | 77.4 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 10% | 0.099 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.1 | -37.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D383 K384 S385 E390 I391 L417 L1036 | D383-A387 WeakPolarHBondContact O-CB 3.44Å; D383-A387 PolarHBondContact O-N 2.87Å; K384-A387 PolarHBondContact O-N 2.76Å; S385-A387 VanDerWaalsContact C-N 3.33Å; S385-A387 PolarHBondContact O-N 2.85Å; A387-E390 PolarHBondContact O-N 3.39Å; A387-I391 WeakPolarHBondContact O-CG1 3.43Å; A387-I391 PolarHBondContact O-N 3.06Å; A387-L417 HydrophobicContact CB-CD2 4.17Å; A387-L1036 HydrophobicContact CB-CD1 3.45Å; A387-L1036 VanDerWaalsContact CB-CD1 3.45Å; A387-L1036 HydrophobicContact CB-CD2 3.56Å; A387-L1036 HydrophobicContact CB-CG 4.14Å |
| 388 | L | 87.7 | Confident | 79.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -43.2 | 172.2 | -179.4 | 58.3 | 0 | 0 | 0 | 110.8 | K384 S385 E390 I391 I392 A414 L417 M418 M421 T429 | K384-L388 VanDerWaalsContact O-CB 3.28Å; K384-L388 WeakPolarHBondContact O-CB 3.49Å; K384-L388 PolarHBondContact O-N 3.36Å; S385-L388 PolarHBondContact O-N 3.34Å; L388-E390 VanDerWaalsContact C-N 3.32Å; L388-E390 PolarHBondContact O-N 3.46Å; L388-I391 PolarHBondContact O-N 2.98Å; L388-I392 HydrophobicContact CD1-CD1 4.12Å; L388-I392 HydrophobicContact CD1-CG1 4.36Å; L388-I392 HydrophobicContact CG-CD1 3.99Å; L388-I392 WeakPolarHBondContact O-CG1 3.3Å; L388-I392 PolarHBondContact O-N 2.94Å; L388-A414 HydrophobicContact CD1-CB 3.76Å; L388-L417 HydrophobicContact CB-CD2 3.73Å; L388-L417 HydrophobicContact CD1-CD2 4.36Å; L388-M418 HydrophobicContact CD1-CE 4.44Å; L388-M418 HydrophobicContact CD2-CE 3.63Å; L388-M421 HydrophobicContact CB-CE 4.5Å; L388-M421 HydrophobicContact CB-SD 4.29Å; L388-M421 HydrophobicContact CD2-CE 4Å; L388-M421 HydrophobicContact CD2-SD 3.69Å; L388-T429 HydrophobicContact CB-CG2 4.28Å; L388-T429 HydrophobicContact CD2-CG2 3.97Å; L388-T429 HydrophobicContact CG-CG2 4.25Å |
| 389 | A | 84.8 | Confident | 80.6 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.3 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S385 A386 I392 M393 H433 F434 | S385-A389 PolarHBondContact O-N 3.43Å; A386-A389 WeakPolarHBondContact O-CB 3.31Å; A386-A389 PolarHBondContact O-N 2.65Å; A389-I392 PolarHBondContact O-N 3.07Å; A389-M393 WeakPolarHBondContact O-CG 3.36Å; A389-M393 PolarHBondContact O-N 3.45Å; A389-H433 HydrophobicContact CB-CB 3.76Å; A389-F434 HydrophobicContact CB-CE2 4.47Å; A389-F434 HydrophobicContact CB-CZ 4.14Å |
| 390 | E | 85.1 | Confident | 81.4 | Confident | 94 Ų | 94 | 49.7 Ų | 49.7 | 44% | 0.439 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 175.2 | -165.2 | -164.4 | 150.4 | 0 | 0 | 112.5 | A386 A387 L388 I392 M393 K394 | A386-E390 PolarHBondContact O-N 3.18Å; A387-E390 PolarHBondContact O-N 3.39Å; L388-E390 VanDerWaalsContact C-N 3.32Å; L388-E390 PolarHBondContact O-N 3.46Å; E390-I392 VanDerWaalsContact C-N 3.35Å; E390-I392 PolarHBondContact O-N 2.87Å; E390-M393 HydrophobicContact CB-CE 4.43Å; E390-M393 WeakPolarHBondContact O-CB 3.24Å; E390-M393 PolarHBondContact O-N 2.91Å; E390-K394 WeakPolarHBondContact O-CG 3.19Å; E390-K394 PolarHBondContact O-N 2.97Å; E390-K394 WeakPolarHBondContact OE1-CE 3.15Å; E390-K394 IonicContact OE1-NZ 2.7Å; E390-K394 PolarHBondContact OE1-NZ 3.13Å |
| 391 | I | 89.1 | Confident | 82.3 | Confident | 10 Ų | 10 | 46.6 Ų | 46.6 | 5% | 0.051 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 177.4 | -67.5 | 165 | 0 | 0 | 0 | 110.9 | A387 L388 M393 K394 M395 Y410 K413 A414 L417 L1036 | A387-I391 WeakPolarHBondContact O-CG1 3.43Å; A387-I391 PolarHBondContact O-N 3.06Å; L388-I391 PolarHBondContact O-N 2.98Å; I391-M393 VanDerWaalsContact C-N 3.33Å; I391-M393 PolarHBondContact O-N 2.92Å; I391-K394 PolarHBondContact O-N 3.4Å; I391-M395 WeakPolarHBondContact O-CB 3.5Å; I391-M395 PolarHBondContact O-N 3.33Å; I391-Y410 HydrophobicContact CG2-CD1 4.27Å; I391-Y410 WeakPolarHBondContact CG2-O 3.28Å; I391-K413 HydrophobicContact CD1-CB 4.27Å; I391-K413 HydrophobicContact CG2-CB 4.14Å; I391-A414 HydrophobicContact CG2-CB 3.77Å; I391-L417 HydrophobicContact CD1-CB 4.48Å; I391-L417 HydrophobicContact CD1-CD2 3.91Å; I391-L1036 HydrophobicContact CD1-CD2 3.67Å; I391-L1036 HydrophobicContact CG1-CD2 4.41Å |
| 392 | I | 88.7 | Confident | 83.2 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -43.3 | 177.3 | -69 | 168.9 | 0 | 0 | 0 | 109.9 | L388 A389 E390 K394 M395 M396 F434 A450 L457 | L388-I392 HydrophobicContact CD1-CD1 4.12Å; L388-I392 HydrophobicContact CD1-CG1 4.36Å; L388-I392 HydrophobicContact CG-CD1 3.99Å; L388-I392 WeakPolarHBondContact O-CG1 3.3Å; L388-I392 PolarHBondContact O-N 2.94Å; A389-I392 PolarHBondContact O-N 3.07Å; E390-I392 VanDerWaalsContact C-N 3.35Å; E390-I392 PolarHBondContact O-N 2.87Å; I392-K394 PolarHBondContact O-N 2.94Å; I392-M395 HydrophobicContact CG1-CE 4.48Å; I392-M395 HydrophobicContact CG2-CE 4.15Å; I392-M395 WeakPolarHBondContact O-CB 3.41Å; I392-M395 PolarHBondContact O-N 3.39Å; I392-M396 HydrophobicContact CG2-CG 4.35Å; I392-M396 HydrophobicContact CG2-SD 3.98Å; I392-M396 WeakPolarHBondContact O-CG 3.38Å; I392-M396 PolarHBondContact O-N 2.89Å; I392-F434 HydrophobicContact CB-CZ 4.05Å; I392-F434 HydrophobicContact CD1-CE2 3.72Å; I392-F434 HydrophobicContact CD1-CZ 3.68Å; I392-F434 HydrophobicContact CG1-CZ 4.47Å; I392-F434 HydrophobicContact CG2-CE1 4.2Å; I392-F434 HydrophobicContact CG2-CZ 3.9Å; I392-A450 HydrophobicContact CG2-CB 4.04Å; I392-L457 HydrophobicContact CD1-CD1 3.61Å; I392-L457 HydrophobicContact CG1-CD1 3.8Å |
| 393 | M | 85.3 | Confident | 83.9 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.2 | -46.1 | 173.7 | -76.6 | -170.3 | -67.4 | 0 | 0 | 112.5 | A389 E390 I391 M395 M396 R397 M441 L442 | A389-M393 WeakPolarHBondContact O-CG 3.36Å; A389-M393 PolarHBondContact O-N 3.45Å; E390-M393 HydrophobicContact CB-CE 4.43Å; E390-M393 WeakPolarHBondContact O-CB 3.24Å; E390-M393 PolarHBondContact O-N 2.91Å; I391-M393 VanDerWaalsContact C-N 3.33Å; I391-M393 PolarHBondContact O-N 2.92Å; M393-M395 PolarHBondContact O-N 3.25Å; M393-M396 PolarHBondContact O-N 3.42Å; M393-R397 WeakPolarHBondContact O-CG 3.29Å; M393-R397 PolarHBondContact O-N 2.91Å; M393-M441 HydrophobicContact CE-CE 3.87Å; M393-M441 HydrophobicContact CE-SD 4.39Å; M393-M441 HydrophobicContact SD-CE 3.97Å; M393-L442 HydrophobicContact CG-CD2 3.78Å; M393-L442 HydrophobicContact CG-CG 4.4Å; M393-L442 HydrophobicContact SD-CD2 4.21Å; M393-L442 HydrophobicContact SD-CG 4.32Å |
| 394 | K | 88.6 | Confident | 84.2 | Confident | 44 Ų | 44 | 38.2 Ų | 38.2 | 19% | 0.191 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 176.1 | -72.6 | 179.6 | -179 | 172 | 0 | 111.2 | E390 I391 I392 M396 R397 H398 Y410 E1038 | E390-K394 WeakPolarHBondContact O-CG 3.19Å; E390-K394 PolarHBondContact O-N 2.97Å; E390-K394 WeakPolarHBondContact OE1-CE 3.15Å; E390-K394 IonicContact OE1-NZ 2.7Å; E390-K394 PolarHBondContact OE1-NZ 3.13Å; I391-K394 PolarHBondContact O-N 3.4Å; I392-K394 PolarHBondContact O-N 2.94Å; K394-M396 VanDerWaalsContact C-N 3.33Å; K394-M396 PolarHBondContact O-N 2.94Å; K394-R397 PolarHBondContact O-N 2.79Å; K394-H398 PolarHBondContact O-CD2 3.1Å; K394-H398 PolarHBondContact O-N 2.6Å; K394-Y410 HydrophobicContact CB-CD1 3.92Å; K394-Y410 HydrophobicContact CB-CD2 3.96Å; K394-Y410 HydrophobicContact CB-CE1 3.84Å; K394-Y410 HydrophobicContact CB-CE2 3.88Å; K394-Y410 HydrophobicContact CB-CG 4Å; K394-Y410 HydrophobicContact CD-CD1 4.35Å; K394-Y410 HydrophobicContact CD-CE1 3.62Å; K394-Y410 HydrophobicContact CG-CE1 4.33Å; K394-E1038 IonicContact NZ-OE1 3.83Å; K394-E1038 PolarHBondContact NZ-OE1 3.34Å |
| 395 | M | 90.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.1 | -47.3 | 174.8 | 179.3 | -178.3 | 68.5 | 0 | 0 | 111.3 | I391 I392 M393 H398 M399 F411 I453 | I391-M395 WeakPolarHBondContact O-CB 3.5Å; I391-M395 PolarHBondContact O-N 3.33Å; I392-M395 HydrophobicContact CG1-CE 4.48Å; I392-M395 HydrophobicContact CG2-CE 4.15Å; I392-M395 WeakPolarHBondContact O-CB 3.41Å; I392-M395 PolarHBondContact O-N 3.39Å; M393-M395 PolarHBondContact O-N 3.25Å; M395-H398 CarbonylContact O-C 3.5Å; M395-H398 WeakPolarHBondContact O-CA 3.34Å; M395-H398 WeakPolarHBondContact O-CB 3.48Å; M395-H398 PolarHBondContact O-N 3.06Å; M395-H398 VanDerWaalsContact O-N 3.1Å; M395-M399 HydrophobicContact CG-SD 4.04Å; M395-M399 WeakPolarHBondContact O-CG 3.48Å; M395-M399 PolarHBondContact O-N 3.47Å; M395-M399 VanDerWaalsContact O-N 3.14Å; M395-F411 HydrophobicContact SD-CB 3.73Å; M395-F411 HydrophobicContact SD-CD2 3.97Å; M395-F411 HydrophobicContact SD-CG 4.37Å; M395-I453 HydrophobicContact CE-CB 4.34Å; M395-I453 HydrophobicContact CE-CD1 3.81Å; M395-I453 HydrophobicContact CE-CG2 3.63Å; M395-I453 HydrophobicContact SD-CG2 4.47Å |
| 396 | M | 86.2 | Confident | 84.7 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.4 | -37.4 | -177.7 | -69.6 | -176.5 | 66.6 | 0 | 0 | 113.8 | I392 M393 K394 H398 M399 K400 E446 R449 A450 | I392-M396 HydrophobicContact CG2-CG 4.35Å; I392-M396 HydrophobicContact CG2-SD 3.98Å; I392-M396 WeakPolarHBondContact O-CG 3.38Å; I392-M396 PolarHBondContact O-N 2.89Å; M393-M396 PolarHBondContact O-N 3.42Å; K394-M396 VanDerWaalsContact C-N 3.33Å; K394-M396 PolarHBondContact O-N 2.94Å; M396-H398 PolarHBondContact O-N 3.47Å; M396-M399 CarbonylContact O-C 3.58Å; M396-M399 WeakPolarHBondContact O-CA 3.2Å; M396-M399 PolarHBondContact O-N 2.99Å; M396-K400 PolarHBondContact O-N 2.71Å; M396-K400 VanDerWaalsContact O-N 3.09Å; M396-E446 HydrophobicContact CE-CB 3.71Å; M396-E446 HydrophobicContact CE-CG 4.09Å; M396-E446 WeakPolarHBondContact CE-O 3.44Å; M396-R449 HydrophobicContact CE-CB 3.35Å; M396-R449 HydrophobicContact CE-CG 4.43Å; M396-A450 HydrophobicContact SD-CB 3.68Å |
| 397 | R | 86.7 | Confident | 85.2 | Confident | 157 Ų | 157 | 41.9 Ų | 41.9 | 59% | 0.592 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -57.2 | -37.8 | 170.8 | -70.6 | 175.1 | -171.8 | 171.1 | 3.9 | 111.3 | M393 K394 M399 | M393-R397 WeakPolarHBondContact O-CG 3.29Å; M393-R397 PolarHBondContact O-N 2.91Å; K394-R397 PolarHBondContact O-N 2.79Å; R397-M399 VanDerWaalsContact C-N 3.26Å; R397-M399 PolarHBondContact O-N 3.36Å |
| 398 | H | 89.4 | Confident | 85.6 | Confident | 45 Ų | 45 | 41.3 Ų | 41.3 | 21% | 0.208 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0.5 | 175 | -75.6 | -69.7 | 0 | 0 | 0 | 114.5 | K394 M395 M396 A403 D404 K406 A407 Y410 | K394-H398 PolarHBondContact O-CD2 3.1Å; K394-H398 PolarHBondContact O-N 2.6Å; M395-H398 CarbonylContact O-C 3.5Å; M395-H398 WeakPolarHBondContact O-CA 3.34Å; M395-H398 WeakPolarHBondContact O-CB 3.48Å; M395-H398 PolarHBondContact O-N 3.06Å; M395-H398 VanDerWaalsContact O-N 3.1Å; M396-H398 PolarHBondContact O-N 3.47Å; H398-A403 WeakPolarHBondContact O-CA 3.46Å; H398-D404 WeakPolarHBondContact CB-OD1 3.35Å; H398-D404 IonicContact CE1-OD2 2.63Å; H398-D404 IonicContact CG-OD1 2.82Å; H398-D404 IonicContact CG-OD2 3.8Å; H398-D404 IonicContact ND1-OD1 3.84Å; H398-D404 PolarHBondContact ND1-OD1 2.82Å; H398-D404 IonicContact ND1-OD2 3.18Å; H398-D404 PolarHBondContact ND1-OD2 3.49Å; H398-D404 PolarHBondContact O-N 3Å; H398-K406 HydrophobicContact CB-CB 4.45Å; H398-K406 WeakPolarHBondContact CE1-CD 3.38Å; H398-A407 HydrophobicContact CB-CB 3.78Å; H398-Y410 AromaticContact CD2-CD2 3.82Å; H398-Y410 AromaticContact CD2-CE2 3.45Å; H398-Y410 VanDerWaalsContact CD2-CE2 3.45Å; H398-Y410 WeakPolarHBondContact CD2-CE2 3.47Å; H398-Y410 AromaticContact NE2-CE2 3.78Å |
| 399 | M | 86 | Confident | 85.7 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | -0.2 | 172.2 | -66.7 | 178.2 | 63.3 | 0 | 0 | 113.3 | M395 M396 R397 D401 A403 A407 R449 I453 D905 I934 | M395-M399 HydrophobicContact CG-SD 4.04Å; M395-M399 WeakPolarHBondContact O-CG 3.48Å; M395-M399 PolarHBondContact O-N 3.47Å; M395-M399 VanDerWaalsContact O-N 3.14Å; M396-M399 CarbonylContact O-C 3.58Å; M396-M399 WeakPolarHBondContact O-CA 3.2Å; M396-M399 PolarHBondContact O-N 2.99Å; R397-M399 VanDerWaalsContact C-N 3.26Å; R397-M399 PolarHBondContact O-N 3.36Å; M399-D401 PolarHBondContact O-N 3.32Å; M399-A403 HydrophobicContact CG-CB 4.11Å; M399-A407 HydrophobicContact CG-CB 3.89Å; M399-R449 PolarHBondContact O-NH1 3.46Å; M399-I453 HydrophobicContact CE-CD1 3.72Å; M399-I453 HydrophobicContact SD-CD1 3.7Å; M399-D905 HydrophobicContact CE-CB 4.13Å; M399-D905 WeakPolarHBondContact CE-OD1 3.21Å; M399-I934 HydrophobicContact CE-CG2 3.66Å; M399-I934 HydrophobicContact CG-CD1 4.49Å; M399-I934 HydrophobicContact SD-CD1 4.18Å; M399-I934 HydrophobicContact SD-CG2 4.23Å |
| 400 | K | 75.6 | Confident | 86.1 | Confident | 155 Ų | 155 | 45.8 Ų | 45.8 | 67% | 0.674 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -51.4 | -53.7 | -171.5 | -176.4 | 178.3 | 179.7 | 179.5 | 0 | 112.4 | M396 | M396-K400 PolarHBondContact O-N 2.71Å; M396-K400 VanDerWaalsContact O-N 3.09Å |
| 401 | D | 69.3 | Low | 86.5 | Confident | 116 Ų | 116 | 41.3 Ų | 41.3 | 62% | 0.62 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -93.5 | -99.5 | 169.9 | -64.3 | -42.7 | 0 | 0 | 0 | 108.3 | M399 R956 | M399-D401 PolarHBondContact O-N 3.32Å; D401-R956 VanDerWaalsContact C-CZ 3.43Å; D401-R956 PolarHBondContact O-NH1 3.09Å; D401-R956 VanDerWaalsContact O-NH1 3.13Å; D401-R956 PolarHBondContact O-NH2 2.86Å |
| 402 | T | 75.7 | Confident | 86.7 | Confident | 26 Ų | 26 | 41.4 Ų | 41.4 | 16% | 0.16 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -96.5 | 139.1 | 172.6 | 49.7 | 0 | 0 | 0 | 0 | 109.3 | D404 R956 K985 T987 | T402-D404 PolarHBondContact O-N 2.74Å; T402-R956 VanDerWaalsContact CG2-CZ 3.45Å; T402-K985 VanDerWaalsContact CB-CE 3.46Å; T402-K985 WeakPolarHBondContact OG1-CE 3.29Å; T402-K985 PolarHBondContact OG1-NZ 3.42Å; T402-T987 HydrophobicContact CG2-CG2 3.7Å; T402-T987 WeakPolarHBondContact CG2-OG1 3.47Å |
| 403 | A | 82.1 | Confident | 86.8 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 2% | 0.017 | 19% | 0.192 | C | C | . | . | trans | -54.3 | 132.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | H398 M399 A407 I934 T960 | H398-A403 WeakPolarHBondContact O-CA 3.46Å; M399-A403 HydrophobicContact CG-CB 4.11Å; A403-A407 HydrophobicContact CB-CB 4.22Å; A403-I934 HydrophobicContact CB-CB 4Å; A403-I934 HydrophobicContact CB-CD1 4.48Å; A403-I934 HydrophobicContact CB-CG2 3.62Å; A403-T960 HydrophobicContact CB-CG2 3.4Å | ||
| 404 | D | 84.8 | Confident | 87.2 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | trans | -108.6 | -175.3 | 174.5 | 70.4 | 18.6 | 0 | 0 | 0 | 111.7 | H398 T402 K406 A407 | H398-D404 WeakPolarHBondContact CB-OD1 3.35Å; H398-D404 IonicContact CE1-OD2 2.63Å; H398-D404 IonicContact CG-OD1 2.82Å; H398-D404 IonicContact CG-OD2 3.8Å; H398-D404 IonicContact ND1-OD1 3.84Å; H398-D404 PolarHBondContact ND1-OD1 2.82Å; H398-D404 IonicContact ND1-OD2 3.18Å; H398-D404 PolarHBondContact ND1-OD2 3.49Å; H398-D404 PolarHBondContact O-N 3Å; T402-D404 PolarHBondContact O-N 2.74Å; D404-K406 VanDerWaalsContact C-N 3.27Å; D404-K406 PolarHBondContact O-N 2.75Å; D404-K406 WeakPolarHBondContact OD1-CA 3.47Å; D404-K406 WeakPolarHBondContact OD1-CB 3.12Å; D404-K406 PolarHBondContact OD1-N 2.87Å; D404-A407 WeakPolarHBondContact O-CB 3.29Å; D404-A407 PolarHBondContact O-N 2.85Å; D404-A407 PolarHBondContact OD1-N 2.96Å | ||
| 405 | E | 86.6 | Confident | 87.4 | Confident | 21 Ų | 21 | 39.5 Ų | 39.5 | 10% | 0.098 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -33.4 | 177.6 | -175.7 | -100.9 | 137.7 | 0 | 0 | 112.6 | N408 R409 I981 N983 R1024 | E405-N408 WeakPolarHBondContact O-CB 3.26Å; E405-N408 PolarHBondContact O-N 2.77Å; E405-R409 PolarHBondContact O-N 3.3Å; E405-I981 HydrophobicContact CG-CG2 4.03Å; E405-N983 HydrophobicContact CB-CB 4.42Å; E405-N983 HydrophobicContact CG-CB 4.29Å; E405-R1024 IonicContact OE2-CZ 2.73Å; E405-R1024 IonicContact OE2-NH2 3.36Å; E405-R1024 PolarHBondContact OE2-NH2 3.34Å |
| 406 | K | 89.9 | Confident | 87.3 | Confident | 104 Ų | 104 | 40.6 Ų | 40.6 | 45% | 0.452 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -70.7 | -34.6 | 179.7 | -69 | 178.5 | 173.2 | -175.2 | 0 | 111.1 | H398 D404 N408 R409 Y410 | H398-K406 HydrophobicContact CB-CB 4.45Å; H398-K406 WeakPolarHBondContact CE1-CD 3.38Å; D404-K406 VanDerWaalsContact C-N 3.27Å; D404-K406 PolarHBondContact O-N 2.75Å; D404-K406 WeakPolarHBondContact OD1-CA 3.47Å; D404-K406 WeakPolarHBondContact OD1-CB 3.12Å; D404-K406 PolarHBondContact OD1-N 2.87Å; K406-N408 VanDerWaalsContact C-N 3.32Å; K406-N408 PolarHBondContact O-N 2.96Å; K406-R409 WeakPolarHBondContact O-CB 3.35Å; K406-R409 PolarHBondContact O-N 2.8Å; K406-R409 VanDerWaalsContact O-N 3.12Å; K406-Y410 HydrophobicContact CB-CD2 4.37Å; K406-Y410 HydrophobicContact CB-CE2 4.15Å; K406-Y410 WeakPolarHBondContact O-CD2 3.45Å; K406-Y410 PolarHBondContact O-N 2.95Å |
| 407 | A | 92.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.2 | -48.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | H398 M399 A403 D404 R409 Y410 F411 I934 | H398-A407 HydrophobicContact CB-CB 3.78Å; M399-A407 HydrophobicContact CG-CB 3.89Å; A403-A407 HydrophobicContact CB-CB 4.22Å; D404-A407 WeakPolarHBondContact O-CB 3.29Å; D404-A407 PolarHBondContact O-N 2.85Å; D404-A407 PolarHBondContact OD1-N 2.96Å; A407-R409 VanDerWaalsContact C-N 3.31Å; A407-R409 PolarHBondContact O-N 2.81Å; A407-Y410 PolarHBondContact O-N 3.11Å; A407-F411 WeakPolarHBondContact O-CB 3.41Å; A407-F411 PolarHBondContact O-N 3.24Å; A407-I934 HydrophobicContact CB-CD1 3.62Å |
| 408 | N | 92.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.5 | -38.6 | 175.1 | -82.8 | -17.8 | 0 | 0 | 0 | 112.7 | E405 K406 Y412 P932 I934 T960 S962 | E405-N408 WeakPolarHBondContact O-CB 3.26Å; E405-N408 PolarHBondContact O-N 2.77Å; K406-N408 VanDerWaalsContact C-N 3.32Å; K406-N408 PolarHBondContact O-N 2.96Å; N408-Y412 PolarHBondContact O-N 2.89Å; N408-P932 HydrophobicContact CB-CB 3.99Å; N408-P932 HydrophobicContact CB-CG 3.88Å; N408-P932 PolarHBondContact ND2-O 3.2Å; N408-I934 WeakPolarHBondContact OD1-CD1 3.37Å; N408-I934 VanDerWaalsContact OD1-CG1 3.3Å; N408-I934 WeakPolarHBondContact OD1-CG1 3.32Å; N408-I934 PolarHBondContact OD1-N 3.06Å; N408-T960 WeakPolarHBondContact ND2-CG2 3.43Å; N408-T960 PolarHBondContact ND2-O 2.73Å; N408-T960 VanDerWaalsContact ND2-O 3.14Å; N408-S962 WeakPolarHBondContact CB-OG 3.2Å; N408-S962 PolarHBondContact ND2-N 3.01Å; N408-S962 PolarHBondContact ND2-OG 3.44Å |
| 409 | R | 91 | Very high | 87.4 | Confident | 61 Ų | 61 | 30.7 Ų | 30.7 | 23% | 0.23 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.1 | -45.4 | 176.4 | -175.4 | 177.9 | 174.6 | 177 | -0.6 | 112.3 | E405 K406 A407 Y412 K413 E1041 | E405-R409 PolarHBondContact O-N 3.3Å; K406-R409 WeakPolarHBondContact O-CB 3.35Å; K406-R409 PolarHBondContact O-N 2.8Å; K406-R409 VanDerWaalsContact O-N 3.12Å; A407-R409 VanDerWaalsContact C-N 3.31Å; A407-R409 PolarHBondContact O-N 2.81Å; R409-Y412 PolarHBondContact O-N 3.18Å; R409-K413 PolarHBondContact O-N 3.28Å; R409-E1041 IonicContact CZ-OE1 3.02Å; R409-E1041 IonicContact CZ-OE2 2.91Å; R409-E1041 IonicContact NH1-OE1 2.65Å; R409-E1041 PolarHBondContact NH1-OE1 3.45Å; R409-E1041 IonicContact NH1-OE2 3.76Å; R409-E1041 PolarHBondContact NH1-OE2 3.23Å; R409-E1041 IonicContact NH2-OE1 3.43Å; R409-E1041 PolarHBondContact NH2-OE1 3.36Å; R409-E1041 IonicContact NH2-OE2 3.9Å |
| 410 | Y | 92.5 | Very high | 87.2 | Confident | 38 Ų | 38 | 32.7 Ų | 32.7 | 15% | 0.149 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.3 | -38.1 | 177.5 | -70.7 | -61.2 | 0 | 0 | 0 | 112 | I391 K394 H398 K406 A407 Y412 K413 A414 | I391-Y410 HydrophobicContact CG2-CD1 4.27Å; I391-Y410 WeakPolarHBondContact CG2-O 3.28Å; K394-Y410 HydrophobicContact CB-CD1 3.92Å; K394-Y410 HydrophobicContact CB-CD2 3.96Å; K394-Y410 HydrophobicContact CB-CE1 3.84Å; K394-Y410 HydrophobicContact CB-CE2 3.88Å; K394-Y410 HydrophobicContact CB-CG 4Å; K394-Y410 HydrophobicContact CD-CD1 4.35Å; K394-Y410 HydrophobicContact CD-CE1 3.62Å; K394-Y410 HydrophobicContact CG-CE1 4.33Å; H398-Y410 AromaticContact CD2-CD2 3.82Å; H398-Y410 AromaticContact CD2-CE2 3.45Å; H398-Y410 VanDerWaalsContact CD2-CE2 3.45Å; H398-Y410 WeakPolarHBondContact CD2-CE2 3.47Å; H398-Y410 AromaticContact NE2-CE2 3.78Å; K406-Y410 HydrophobicContact CB-CD2 4.37Å; K406-Y410 HydrophobicContact CB-CE2 4.15Å; K406-Y410 WeakPolarHBondContact O-CD2 3.45Å; K406-Y410 PolarHBondContact O-N 2.95Å; A407-Y410 PolarHBondContact O-N 3.11Å; Y410-Y412 VanDerWaalsContact C-N 3.31Å; Y410-Y412 PolarHBondContact O-N 3.43Å; Y410-K413 HydrophobicContact CD1-CD 4.46Å; Y410-K413 PolarHBondContact O-N 3.31Å; Y410-K413 VanDerWaalsContact O-N 3.15Å; Y410-A414 PolarHBondContact O-N 3.43Å |
| 411 | F | 94 | Very high | 87.7 | Confident | 1 Ų | 1 | 25.3 Ų | 25.3 | 0% | 0.004 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -54.1 | -49.5 | 170.6 | 176.1 | -108.1 | 0 | 0 | 0 | 111.2 | M395 A407 K413 A414 V415 N456 L457 Q460 A907 P932 I934 | M395-F411 HydrophobicContact SD-CB 3.73Å; M395-F411 HydrophobicContact SD-CD2 3.97Å; M395-F411 HydrophobicContact SD-CG 4.37Å; A407-F411 WeakPolarHBondContact O-CB 3.41Å; A407-F411 PolarHBondContact O-N 3.24Å; F411-K413 PolarHBondContact O-N 2.86Å; F411-A414 PolarHBondContact O-N 2.88Å; F411-V415 HydrophobicContact CE1-CG2 4.3Å; F411-V415 HydrophobicContact CE2-CG2 4.37Å; F411-V415 HydrophobicContact CZ-CG2 4.16Å; F411-V415 WeakPolarHBondContact O-CG2 3.44Å; F411-V415 PolarHBondContact O-N 3Å; F411-N456 HydrophobicContact CE2-CB 4.48Å; F411-L457 HydrophobicContact CD2-CD2 3.62Å; F411-L457 HydrophobicContact CE2-CD2 3.58Å; F411-L457 HydrophobicContact CE2-CG 4.28Å; F411-Q460 HydrophobicContact CZ-CB 4.3Å; F411-Q460 HydrophobicContact CZ-CG 4.01Å; F411-A907 HydrophobicContact CD1-CB 4.45Å; F411-A907 HydrophobicContact CD2-CB 3.59Å; F411-A907 HydrophobicContact CE1-CB 4.21Å; F411-A907 HydrophobicContact CE2-CB 3.3Å; F411-A907 HydrophobicContact CG-CB 4.16Å; F411-A907 HydrophobicContact CZ-CB 3.63Å; F411-P932 HydrophobicContact CD1-CB 4.04Å; F411-I934 HydrophobicContact CB-CD1 4.38Å |
| 412 | Y | 93 | Very high | 88.4 | Confident | 11 Ų | 11 | 20 Ų | 20 | 4% | 0.043 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.6 | -38.9 | 176.7 | -174.4 | -96.9 | 0 | 0 | 0 | 113 | N408 R409 Y410 A414 V415 Q416 L909 E912 R928 K930 | N408-Y412 PolarHBondContact O-N 2.89Å; R409-Y412 PolarHBondContact O-N 3.18Å; Y410-Y412 VanDerWaalsContact C-N 3.31Å; Y410-Y412 PolarHBondContact O-N 3.43Å; Y412-A414 VanDerWaalsContact C-N 3.34Å; Y412-V415 PolarHBondContact O-N 2.83Å; Y412-Q416 HydrophobicContact CD1-CG 3.95Å; Y412-Q416 HydrophobicContact CE1-CG 3.45Å; Y412-Q416 VanDerWaalsContact CE1-CG 3.45Å; Y412-Q416 VanDerWaalsContact CZ-NE2 3.28Å; Y412-Q416 WeakPolarHBondContact O-CG 3.38Å; Y412-Q416 PolarHBondContact O-N 3.38Å; Y412-Q416 PolarHBondContact OH-NE2 3.25Å; Y412-L909 HydrophobicContact CD2-CD1 4.03Å; Y412-L909 HydrophobicContact CD2-CD2 4.42Å; Y412-L909 HydrophobicContact CE2-CD1 4.33Å; Y412-L909 HydrophobicContact CE2-CD2 4.19Å; Y412-E912 PolarHBondContact OH-OE1 3.39Å; Y412-R928 VanDerWaalsContact OH-CD 3.31Å; Y412-R928 WeakPolarHBondContact OH-CD 3.26Å; Y412-R928 PolarHBondContact OH-NH1 3.48Å; Y412-K930 HydrophobicContact CD1-CD 3.6Å; Y412-K930 HydrophobicContact CD2-CB 4.42Å; Y412-K930 HydrophobicContact CD2-CD 3.76Å; Y412-K930 HydrophobicContact CE1-CD 3.47Å; Y412-K930 VanDerWaalsContact CE1-CD 3.47Å; Y412-K930 HydrophobicContact CE2-CB 4.12Å; Y412-K930 HydrophobicContact CE2-CD 3.66Å; Y412-K930 HydrophobicContact CG-CD 3.73Å |
| 413 | K | 91.2 | Very high | 88.9 | Confident | 33 Ų | 33 | 20.6 Ų | 20.6 | 14% | 0.143 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 174.4 | -78.3 | -166.3 | 169.3 | -152.8 | 0 | 111.8 | I391 R409 Y410 F411 Q416 L417 A1037 | I391-K413 HydrophobicContact CD1-CB 4.27Å; I391-K413 HydrophobicContact CG2-CB 4.14Å; R409-K413 PolarHBondContact O-N 3.28Å; Y410-K413 HydrophobicContact CD1-CD 4.46Å; Y410-K413 PolarHBondContact O-N 3.31Å; Y410-K413 VanDerWaalsContact O-N 3.15Å; F411-K413 PolarHBondContact O-N 2.86Å; K413-Q416 PolarHBondContact O-N 2.87Å; K413-L417 PolarHBondContact O-N 3.38Å; K413-A1037 PolarHBondContact NZ-O 2.9Å; K413-A1037 VanDerWaalsContact NZ-O 3.15Å |
| 414 | A | 92.4 | Very high | 89 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L388 I391 Y410 F411 Y412 Q416 L417 M418 L457 | L388-A414 HydrophobicContact CD1-CB 3.76Å; I391-A414 HydrophobicContact CG2-CB 3.77Å; Y410-A414 PolarHBondContact O-N 3.43Å; F411-A414 PolarHBondContact O-N 2.88Å; Y412-A414 VanDerWaalsContact C-N 3.34Å; A414-Q416 PolarHBondContact O-N 3.4Å; A414-L417 PolarHBondContact O-N 3.26Å; A414-M418 VanDerWaalsContact O-CB 3.31Å; A414-M418 WeakPolarHBondContact O-CB 3.3Å; A414-M418 PolarHBondContact O-N 2.85Å; A414-L457 HydrophobicContact CB-CD1 4.25Å; A414-L457 HydrophobicContact CB-CD2 3.62Å |
| 415 | V | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 173.6 | 169.5 | 0 | 0 | 0 | 0 | 111.5 | F411 Y412 M418 R419 L457 Q460 | F411-V415 HydrophobicContact CE1-CG2 4.3Å; F411-V415 HydrophobicContact CE2-CG2 4.37Å; F411-V415 HydrophobicContact CZ-CG2 4.16Å; F411-V415 WeakPolarHBondContact O-CG2 3.44Å; F411-V415 PolarHBondContact O-N 3Å; Y412-V415 PolarHBondContact O-N 2.83Å; V415-M418 PolarHBondContact O-N 2.86Å; V415-R419 WeakPolarHBondContact O-CG 3.4Å; V415-R419 PolarHBondContact O-N 2.86Å; V415-R419 VanDerWaalsContact O-N 3.13Å; V415-L457 HydrophobicContact CG2-CD2 3.91Å; V415-Q460 HydrophobicContact CG1-CB 4.4Å; V415-Q460 VanDerWaalsContact CG1-O 3.28Å; V415-Q460 WeakPolarHBondContact CG1-O 3.14Å; V415-Q460 HydrophobicContact CG2-CB 3.76Å |
| 416 | Q | 89.1 | Confident | 89.3 | Confident | 22 Ų | 22 | 22.6 Ų | 22.6 | 10% | 0.103 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.1 | -47.1 | 176.6 | -69.6 | -55.9 | -77.9 | 0 | 0 | 111.7 | Y412 K413 A414 M418 R419 Y420 | Y412-Q416 HydrophobicContact CD1-CG 3.95Å; Y412-Q416 HydrophobicContact CE1-CG 3.45Å; Y412-Q416 VanDerWaalsContact CE1-CG 3.45Å; Y412-Q416 VanDerWaalsContact CZ-NE2 3.28Å; Y412-Q416 WeakPolarHBondContact O-CG 3.38Å; Y412-Q416 PolarHBondContact O-N 3.38Å; Y412-Q416 PolarHBondContact OH-NE2 3.25Å; K413-Q416 PolarHBondContact O-N 2.87Å; A414-Q416 PolarHBondContact O-N 3.4Å; Q416-M418 VanDerWaalsContact C-N 3.35Å; Q416-M418 PolarHBondContact O-N 3.46Å; Q416-R419 WeakPolarHBondContact O-CB 3.05Å; Q416-R419 PolarHBondContact O-N 2.85Å; Q416-Y420 WeakPolarHBondContact O-CD2 3.35Å; Q416-Y420 VanDerWaalsContact O-CE2 3.26Å; Q416-Y420 WeakPolarHBondContact O-CE2 3.41Å |
| 417 | L | 87.6 | Confident | 89.1 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.3 | -44.8 | 179.4 | -178.8 | 62.4 | 0 | 0 | 0 | 111.5 | K384 A387 L388 I391 K413 A414 R419 Y420 M421 P1035 L1036 | K384-L417 HydrophobicContact CB-CD1 4.45Å; K384-L417 HydrophobicContact CG-CD1 4.47Å; A387-L417 HydrophobicContact CB-CD2 4.17Å; L388-L417 HydrophobicContact CB-CD2 3.73Å; L388-L417 HydrophobicContact CD1-CD2 4.36Å; I391-L417 HydrophobicContact CD1-CB 4.48Å; I391-L417 HydrophobicContact CD1-CD2 3.91Å; K413-L417 PolarHBondContact O-N 3.38Å; A414-L417 PolarHBondContact O-N 3.26Å; L417-R419 PolarHBondContact O-N 3.39Å; L417-Y420 PolarHBondContact O-N 3.12Å; L417-M421 HydrophobicContact CG-SD 4.18Å; L417-M421 WeakPolarHBondContact O-CG 2.87Å; L417-P1035 HydrophobicContact CD1-CG 4.43Å; L417-L1036 HydrophobicContact CD2-CD2 4.03Å |
| 418 | M | 89.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.2 | -28.5 | -180 | -168.6 | 176.2 | -72.3 | 0 | 0 | 112.9 | L388 A414 V415 Q416 Y420 M421 I426 M454 L457 L458 A461 | L388-M418 HydrophobicContact CD1-CE 4.44Å; L388-M418 HydrophobicContact CD2-CE 3.63Å; A414-M418 VanDerWaalsContact O-CB 3.31Å; A414-M418 WeakPolarHBondContact O-CB 3.3Å; A414-M418 PolarHBondContact O-N 2.85Å; V415-M418 PolarHBondContact O-N 2.86Å; Q416-M418 VanDerWaalsContact C-N 3.35Å; Q416-M418 PolarHBondContact O-N 3.46Å; M418-Y420 PolarHBondContact O-N 3.12Å; M418-M421 PolarHBondContact O-N 2.92Å; M418-I426 HydrophobicContact CG-CD1 4.16Å; M418-I426 HydrophobicContact CG-CG1 4.36Å; M418-M454 HydrophobicContact CE-SD 3.98Å; M418-L457 HydrophobicContact CE-CB 3.59Å; M418-L457 HydrophobicContact CE-CD1 4.4Å; M418-L457 VanDerWaalsContact SD-C 3.5Å; M418-L457 HydrophobicContact SD-CB 4.01Å; M418-L458 HydrophobicContact CE-CD2 4.44Å; M418-L458 HydrophobicContact SD-CD2 3.86Å; M418-L458 HydrophobicContact SD-CG 4.3Å; M418-A461 HydrophobicContact CB-CB 3.98Å; M418-A461 HydrophobicContact CG-CB 3.74Å; M418-A461 HydrophobicContact SD-CB 3.83Å |
| 419 | R | 88.1 | Confident | 88.3 | Confident | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.015 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.2 | -21 | 171.2 | -75.1 | 171.8 | -174.6 | 172.2 | 9.5 | 113.5 | F362 Y363 V415 Q416 L417 Q460 A461 T463 P495 E912 | F362-R419 VanDerWaalsContact CE1-O 3.23Å; F362-R419 WeakPolarHBondContact CE1-O 3.06Å; Y363-R419 HydrophobicContact CE1-CB 3.83Å; Y363-R419 WeakPolarHBondContact CE1-O 3.33Å; V415-R419 WeakPolarHBondContact O-CG 3.4Å; V415-R419 PolarHBondContact O-N 2.86Å; V415-R419 VanDerWaalsContact O-N 3.13Å; Q416-R419 WeakPolarHBondContact O-CB 3.05Å; Q416-R419 PolarHBondContact O-N 2.85Å; L417-R419 PolarHBondContact O-N 3.39Å; R419-Q460 PolarHBondContact NH2-O 2.76Å; R419-Q460 VanDerWaalsContact NH2-O 3.09Å; R419-A461 HydrophobicContact CG-CB 4.28Å; R419-A461 WeakPolarHBondContact CG-O 3.47Å; R419-A461 PolarHBondContact NE-O 2.77Å; R419-T463 HydrophobicContact CB-CG2 4.23Å; R419-T463 HydrophobicContact CG-CG2 4.08Å; R419-P495 VanDerWaalsContact CZ-CG 3.44Å; R419-E912 IonicContact CZ-OE2 3.73Å; R419-E912 VanDerWaalsContact CZ-OE2 3.25Å; R419-E912 IonicContact NH1-OE1 3.55Å; R419-E912 PolarHBondContact NH1-OE1 3.27Å; R419-E912 IonicContact NH1-OE2 3.82Å; R419-E912 PolarHBondContact NH1-OE2 3.01Å; R419-E912 IonicContact NH2-OE2 3.95Å; R419-E912 PolarHBondContact NH2-OE2 3.06Å |
| 420 | Y | 80.6 | Confident | 87.6 | Confident | 44 Ų | 44 | 22.7 Ų | 22.7 | 17% | 0.173 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 8.5 | 179 | -57.6 | -71.7 | 0 | 0 | 0 | 113.6 | F359 Y363 F375 K384 Q416 L417 M418 P1035 | F359-Y420 AromaticContact CD1-CD1 3.98Å; F359-Y420 HydrophobicContact CD1-CD1 3.98Å; F359-Y420 AromaticContact CD1-CE1 3.62Å; F359-Y420 HydrophobicContact CD1-CE1 3.62Å; F359-Y420 AromaticContact CE1-CD1 3.74Å; F359-Y420 HydrophobicContact CE1-CD1 3.74Å; F359-Y420 AromaticContact CE1-CE1 3.48Å; F359-Y420 HydrophobicContact CE1-CE1 3.48Å; F359-Y420 VanDerWaalsContact CE1-CE1 3.48Å; F359-Y420 HydrophobicContact CZ-CE1 4.27Å; Y363-Y420 WeakPolarHBondContact OH-CE1 3.02Å; F375-Y420 AromaticContact CE1-CD1 3.92Å; F375-Y420 HydrophobicContact CE1-CD1 3.92Å; K384-Y420 PolarHBondContact NZ-O 2.83Å; Q416-Y420 WeakPolarHBondContact O-CD2 3.35Å; Q416-Y420 VanDerWaalsContact O-CE2 3.26Å; Q416-Y420 WeakPolarHBondContact O-CE2 3.41Å; L417-Y420 PolarHBondContact O-N 3.12Å; M418-Y420 PolarHBondContact O-N 3.12Å; Y420-P1035 HydrophobicContact CD2-CG 4.47Å |
| 421 | M | 85.3 | Confident | 87 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -100.6 | 136.6 | -178.1 | -67.8 | 173.1 | 76.4 | 0 | 0 | 111 | K384 L388 L417 M418 E425 I426 T429 | K384-M421 HydrophobicContact CB-CE 4.1Å; K384-M421 HydrophobicContact CB-CG 4.02Å; K384-M421 HydrophobicContact CB-SD 4.32Å; K384-M421 HydrophobicContact CD-CG 3.95Å; L388-M421 HydrophobicContact CB-CE 4.5Å; L388-M421 HydrophobicContact CB-SD 4.29Å; L388-M421 HydrophobicContact CD2-CE 4Å; L388-M421 HydrophobicContact CD2-SD 3.69Å; L417-M421 HydrophobicContact CG-SD 4.18Å; L417-M421 WeakPolarHBondContact O-CG 2.87Å; M418-M421 PolarHBondContact O-N 2.92Å; M421-E425 WeakPolarHBondContact CA-OE2 3.44Å; M421-E425 HydrophobicContact CB-CB 4.11Å; M421-E425 HydrophobicContact CE-CB 3.84Å; M421-E425 WeakPolarHBondContact CE-O 3.04Å; M421-E425 HydrophobicContact CG-CB 4.44Å; M421-I426 HydrophobicContact CB-CD1 4.24Å; M421-I426 HydrophobicContact CB-CG1 3.68Å; M421-I426 HydrophobicContact CE-CG1 4.48Å; M421-T429 VanDerWaalsContact CE-OG1 3.3Å; M421-T429 WeakPolarHBondContact CE-OG1 3.43Å | ||
| 422 | S | 84.2 | Confident | 86.2 | Confident | 6 Ų | 6 | 30.3 Ų | 30.3 | 4% | 0.042 | 15% | 0.149 | C | C | . | . | trans | -66.4 | 163.6 | 168.4 | 63.2 | 0 | 0 | 0 | 0 | 111.2 | D367 S424 E425 I426 | D367-S422 WeakPolarHBondContact OD1-CA 3.2Å; D367-S422 WeakPolarHBondContact OD2-CB 3.34Å; S422-S424 PolarHBondContact O-N 2.73Å; S422-S424 PolarHBondContact OG-OG 3.29Å; S422-E425 WeakPolarHBondContact CB-OE2 3.06Å; S422-E425 PolarHBondContact N-OE2 3.21Å; S422-E425 PolarHBondContact O-N 2.98Å; S422-E425 VanDerWaalsContact OG-CG 3.24Å; S422-E425 WeakPolarHBondContact OG-CG 3.3Å; S422-E425 PolarHBondContact OG-N 2.87Å; S422-E425 PolarHBondContact OG-OE2 3.07Å; S422-I426 WeakPolarHBondContact O-CG1 3.27Å; S422-I426 PolarHBondContact O-N 3.45Å | ||
| 423 | E | 86.4 | Confident | 85.3 | Confident | 37 Ų | 37 | 33 Ų | 33 | 17% | 0.173 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.9 | -39.2 | 177.2 | -160.6 | -179.2 | 128.5 | 0 | 0 | 111.2 | D367 I426 R427 R468 Q469 | D367-E423 PolarHBondContact OD1-N 2.81Å; D367-E423 WeakPolarHBondContact OD2-CB 3.44Å; D367-E423 PolarHBondContact OD2-N 3.14Å; E423-I426 PolarHBondContact O-N 2.77Å; E423-R427 WeakPolarHBondContact O-CB 3.39Å; E423-R427 PolarHBondContact O-N 2.83Å; E423-R427 IonicContact OE1-NH2 2.86Å; E423-R427 PolarHBondContact OE1-NH2 3.08Å; E423-R468 WeakPolarHBondContact OE2-CD 3.31Å; E423-R468 IonicContact OE2-NH1 3.88Å; E423-Q469 HydrophobicContact CG-CG 3.92Å |
| 424 | S | 85.6 | Confident | 84.6 | Confident | 76 Ų | 76 | 31.5 Ų | 31.5 | 53% | 0.531 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 177.1 | 72.5 | 0 | 0 | 0 | 0 | 113.4 | S422 R427 S428 | S422-S424 PolarHBondContact O-N 2.73Å; S422-S424 PolarHBondContact OG-OG 3.29Å; S424-R427 PolarHBondContact O-N 3.19Å; S424-S428 VanDerWaalsContact O-CB 3.27Å; S424-S428 WeakPolarHBondContact O-CB 3.23Å; S424-S428 PolarHBondContact O-N 2.77Å |
| 425 | E | 88.1 | Confident | 83.4 | Confident | 34 Ų | 34 | 32.3 Ų | 32.3 | 16% | 0.159 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.5 | -40 | 177.5 | -73.2 | 166.5 | 132.2 | 0 | 0 | 111 | Y370 K384 S385 M421 S422 T429 | Y370-E425 PolarHBondContact OH-OE1 2.83Å; Y370-E425 PolarHBondContact OH-OE2 2.91Å; K384-E425 VanDerWaalsContact CD-OE1 3.28Å; K384-E425 WeakPolarHBondContact CD-OE1 3.16Å; K384-E425 WeakPolarHBondContact CE-OE1 3.46Å; K384-E425 IonicContact NZ-OE1 3.13Å; K384-E425 PolarHBondContact NZ-OE1 2.77Å; K384-E425 IonicContact NZ-OE2 2.94Å; S385-E425 PolarHBondContact OG-O 3.28Å; M421-E425 WeakPolarHBondContact CA-OE2 3.44Å; M421-E425 HydrophobicContact CB-CB 4.11Å; M421-E425 HydrophobicContact CE-CB 3.84Å; M421-E425 WeakPolarHBondContact CE-O 3.04Å; M421-E425 HydrophobicContact CG-CB 4.44Å; S422-E425 WeakPolarHBondContact CB-OE2 3.06Å; S422-E425 PolarHBondContact N-OE2 3.21Å; S422-E425 PolarHBondContact O-N 2.98Å; S422-E425 VanDerWaalsContact OG-CG 3.24Å; S422-E425 WeakPolarHBondContact OG-CG 3.3Å; S422-E425 PolarHBondContact OG-N 2.87Å; S422-E425 PolarHBondContact OG-OE2 3.07Å; E425-T429 PolarHBondContact O-N 2.7Å; E425-T429 PolarHBondContact O-OG1 2.86Å |
| 426 | I | 88.3 | Confident | 82 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 175.6 | -64.6 | 172.1 | 0 | 0 | 0 | 110 | M418 M421 S422 E423 T429 N430 L458 Q469 | M418-I426 HydrophobicContact CG-CD1 4.16Å; M418-I426 HydrophobicContact CG-CG1 4.36Å; M421-I426 HydrophobicContact CB-CD1 4.24Å; M421-I426 HydrophobicContact CB-CG1 3.68Å; M421-I426 HydrophobicContact CE-CG1 4.48Å; S422-I426 WeakPolarHBondContact O-CG1 3.27Å; S422-I426 PolarHBondContact O-N 3.45Å; E423-I426 PolarHBondContact O-N 2.77Å; I426-T429 PolarHBondContact O-N 2.71Å; I426-N430 PolarHBondContact O-N 2.88Å; I426-L458 HydrophobicContact CG2-CD2 3.58Å; I426-Q469 HydrophobicContact CG2-CB 4.28Å; I426-Q469 HydrophobicContact CG2-CG 4.06Å |
| 427 | R | 87.2 | Confident | 80.4 | Confident | 96 Ų | 96 | 50.9 Ų | 50.9 | 36% | 0.362 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60 | -51.4 | 177.2 | -168.5 | 173.2 | -62.8 | 149.5 | 7.6 | 111.4 | E423 S424 T429 N430 E431 | E423-R427 WeakPolarHBondContact O-CB 3.39Å; E423-R427 PolarHBondContact O-N 2.83Å; E423-R427 IonicContact OE1-NH2 2.86Å; E423-R427 PolarHBondContact OE1-NH2 3.08Å; S424-R427 PolarHBondContact O-N 3.19Å; R427-T429 VanDerWaalsContact C-N 3.26Å; R427-T429 PolarHBondContact O-N 2.83Å; R427-N430 PolarHBondContact O-N 3.14Å; R427-E431 HydrophobicContact CG-CG 4.43Å; R427-E431 WeakPolarHBondContact CG-OE1 3.31Å; R427-E431 WeakPolarHBondContact O-CG 3.23Å; R427-E431 PolarHBondContact O-N 2.95Å |
| 428 | S | 83.5 | Confident | 78.8 | Confident | 38 Ų | 38 | 56 Ų | 56 | 27% | 0.266 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -54.4 | -42.8 | 177.4 | 179.6 | 0 | 0 | 0 | 0 | 111.7 | S424 N430 E431 H432 | S424-S428 VanDerWaalsContact O-CB 3.27Å; S424-S428 WeakPolarHBondContact O-CB 3.23Å; S424-S428 PolarHBondContact O-N 2.77Å; S428-N430 PolarHBondContact O-N 2.92Å; S428-E431 PolarHBondContact O-N 3.45Å; S428-H432 VanDerWaalsContact O-CB 3.28Å; S428-H432 WeakPolarHBondContact O-CB 3.49Å; S428-H432 PolarHBondContact O-N 3.23Å; S428-H432 PolarHBondContact O-ND1 2.85Å; S428-H432 PolarHBondContact OG-ND1 3.07Å |
| 429 | T | 82.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -46 | 177.9 | -48.4 | 0 | 0 | 0 | 0 | 111.9 | S385 L388 M421 E425 I426 R427 E431 H433 F434 | S385-T429 WeakPolarHBondContact CA-OG1 3.37Å; S385-T429 WeakPolarHBondContact CB-OG1 3.47Å; S385-T429 PolarHBondContact OG-OG1 2.04Å; S385-T429 VanDerWaalsContact OG-OG1 3.08Å; L388-T429 HydrophobicContact CB-CG2 4.28Å; L388-T429 HydrophobicContact CD2-CG2 3.97Å; L388-T429 HydrophobicContact CG-CG2 4.25Å; M421-T429 VanDerWaalsContact CE-OG1 3.3Å; M421-T429 WeakPolarHBondContact CE-OG1 3.43Å; E425-T429 PolarHBondContact O-N 2.7Å; E425-T429 PolarHBondContact O-OG1 2.86Å; I426-T429 PolarHBondContact O-N 2.71Å; R427-T429 VanDerWaalsContact C-N 3.26Å; R427-T429 PolarHBondContact O-N 2.83Å; T429-E431 VanDerWaalsContact C-N 3.35Å; T429-H433 WeakPolarHBondContact O-CB 3.02Å; T429-H433 PolarHBondContact O-N 3.25Å; T429-F434 HydrophobicContact CG2-CD2 4.25Å; T429-F434 HydrophobicContact CG2-CE2 3.88Å |
| 430 | N | 77.7 | Confident | 75.2 | Confident | 33 Ų | 33 | 64.8 Ų | 64.8 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.7 | -36.6 | -178.3 | -175.6 | 67.2 | 0 | 0 | 0 | 112.2 | I426 R427 S428 F434 G435 M454 K473 | I426-N430 PolarHBondContact O-N 2.88Å; R427-N430 PolarHBondContact O-N 3.14Å; S428-N430 PolarHBondContact O-N 2.92Å; N430-F434 CarbonylContact O-C 3.56Å; N430-F434 VanDerWaalsContact O-C 3.3Å; N430-G435 PolarHBondContact O-N 2.79Å; N430-M454 HydrophobicContact CB-CE 3.97Å; N430-K473 PolarHBondContact ND2-NZ 2.79Å |
| 431 | E | 78.7 | Confident | 74.4 | Confident | 108 Ų | 108 | 70.1 Ų | 70.1 | 51% | 0.505 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -77 | -50.7 | 179.8 | -71.1 | 171.8 | -178.4 | 0 | 0 | 112.3 | R427 S428 T429 G435 | R427-E431 HydrophobicContact CG-CG 4.43Å; R427-E431 WeakPolarHBondContact CG-OE1 3.31Å; R427-E431 WeakPolarHBondContact O-CG 3.23Å; R427-E431 PolarHBondContact O-N 2.95Å; S428-E431 PolarHBondContact O-N 3.45Å; T429-E431 VanDerWaalsContact C-N 3.35Å; E431-G435 WeakPolarHBondContact O-CA 3.43Å; E431-G435 PolarHBondContact O-N 3.04Å |
| 432 | H | 77 | Confident | 73.4 | Confident | 91 Ų | 91 | 71.2 Ų | 71.2 | 42% | 0.421 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -79.3 | -40.7 | -173.8 | -64.3 | 95.1 | 0 | 0 | 0 | 112.9 | S428 Q438 | S428-H432 VanDerWaalsContact O-CB 3.28Å; S428-H432 WeakPolarHBondContact O-CB 3.49Å; S428-H432 PolarHBondContact O-N 3.23Å; S428-H432 PolarHBondContact O-ND1 2.85Å; S428-H432 PolarHBondContact OG-ND1 3.07Å; H432-Q438 PolarHBondContact O-OE1 3.02Å |
| 433 | H | 75.5 | Confident | 72.9 | Confident | 67 Ų | 67 | 74.3 Ų | 74.3 | 31% | 0.31 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | -27.5 | -174.8 | -65.5 | -69.8 | 0 | 0 | 0 | 113.9 | A386 A389 T429 | A386-H433 WeakPolarHBondContact CA-NE2 3.28Å; A389-H433 HydrophobicContact CB-CB 3.76Å; T429-H433 WeakPolarHBondContact O-CB 3.02Å; T429-H433 PolarHBondContact O-N 3.25Å |
| 434 | F | 75.3 | Confident | 72.4 | Confident | 2 Ų | 2 | 77.7 Ų | 77.7 | 1% | 0.009 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122 | 2.3 | -174.6 | -54.4 | -62.8 | 0 | 0 | 0 | 114 | A389 I392 T429 N430 L442 A450 R451 M454 | A389-F434 HydrophobicContact CB-CE2 4.47Å; A389-F434 HydrophobicContact CB-CZ 4.14Å; I392-F434 HydrophobicContact CB-CZ 4.05Å; I392-F434 HydrophobicContact CD1-CE2 3.72Å; I392-F434 HydrophobicContact CD1-CZ 3.68Å; I392-F434 HydrophobicContact CG1-CZ 4.47Å; I392-F434 HydrophobicContact CG2-CE1 4.2Å; I392-F434 HydrophobicContact CG2-CZ 3.9Å; T429-F434 HydrophobicContact CG2-CD2 4.25Å; T429-F434 HydrophobicContact CG2-CE2 3.88Å; N430-F434 CarbonylContact O-C 3.56Å; N430-F434 VanDerWaalsContact O-C 3.3Å; F434-L442 HydrophobicContact CD1-CD1 4.03Å; F434-L442 HydrophobicContact CE1-CD1 3.8Å; F434-A450 HydrophobicContact CD1-CB 3.62Å; F434-A450 HydrophobicContact CE1-CB 3.55Å; F434-A450 HydrophobicContact CZ-CB 4.42Å; F434-R451 VanDerWaalsContact O-CZ 3.31Å; F434-R451 PolarHBondContact O-NE 2.93Å; F434-R451 PolarHBondContact O-NH2 2.91Å; F434-M454 HydrophobicContact CD2-CE 4.21Å; F434-M454 HydrophobicContact CE2-CE 4.49Å |
| 435 | G | 67.7 | Low | 71.7 | Confident | 18 Ų | 18 | 80.6 Ų | 80.6 | 19% | 0.186 | 42% | 0.419 | C | S | . | . | trans | -63 | 165 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N430 E431 Q437 R451 | N430-G435 PolarHBondContact O-N 2.79Å; E431-G435 WeakPolarHBondContact O-CA 3.43Å; E431-G435 PolarHBondContact O-N 3.04Å; G435-Q437 VanDerWaalsContact C-N 3.34Å; G435-Q437 PolarHBondContact O-N 3.28Å; G435-R451 PolarHBondContact O-NH2 3.27Å | ||
| 436 | R | 62.8 | Low | 71.1 | Confident | 221 Ų | 221 | 81.9 Ų | 81.9 | 83% | 0.834 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19.8 | -176.3 | -75.2 | -175.9 | -179.7 | -178.7 | 1.6 | 114.5 | R451 | R436-R451 VanDerWaalsContact CA-NH2 3.3Š|
| 437 | Q | 57.2 | Low | 70.6 | Confident | 191 Ų | 191 | 83.9 Ų | 83.9 | 89% | 0.893 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112 | 7.3 | -163.5 | -69.6 | -169.7 | -26.8 | 0 | 0 | 116.5 | G435 | G435-Q437 VanDerWaalsContact C-N 3.34Å; G435-Q437 PolarHBondContact O-N 3.28Å |
| 438 | Q | 54.3 | Low | 70.1 | Confident | 108 Ų | 108 | 85.3 Ų | 85.3 | 51% | 0.505 | 44% | 0.443 | S | S | . | . | trans | -106.3 | 139.2 | 179.1 | -75.7 | -165.8 | 1.9 | 0 | 0 | 114.6 | H432 R447 | H432-Q438 PolarHBondContact O-OE1 3.02Å; Q438-R447 PolarHBondContact O-NH1 3.4Å; Q438-R447 PolarHBondContact O-NH2 3.09Å | ||
| 439 | S | 44.5 | Very low | 70 | Confident | 133 Ų | 133 | 85.8 Ų | 85.8 | 93% | 0.93 | 44% | 0.439 | S | S | * | . | trans | -100.3 | 107.6 | 172.2 | -66.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 440 | G | 56.8 | Low | 69.9 | Low | 55 Ų | 55 | 85.9 Ų | 85.9 | 57% | 0.567 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 161.9 | 139.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | L442 | G440-L442 VanDerWaalsContact C-N 3.34Å; G440-L442 PolarHBondContact O-N 3.07Å |
| 441 | M | 62.6 | Low | 70.2 | Confident | 157 Ų | 157 | 88.3 Ų | 88.3 | 77% | 0.773 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 58.2 | -40.5 | -178.8 | -78.2 | -167.7 | 82.2 | 0 | 0 | 120.8 | M393 | M393-M441 HydrophobicContact CE-CE 3.87Å; M393-M441 HydrophobicContact CE-SD 4.39Å; M393-M441 HydrophobicContact SD-CE 3.97Å |
| 442 | L | 66.2 | Low | 70.4 | Confident | 23 Ų | 23 | 86 Ų | 86 | 12% | 0.12 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -101.4 | 135 | -175 | -73.6 | 158.1 | 0 | 0 | 0 | 111.5 | M393 F434 G440 E446 R447 | M393-L442 HydrophobicContact CG-CD2 3.78Å; M393-L442 HydrophobicContact CG-CG 4.4Å; M393-L442 HydrophobicContact SD-CD2 4.21Å; M393-L442 HydrophobicContact SD-CG 4.32Å; F434-L442 HydrophobicContact CD1-CD1 4.03Å; F434-L442 HydrophobicContact CE1-CD1 3.8Å; G440-L442 VanDerWaalsContact C-N 3.34Å; G440-L442 PolarHBondContact O-N 3.07Å; L442-E446 HydrophobicContact CB-CB 4.37Å; L442-E446 HydrophobicContact CD2-CB 3.63Å; L442-R447 HydrophobicContact CB-CB 4.43Å |
| 443 | T | 73.5 | Confident | 70.9 | Confident | 70 Ų | 70 | 81.7 Ų | 81.7 | 43% | 0.429 | 42% | 0.418 | S | S | . | . | trans | -62.4 | 156.3 | 166.8 | 60.2 | 0 | 0 | 0 | 0 | 110.5 | E445 E446 R447 | T443-E445 PolarHBondContact O-N 3.08Å; T443-E446 WeakPolarHBondContact CB-OE2 3.42Å; T443-E446 WeakPolarHBondContact CG2-OE2 3.41Å; T443-E446 PolarHBondContact N-OE2 3.4Å; T443-E446 PolarHBondContact O-N 3.39Å; T443-E446 VanDerWaalsContact O-N 3.09Å; T443-E446 WeakPolarHBondContact OG1-CB 3.19Å; T443-E446 WeakPolarHBondContact OG1-CG 3.45Å; T443-E446 PolarHBondContact OG1-N 3.46Å; T443-E446 PolarHBondContact OG1-OE2 2.9Å; T443-R447 PolarHBondContact O-N 3.49Å | ||
| 444 | P | 74.7 | Confident | 71.6 | Confident | 109 Ų | 109 | 78.8 Ų | 78.8 | 71% | 0.708 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -53.4 | -41 | 176.9 | -27.6 | 35.5 | 0 | 0 | 0 | 113.1 | R447 E448 | P444-R447 PolarHBondContact O-N 3.36Å; P444-E448 PolarHBondContact O-N 3.11Å |
| 445 | E | 71.7 | Confident | 72.4 | Confident | 137 Ų | 137 | 79.1 Ų | 79.1 | 64% | 0.64 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.8 | -43.8 | 175.8 | -65.8 | -175.5 | -175.7 | 0 | 0 | 112.3 | T443 R447 E448 R449 | T443-E445 PolarHBondContact O-N 3.08Å; E445-R447 VanDerWaalsContact C-N 3.31Å; E445-R447 PolarHBondContact O-N 2.79Å; E445-E448 PolarHBondContact O-N 3.06Å; E445-R449 WeakPolarHBondContact O-CB 3.41Å; E445-R449 PolarHBondContact O-N 3.33Å |
| 446 | E | 74.8 | Confident | 73.6 | Confident | 61 Ų | 61 | 78.3 Ų | 78.3 | 29% | 0.285 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.3 | -34.6 | 176.7 | -69.8 | 165.8 | 142 | 0 | 0 | 111.5 | M396 L442 T443 A450 | M396-E446 HydrophobicContact CE-CB 3.71Å; M396-E446 HydrophobicContact CE-CG 4.09Å; M396-E446 WeakPolarHBondContact CE-O 3.44Å; L442-E446 HydrophobicContact CB-CB 4.37Å; L442-E446 HydrophobicContact CD2-CB 3.63Å; T443-E446 WeakPolarHBondContact CB-OE2 3.42Å; T443-E446 WeakPolarHBondContact CG2-OE2 3.41Å; T443-E446 PolarHBondContact N-OE2 3.4Å; T443-E446 PolarHBondContact O-N 3.39Å; T443-E446 VanDerWaalsContact O-N 3.09Å; T443-E446 WeakPolarHBondContact OG1-CB 3.19Å; T443-E446 WeakPolarHBondContact OG1-CG 3.45Å; T443-E446 PolarHBondContact OG1-N 3.46Å; T443-E446 PolarHBondContact OG1-OE2 2.9Å; E446-A450 VanDerWaalsContact O-CB 3.26Å; E446-A450 WeakPolarHBondContact O-CB 3.31Å; E446-A450 PolarHBondContact O-N 3.2Å |
| 447 | R | 77.3 | Confident | 75.1 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 17% | 0.166 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.7 | -40.6 | 175.2 | -168.2 | 177.4 | -62.9 | 170.3 | -7.9 | 111.7 | Q438 L442 T443 P444 E445 R451 | Q438-R447 PolarHBondContact O-NH1 3.4Å; Q438-R447 PolarHBondContact O-NH2 3.09Å; L442-R447 HydrophobicContact CB-CB 4.43Å; T443-R447 PolarHBondContact O-N 3.49Å; P444-R447 PolarHBondContact O-N 3.36Å; E445-R447 VanDerWaalsContact C-N 3.31Å; E445-R447 PolarHBondContact O-N 2.79Å; R447-R451 WeakPolarHBondContact O-CG 3.34Å; R447-R451 PolarHBondContact O-N 3.12Å |
| 448 | E | 77.2 | Confident | 76.9 | Confident | 125 Ų | 125 | 58.8 Ų | 58.8 | 58% | 0.584 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -66.2 | -46.9 | 177.2 | -173.2 | 173.3 | -173.1 | 0 | 0 | 111.8 | P444 E445 A450 R451 N452 | P444-E448 PolarHBondContact O-N 3.11Å; E445-E448 PolarHBondContact O-N 3.06Å; E448-A450 PolarHBondContact O-N 3.44Å; E448-R451 PolarHBondContact O-N 3.12Å; E448-N452 VanDerWaalsContact O-CG 3.27Å; E448-N452 PolarHBondContact O-N 3.33Å; E448-N452 PolarHBondContact O-ND2 2.97Å |
| 449 | R | 81 | Confident | 78.7 | Confident | 49 Ų | 49 | 53.7 Ų | 53.7 | 19% | 0.185 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 174.6 | -79.2 | -170.3 | -157.7 | -171 | 5.8 | 112.2 | M396 M399 E445 R451 N452 I453 | M396-R449 HydrophobicContact CE-CB 3.35Å; M396-R449 HydrophobicContact CE-CG 4.43Å; M399-R449 PolarHBondContact O-NH1 3.46Å; E445-R449 WeakPolarHBondContact O-CB 3.41Å; E445-R449 PolarHBondContact O-N 3.33Å; R449-R451 PolarHBondContact O-N 3.02Å; R449-N452 PolarHBondContact O-N 2.9Å; R449-I453 WeakPolarHBondContact O-CG1 3.31Å; R449-I453 PolarHBondContact O-N 2.96Å; R449-I453 VanDerWaalsContact O-N 3.07Å |
| 450 | A | 82.5 | Confident | 81.1 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.7 | -44.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I392 M396 F434 E446 E448 N452 I453 M454 | I392-A450 HydrophobicContact CG2-CB 4.04Å; M396-A450 HydrophobicContact SD-CB 3.68Å; F434-A450 HydrophobicContact CD1-CB 3.62Å; F434-A450 HydrophobicContact CE1-CB 3.55Å; F434-A450 HydrophobicContact CZ-CB 4.42Å; E446-A450 VanDerWaalsContact O-CB 3.26Å; E446-A450 WeakPolarHBondContact O-CB 3.31Å; E446-A450 PolarHBondContact O-N 3.2Å; E448-A450 PolarHBondContact O-N 3.44Å; A450-N452 VanDerWaalsContact C-N 3.29Å; A450-N452 PolarHBondContact O-N 3.45Å; A450-I453 PolarHBondContact O-N 3.32Å; A450-M454 PolarHBondContact O-N 2.77Å |
| 451 | R | 82.8 | Confident | 82.7 | Confident | 84 Ų | 84 | 45.3 Ų | 45.3 | 32% | 0.317 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62 | -36 | 174.5 | -74.2 | 179.7 | -172.7 | 160.7 | 10.9 | 112.5 | F434 G435 R436 R447 E448 R449 P455 | F434-R451 VanDerWaalsContact O-CZ 3.31Å; F434-R451 PolarHBondContact O-NE 2.93Å; F434-R451 PolarHBondContact O-NH2 2.91Å; G435-R451 PolarHBondContact O-NH2 3.27Å; R436-R451 VanDerWaalsContact CA-NH2 3.3Å; R447-R451 WeakPolarHBondContact O-CG 3.34Å; R447-R451 PolarHBondContact O-N 3.12Å; E448-R451 PolarHBondContact O-N 3.12Å; R449-R451 PolarHBondContact O-N 3.02Å; R451-P455 WeakPolarHBondContact O-CD 3.45Å |
| 452 | N | 82.2 | Confident | 84 | Confident | 59 Ų | 59 | 37.9 Ų | 37.9 | 32% | 0.316 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -69.9 | -30.4 | 178.3 | -71.9 | -19.3 | 0 | 0 | 0 | 113.1 | E448 R449 A450 N456 K483 | E448-N452 VanDerWaalsContact O-CG 3.27Å; E448-N452 PolarHBondContact O-N 3.33Å; E448-N452 PolarHBondContact O-ND2 2.97Å; R449-N452 PolarHBondContact O-N 2.9Å; A450-N452 VanDerWaalsContact C-N 3.29Å; A450-N452 PolarHBondContact O-N 3.45Å; N452-N456 PolarHBondContact O-OD1 3.35Å; N452-K483 VanDerWaalsContact O-CE 3.26Å; N452-K483 WeakPolarHBondContact O-CE 3.44Å; N452-K483 PolarHBondContact O-NZ 2.91Å |
| 453 | I | 88.3 | Confident | 85.2 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -87.9 | -24.3 | 178.2 | -63.9 | 170.4 | 0 | 0 | 0 | 112.4 | M395 M399 R449 A450 N456 L457 D905 | M395-I453 HydrophobicContact CE-CB 4.34Å; M395-I453 HydrophobicContact CE-CD1 3.81Å; M395-I453 HydrophobicContact CE-CG2 3.63Å; M395-I453 HydrophobicContact SD-CG2 4.47Å; M399-I453 HydrophobicContact CE-CD1 3.72Å; M399-I453 HydrophobicContact SD-CD1 3.7Å; R449-I453 WeakPolarHBondContact O-CG1 3.31Å; R449-I453 PolarHBondContact O-N 2.96Å; R449-I453 VanDerWaalsContact O-N 3.07Å; A450-I453 PolarHBondContact O-N 3.32Å; I453-N456 WeakPolarHBondContact O-CA 3.25Å; I453-N456 VanDerWaalsContact O-CB 3.25Å; I453-N456 WeakPolarHBondContact O-CB 3.36Å; I453-N456 PolarHBondContact O-N 3.3Å; I453-L457 HydrophobicContact CG2-CD1 4.33Å; I453-L457 HydrophobicContact CG2-CG 4.18Å; I453-L457 PolarHBondContact O-N 3.3Å; I453-L457 VanDerWaalsContact O-N 3.08Å; I453-D905 HydrophobicContact CG1-CB 4.29Å |
| 454 | M | 90.2 | Very high | 86 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53.4 | -43.8 | -178.5 | -172.6 | 64.5 | 134.6 | 0 | 0 | 113.8 | M418 N430 F434 A450 N456 L457 L458 | M418-M454 HydrophobicContact CE-SD 3.98Å; N430-M454 HydrophobicContact CB-CE 3.97Å; F434-M454 HydrophobicContact CD2-CE 4.21Å; F434-M454 HydrophobicContact CE2-CE 4.49Å; A450-M454 PolarHBondContact O-N 2.77Å; M454-N456 VanDerWaalsContact C-N 3.29Å; M454-N456 PolarHBondContact O-N 2.94Å; M454-L457 PolarHBondContact O-N 3.47Å; M454-L457 VanDerWaalsContact O-N 3.12Å; M454-L458 HydrophobicContact CG-CD1 4.3Å; M454-L458 WeakPolarHBondContact O-CG 3.26Å; M454-L458 PolarHBondContact O-N 3.41Å |
| 455 | P | 92.7 | Very high | 86.8 | Confident | 10 Ų | 10 | 28.3 Ų | 28.3 | 7% | 0.065 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -56.2 | -39.9 | 172.3 | -28 | 36.8 | 0 | 0 | 0 | 113.6 | R451 L458 A459 L470 I479 V487 | R451-P455 WeakPolarHBondContact O-CD 3.45Å; P455-L458 PolarHBondContact O-N 3.03Å; P455-A459 PolarHBondContact O-N 3.38Å; P455-L470 HydrophobicContact CB-CD1 4.22Å; P455-I479 HydrophobicContact CB-CD1 3.98Å; P455-I479 HydrophobicContact CG-CD1 3.75Å; P455-I479 HydrophobicContact CG-CG1 4.06Å; P455-V487 HydrophobicContact CB-CG1 4.18Å; P455-V487 HydrophobicContact CB-CG2 3.98Å; P455-V487 WeakPolarHBondContact O-CG1 3.31Å |
| 456 | N | 93.2 | Very high | 87.8 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.8 | -43.4 | 176 | -60.1 | 74.6 | 0 | 0 | 0 | 111 | F411 N452 I453 M454 Q460 K483 E906 A907 | F411-N456 HydrophobicContact CE2-CB 4.48Å; N452-N456 PolarHBondContact O-OD1 3.35Å; I453-N456 WeakPolarHBondContact O-CA 3.25Å; I453-N456 VanDerWaalsContact O-CB 3.25Å; I453-N456 WeakPolarHBondContact O-CB 3.36Å; I453-N456 PolarHBondContact O-N 3.3Å; M454-N456 VanDerWaalsContact C-N 3.29Å; M454-N456 PolarHBondContact O-N 2.94Å; N456-Q460 VanDerWaalsContact O-CB 3.26Å; N456-Q460 WeakPolarHBondContact O-CB 3.43Å; N456-Q460 WeakPolarHBondContact O-CG 3.28Å; N456-Q460 PolarHBondContact O-N 3.12Å; N456-K483 VanDerWaalsContact OD1-CE 3.31Å; N456-K483 WeakPolarHBondContact OD1-CE 3.07Å; N456-K483 PolarHBondContact OD1-NZ 2.82Å; N456-E906 PolarHBondContact ND2-OE2 2.87Å; N456-A907 HydrophobicContact CB-CB 4.44Å; N456-A907 WeakPolarHBondContact CB-O 3.42Å; N456-A907 PolarHBondContact ND2-N 3.22Å; N456-A907 VanDerWaalsContact ND2-N 3.18Å; N456-A907 PolarHBondContact ND2-O 2.95Å |
| 457 | L | 93.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 177.6 | -68.5 | 171.1 | 0 | 0 | 0 | 112.1 | I392 F411 A414 V415 M418 I453 M454 A459 Q460 A461 | I392-L457 HydrophobicContact CD1-CD1 3.61Å; I392-L457 HydrophobicContact CG1-CD1 3.8Å; F411-L457 HydrophobicContact CD2-CD2 3.62Å; F411-L457 HydrophobicContact CE2-CD2 3.58Å; F411-L457 HydrophobicContact CE2-CG 4.28Å; A414-L457 HydrophobicContact CB-CD1 4.25Å; A414-L457 HydrophobicContact CB-CD2 3.62Å; V415-L457 HydrophobicContact CG2-CD2 3.91Å; M418-L457 HydrophobicContact CE-CB 3.59Å; M418-L457 HydrophobicContact CE-CD1 4.4Å; M418-L457 VanDerWaalsContact SD-C 3.5Å; M418-L457 HydrophobicContact SD-CB 4.01Å; I453-L457 HydrophobicContact CG2-CD1 4.33Å; I453-L457 HydrophobicContact CG2-CG 4.18Å; I453-L457 PolarHBondContact O-N 3.3Å; I453-L457 VanDerWaalsContact O-N 3.08Å; M454-L457 PolarHBondContact O-N 3.47Å; M454-L457 VanDerWaalsContact O-N 3.12Å; L457-A459 PolarHBondContact O-N 3Å; L457-Q460 PolarHBondContact O-N 3.2Å; L457-A461 WeakPolarHBondContact O-CB 3.46Å; L457-A461 PolarHBondContact O-N 3.31Å |
| 458 | L | 94 | Very high | 89.4 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 178.2 | -69.2 | 168.6 | 0 | 0 | 0 | 111.7 | M418 I426 M454 P455 S466 Q469 L470 K473 | M418-L458 HydrophobicContact CE-CD2 4.44Å; M418-L458 HydrophobicContact SD-CD2 3.86Å; M418-L458 HydrophobicContact SD-CG 4.3Å; I426-L458 HydrophobicContact CG2-CD2 3.58Å; M454-L458 HydrophobicContact CG-CD1 4.3Å; M454-L458 WeakPolarHBondContact O-CG 3.26Å; M454-L458 PolarHBondContact O-N 3.41Å; P455-L458 PolarHBondContact O-N 3.03Å; L458-S466 WeakPolarHBondContact O-CB 3.26Å; L458-S466 PolarHBondContact O-OG 3.15Å; L458-Q469 HydrophobicContact CD2-CB 4.2Å; L458-L470 HydrophobicContact CB-CB 4.1Å; L458-L470 HydrophobicContact CD1-CB 4.36Å; L458-K473 HydrophobicContact CD1-CD 4.23Å |
| 459 | A | 93.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -65.8 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P455 L457 G462 L470 V487 M491 | P455-A459 PolarHBondContact O-N 3.38Å; L457-A459 PolarHBondContact O-N 3Å; A459-G462 PolarHBondContact O-N 3.35Å; A459-L470 HydrophobicContact CB-CD2 3.97Å; A459-V487 HydrophobicContact CB-CG1 3.37Å; A459-M491 HydrophobicContact CB-CG 3.61Å; A459-M491 HydrophobicContact CB-SD 4.23Å |
| 460 | Q | 93.2 | Very high | 90.7 | Very high | 11 Ų | 11 | 13 Ų | 13 | 5% | 0.051 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -80.4 | -21.6 | -175.3 | -65.4 | -63.2 | -63.5 | 0 | 0 | 113.5 | F411 V415 R419 N456 L457 G462 T490 | F411-Q460 HydrophobicContact CZ-CB 4.3Å; F411-Q460 HydrophobicContact CZ-CG 4.01Å; V415-Q460 HydrophobicContact CG1-CB 4.4Å; V415-Q460 VanDerWaalsContact CG1-O 3.28Å; V415-Q460 WeakPolarHBondContact CG1-O 3.14Å; V415-Q460 HydrophobicContact CG2-CB 3.76Å; R419-Q460 PolarHBondContact NH2-O 2.76Å; R419-Q460 VanDerWaalsContact NH2-O 3.09Å; N456-Q460 VanDerWaalsContact O-CB 3.26Å; N456-Q460 WeakPolarHBondContact O-CB 3.43Å; N456-Q460 WeakPolarHBondContact O-CG 3.28Å; N456-Q460 PolarHBondContact O-N 3.12Å; L457-Q460 PolarHBondContact O-N 3.2Å; Q460-G462 VanDerWaalsContact C-N 3.31Å; Q460-T490 PolarHBondContact NE2-O 2.73Å; Q460-T490 VanDerWaalsContact NE2-O 3.08Å; Q460-T490 PolarHBondContact NE2-OG1 2.96Å |
| 461 | A | 92 | Very high | 91.3 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.008 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -58 | -47.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | M418 R419 L457 | M418-A461 HydrophobicContact CB-CB 3.98Å; M418-A461 HydrophobicContact CG-CB 3.74Å; M418-A461 HydrophobicContact SD-CB 3.83Å; R419-A461 HydrophobicContact CG-CB 4.28Å; R419-A461 WeakPolarHBondContact CG-O 3.47Å; R419-A461 PolarHBondContact NE-O 2.77Å; L457-A461 WeakPolarHBondContact O-CB 3.46Å; L457-A461 PolarHBondContact O-N 3.31Å |
| 462 | G | 89.1 | Confident | 91.8 | Very high | 2 Ų | 2 | 11.5 Ų | 11.5 | 2% | 0.021 | 6% | 0.056 | C | C | . | . | trans | 67 | 36.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A459 Q460 T494 | A459-G462 PolarHBondContact O-N 3.35Å; Q460-G462 VanDerWaalsContact C-N 3.31Å; G462-T494 WeakPolarHBondContact O-CG2 3.28Å | ||
| 463 | T | 90.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.046 | C | C | . | . | trans | -110.3 | 159.1 | 173 | 65.3 | 0 | 0 | 0 | 0 | 110 | Y363 R419 S465 S466 F467 | Y363-T463 HydrophobicContact CD1-CG2 3.66Å; Y363-T463 HydrophobicContact CE1-CG2 4.41Å; Y363-T463 HydrophobicContact CG-CG2 4.02Å; Y363-T463 CarbonylContact O-C 3.54Å; Y363-T463 WeakPolarHBondContact O-CA 3.32Å; R419-T463 HydrophobicContact CB-CG2 4.23Å; R419-T463 HydrophobicContact CG-CG2 4.08Å; T463-S465 VanDerWaalsContact C-N 3.32Å; T463-S465 PolarHBondContact O-N 2.84Å; T463-S466 PolarHBondContact N-OG 3.28Å; T463-S466 PolarHBondContact O-N 3.18Å; T463-S466 PolarHBondContact O-OG 3.02Å; T463-S466 WeakPolarHBondContact OG1-CB 3.47Å; T463-S466 PolarHBondContact OG1-N 2.84Å; T463-S466 PolarHBondContact OG1-OG 2.88Å; T463-F467 WeakPolarHBondContact O-CB 3.22Å; T463-F467 PolarHBondContact O-N 3.36Å | ||
| 464 | L | 91 | Very high | 92.5 | Very high | 1 Ų | 1 | 10 Ų | 10 | 1% | 0.005 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 175.5 | -176.7 | 62.6 | 0 | 0 | 0 | 112.2 | Y363 E365 S466 F467 R468 E500 I501 | Y363-L464 PolarHBondContact O-N 3.08Å; E365-L464 WeakPolarHBondContact O-CD2 2.93Å; L464-S466 PolarHBondContact O-N 2.92Å; L464-F467 PolarHBondContact O-N 2.93Å; L464-R468 HydrophobicContact CD1-CG 4.44Å; L464-R468 PolarHBondContact O-N 3.09Å; L464-E500 HydrophobicContact CD1-CB 4.02Å; L464-E500 HydrophobicContact CD2-CB 3.72Å; L464-E500 HydrophobicContact CD2-CG 4.26Å; L464-I501 HydrophobicContact CB-CG1 4.03Å; L464-I501 HydrophobicContact CD1-CG1 3.83Å |
| 465 | S | 90.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.3 | -40 | 179.9 | -48.3 | 0 | 0 | 0 | 0 | 112.4 | G366 D367 T463 Q469 | G366-S465 WeakPolarHBondContact CA-OG 3.23Å; D367-S465 PolarHBondContact OD1-OG 3.11Å; T463-S465 VanDerWaalsContact C-N 3.32Å; T463-S465 PolarHBondContact O-N 2.84Å; S465-Q469 VanDerWaalsContact O-CG 3.31Å; S465-Q469 WeakPolarHBondContact O-CG 3.33Å; S465-Q469 PolarHBondContact O-N 3.31Å |
| 466 | S | 92.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.3 | -35.3 | 175.1 | 56 | 0 | 0 | 0 | 0 | 112.5 | L458 T463 L464 L470 | L458-S466 WeakPolarHBondContact O-CB 3.26Å; L458-S466 PolarHBondContact O-OG 3.15Å; T463-S466 PolarHBondContact N-OG 3.28Å; T463-S466 PolarHBondContact O-N 3.18Å; T463-S466 PolarHBondContact O-OG 3.02Å; T463-S466 WeakPolarHBondContact OG1-CB 3.47Å; T463-S466 PolarHBondContact OG1-N 2.84Å; T463-S466 PolarHBondContact OG1-OG 2.88Å; L464-S466 PolarHBondContact O-N 2.92Å; S466-L470 PolarHBondContact O-N 2.88Å |
| 467 | F | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.3 | -40.9 | 179 | -178.8 | -115.3 | 0 | 0 | 0 | 113.1 | T463 L464 Q469 L470 A471 M491 I501 E504 L505 L508 | T463-F467 WeakPolarHBondContact O-CB 3.22Å; T463-F467 PolarHBondContact O-N 3.36Å; L464-F467 PolarHBondContact O-N 2.93Å; F467-Q469 VanDerWaalsContact C-N 3.29Å; F467-Q469 PolarHBondContact O-N 3.19Å; F467-L470 HydrophobicContact CD2-CD2 4.29Å; F467-L470 CarbonylContact O-C 3.58Å; F467-L470 WeakPolarHBondContact O-CA 3.32Å; F467-L470 WeakPolarHBondContact O-CB 3.4Å; F467-L470 PolarHBondContact O-N 2.88Å; F467-L470 VanDerWaalsContact O-N 3.08Å; F467-A471 HydrophobicContact CZ-CB 4.4Å; F467-A471 WeakPolarHBondContact O-CB 3.31Å; F467-A471 PolarHBondContact O-N 2.94Å; F467-M491 HydrophobicContact CB-CE 4.03Å; F467-M491 HydrophobicContact CD2-CE 3.2Å; F467-M491 HydrophobicContact CD2-SD 3.59Å; F467-M491 VanDerWaalsContact CD2-SD 3.59Å; F467-M491 HydrophobicContact CE2-CE 3.86Å; F467-M491 HydrophobicContact CE2-SD 3.76Å; F467-M491 HydrophobicContact CG-CE 3.78Å; F467-I501 HydrophobicContact CD1-CG2 4.2Å; F467-E504 HydrophobicContact CD1-CB 4.02Å; F467-E504 HydrophobicContact CD1-CG 3.81Å; F467-E504 HydrophobicContact CE1-CB 3.76Å; F467-E504 HydrophobicContact CE1-CG 3.62Å; F467-L505 HydrophobicContact CE1-CB 3.9Å; F467-L505 HydrophobicContact CE2-CD1 4.08Å; F467-L505 HydrophobicContact CZ-CB 3.74Å; F467-L505 HydrophobicContact CZ-CD1 3.56Å; F467-L505 HydrophobicContact CZ-CG 4.23Å; F467-L508 HydrophobicContact CZ-CD2 4.39Å |
| 468 | R | 93.1 | Very high | 92.2 | Very high | 79 Ų | 79 | 24 Ų | 24 | 30% | 0.298 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -56.5 | -45.9 | 173.9 | -77.5 | 179.7 | 176.8 | 157.2 | 1.8 | 111.7 | E423 L464 L470 A471 D472 E504 | E423-R468 WeakPolarHBondContact OE2-CD 3.31Å; E423-R468 IonicContact OE2-NH1 3.88Å; L464-R468 HydrophobicContact CD1-CG 4.44Å; L464-R468 PolarHBondContact O-N 3.09Å; R468-L470 VanDerWaalsContact C-N 3.3Å; R468-L470 PolarHBondContact O-N 3.11Å; R468-A471 PolarHBondContact O-N 3.18Å; R468-A471 VanDerWaalsContact O-N 3.14Å; R468-D472 PolarHBondContact O-N 2.78Å; R468-E504 HydrophobicContact CG-CG 4.18Å |
| 469 | Q | 92.4 | Very high | 92 | Very high | 14 Ų | 14 | 24.8 Ų | 24.8 | 7% | 0.065 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.9 | -35.9 | 176.5 | -67.4 | -80.3 | 89.6 | 0 | 0 | 112.3 | E423 I426 L458 S465 F467 K473 | E423-Q469 HydrophobicContact CG-CG 3.92Å; I426-Q469 HydrophobicContact CG2-CB 4.28Å; I426-Q469 HydrophobicContact CG2-CG 4.06Å; L458-Q469 HydrophobicContact CD2-CB 4.2Å; S465-Q469 VanDerWaalsContact O-CG 3.31Å; S465-Q469 WeakPolarHBondContact O-CG 3.33Å; S465-Q469 PolarHBondContact O-N 3.31Å; F467-Q469 VanDerWaalsContact C-N 3.29Å; F467-Q469 PolarHBondContact O-N 3.19Å; Q469-K473 VanDerWaalsContact O-CG 3.23Å; Q469-K473 WeakPolarHBondContact O-CG 3.5Å; Q469-K473 PolarHBondContact O-N 2.87Å |
| 470 | L | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.9 | -45 | 172 | 179.7 | 63 | 0 | 0 | 0 | 111.6 | P455 L458 A459 S466 F467 R468 K473 I474 I479 V487 M491 | P455-L470 HydrophobicContact CB-CD1 4.22Å; L458-L470 HydrophobicContact CB-CB 4.1Å; L458-L470 HydrophobicContact CD1-CB 4.36Å; A459-L470 HydrophobicContact CB-CD2 3.97Å; S466-L470 PolarHBondContact O-N 2.88Å; F467-L470 HydrophobicContact CD2-CD2 4.29Å; F467-L470 CarbonylContact O-C 3.58Å; F467-L470 WeakPolarHBondContact O-CA 3.32Å; F467-L470 WeakPolarHBondContact O-CB 3.4Å; F467-L470 PolarHBondContact O-N 2.88Å; F467-L470 VanDerWaalsContact O-N 3.08Å; R468-L470 VanDerWaalsContact C-N 3.3Å; R468-L470 PolarHBondContact O-N 3.11Å; L470-K473 PolarHBondContact O-N 2.81Å; L470-I474 HydrophobicContact CD1-CD1 4.04Å; L470-I474 HydrophobicContact CD1-CG1 4.39Å; L470-I474 HydrophobicContact CG-CD1 3.93Å; L470-I474 VanDerWaalsContact O-CG1 3.29Å; L470-I474 WeakPolarHBondContact O-CG1 3.09Å; L470-I474 PolarHBondContact O-N 2.91Å; L470-I479 HydrophobicContact CD1-CD1 3.74Å; L470-V487 HydrophobicContact CD1-CG1 4.13Å; L470-V487 HydrophobicContact CD2-CG1 3.96Å; L470-M491 HydrophobicContact CD2-SD 4Å |
| 471 | A | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.3 | -44.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F467 R468 K473 I474 A475 L508 | F467-A471 HydrophobicContact CZ-CB 4.4Å; F467-A471 WeakPolarHBondContact O-CB 3.31Å; F467-A471 PolarHBondContact O-N 2.94Å; R468-A471 PolarHBondContact O-N 3.18Å; R468-A471 VanDerWaalsContact O-N 3.14Å; A471-K473 VanDerWaalsContact C-N 3.35Å; A471-K473 PolarHBondContact O-N 2.82Å; A471-I474 PolarHBondContact O-N 2.79Å; A471-A475 WeakPolarHBondContact O-CB 3.23Å; A471-A475 PolarHBondContact O-N 2.81Å; A471-L508 HydrophobicContact CB-CD1 4.26Å; A471-L508 HydrophobicContact CB-CD2 4Å; A471-L508 HydrophobicContact CB-CG 4.49Å; A471-L508 WeakPolarHBondContact O-CD1 3.36Å |
| 472 | D | 92.6 | Very high | 90.8 | Very high | 56 Ų | 56 | 36.4 Ų | 36.4 | 30% | 0.299 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.3 | -43.4 | 176.5 | -72.5 | -17.9 | 0 | 0 | 0 | 111.5 | R468 I474 A475 N476 R507 | R468-D472 PolarHBondContact O-N 2.78Å; D472-I474 VanDerWaalsContact C-N 3.31Å; D472-I474 PolarHBondContact O-N 2.8Å; D472-A475 PolarHBondContact O-N 2.79Å; D472-N476 VanDerWaalsContact O-CB 3.27Å; D472-N476 WeakPolarHBondContact O-CB 3.32Å; D472-N476 PolarHBondContact O-N 3.07Å; D472-N476 PolarHBondContact O-ND2 2.6Å; D472-R507 IonicContact OD1-NH2 2.63Å |
| 473 | K | 92.1 | Very high | 90.7 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 11% | 0.113 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.5 | -37.4 | 176 | -73.2 | -178.7 | 172.2 | -63.6 | 0 | 112.9 | N430 L458 Q469 L470 A471 G477 E478 I479 | N430-K473 PolarHBondContact ND2-NZ 2.79Å; L458-K473 HydrophobicContact CD1-CD 4.23Å; Q469-K473 VanDerWaalsContact O-CG 3.23Å; Q469-K473 WeakPolarHBondContact O-CG 3.5Å; Q469-K473 PolarHBondContact O-N 2.87Å; L470-K473 PolarHBondContact O-N 2.81Å; A471-K473 VanDerWaalsContact C-N 3.35Å; A471-K473 PolarHBondContact O-N 2.82Å; K473-G477 PolarHBondContact O-N 2.98Å; K473-E478 HydrophobicContact CB-CB 4.3Å; K473-E478 IonicContact NZ-OE2 3.43Å; K473-E478 PolarHBondContact NZ-OE2 2.89Å; K473-E478 WeakPolarHBondContact O-CB 3.48Å; K473-E478 PolarHBondContact O-N 3.03Å; K473-I479 HydrophobicContact CB-CD1 3.67Å; K473-I479 HydrophobicContact CB-CG1 4.12Å; K473-I479 HydrophobicContact CD-CD1 4.49Å |
| 474 | I | 94.5 | Very high | 90.8 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.5 | -46.8 | 176.7 | -67.3 | 173.2 | 0 | 0 | 0 | 110.3 | L470 A471 D472 N476 G477 I479 A484 I488 L508 T513 V514 L520 | L470-I474 HydrophobicContact CD1-CD1 4.04Å; L470-I474 HydrophobicContact CD1-CG1 4.39Å; L470-I474 HydrophobicContact CG-CD1 3.93Å; L470-I474 VanDerWaalsContact O-CG1 3.29Å; L470-I474 WeakPolarHBondContact O-CG1 3.09Å; L470-I474 PolarHBondContact O-N 2.91Å; A471-I474 PolarHBondContact O-N 2.79Å; D472-I474 VanDerWaalsContact C-N 3.31Å; D472-I474 PolarHBondContact O-N 2.8Å; I474-N476 VanDerWaalsContact C-N 3.3Å; I474-N476 PolarHBondContact O-N 3.2Å; I474-G477 PolarHBondContact O-N 2.58Å; I474-G477 VanDerWaalsContact O-N 3.11Å; I474-I479 HydrophobicContact CG1-CB 4.49Å; I474-I479 HydrophobicContact CG1-CD1 3.98Å; I474-A484 HydrophobicContact CD1-CB 3.87Å; I474-A484 HydrophobicContact CG1-CB 3.86Å; I474-A484 HydrophobicContact CG2-CB 4.27Å; I474-I488 HydrophobicContact CD1-CD1 3.68Å; I474-I488 HydrophobicContact CD1-CG1 4.03Å; I474-L508 HydrophobicContact CB-CD1 4.29Å; I474-L508 HydrophobicContact CB-CD2 4.46Å; I474-L508 HydrophobicContact CD1-CD2 4.3Å; I474-L508 HydrophobicContact CG2-CD1 4.12Å; I474-L508 HydrophobicContact CG2-CD2 4.35Å; I474-T513 WeakPolarHBondContact O-CG2 3.3Å; I474-V514 HydrophobicContact CG2-CG2 4.32Å; I474-L520 HydrophobicContact CG2-CD1 4.46Å; I474-L520 HydrophobicContact CG2-CD2 3.67Å |
| 475 | A | 93.5 | Very high | 90.7 | Very high | 25 Ų | 25 | 38.3 Ų | 38.3 | 21% | 0.207 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -39.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A471 D472 G477 L508 T513 | A471-A475 WeakPolarHBondContact O-CB 3.23Å; A471-A475 PolarHBondContact O-N 2.81Å; D472-A475 PolarHBondContact O-N 2.79Å; A475-G477 VanDerWaalsContact C-N 3.26Å; A475-G477 PolarHBondContact O-N 3.33Å; A475-L508 HydrophobicContact CB-CD1 4.15Å; A475-T513 WeakPolarHBondContact O-CB 3.38Å; A475-T513 PolarHBondContact O-OG1 2.94Å |
| 476 | N | 91.4 | Very high | 90.5 | Very high | 117 Ų | 117 | 41.6 Ų | 41.6 | 63% | 0.626 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -1.7 | 178.5 | -65.5 | -21 | 0 | 0 | 0 | 114.1 | D472 I474 E478 | D472-N476 VanDerWaalsContact O-CB 3.27Å; D472-N476 WeakPolarHBondContact O-CB 3.32Å; D472-N476 PolarHBondContact O-N 3.07Å; D472-N476 PolarHBondContact O-ND2 2.6Å; I474-N476 VanDerWaalsContact C-N 3.3Å; I474-N476 PolarHBondContact O-N 3.2Å; N476-E478 VanDerWaalsContact C-N 3.31Å; N476-E478 HydrophobicContact CB-CG 4.3Å; N476-E478 PolarHBondContact O-N 2.57Å |
| 477 | G | 89.1 | Confident | 90.4 | Very high | 49 Ų | 49 | 41.6 Ų | 41.6 | 51% | 0.505 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 20.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K473 I474 A475 I479 | K473-G477 PolarHBondContact O-N 2.98Å; I474-G477 PolarHBondContact O-N 2.58Å; I474-G477 VanDerWaalsContact O-N 3.11Å; A475-G477 VanDerWaalsContact C-N 3.26Å; A475-G477 PolarHBondContact O-N 3.33Å; G477-I479 VanDerWaalsContact C-N 3.26Å; G477-I479 PolarHBondContact O-N 3.07Å |
| 478 | E | 89.1 | Confident | 90.4 | Very high | 119 Ų | 119 | 41.6 Ų | 41.6 | 56% | 0.556 | 23% | 0.227 | S | C | * | . | trans | -73.3 | -19.7 | 176.8 | -65.3 | 179.4 | -150.4 | 0 | 0 | 112.7 | K473 N476 | K473-E478 HydrophobicContact CB-CB 4.3Å; K473-E478 IonicContact NZ-OE2 3.43Å; K473-E478 PolarHBondContact NZ-OE2 2.89Å; K473-E478 WeakPolarHBondContact O-CB 3.48Å; K473-E478 PolarHBondContact O-N 3.03Å; N476-E478 VanDerWaalsContact C-N 3.31Å; N476-E478 HydrophobicContact CB-CG 4.3Å; N476-E478 PolarHBondContact O-N 2.57Å | ||
| 479 | I | 88.9 | Confident | 90.2 | Very high | 18 Ų | 18 | 39.1 Ų | 39.1 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -115.3 | 131.5 | -179.9 | -58.1 | 169.6 | 0 | 0 | 0 | 108.9 | P455 L470 K473 I474 G477 K483 A484 | P455-I479 HydrophobicContact CB-CD1 3.98Å; P455-I479 HydrophobicContact CG-CD1 3.75Å; P455-I479 HydrophobicContact CG-CG1 4.06Å; L470-I479 HydrophobicContact CD1-CD1 3.74Å; K473-I479 HydrophobicContact CB-CD1 3.67Å; K473-I479 HydrophobicContact CB-CG1 4.12Å; K473-I479 HydrophobicContact CD-CD1 4.49Å; I474-I479 HydrophobicContact CG1-CB 4.49Å; I474-I479 HydrophobicContact CG1-CD1 3.98Å; G477-I479 VanDerWaalsContact C-N 3.26Å; G477-I479 PolarHBondContact O-N 3.07Å; I479-K483 HydrophobicContact CG2-CB 4.02Å; I479-K483 HydrophobicContact CG2-CG 3.86Å; I479-A484 HydrophobicContact CB-CB 4.48Å; I479-A484 HydrophobicContact CG2-CB 3.91Å |
| 480 | N | 85.5 | Confident | 90 | Very high | 108 Ų | 108 | 39.7 Ų | 39.7 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | trans | -54.3 | 132.2 | 174.3 | -178.9 | -65.9 | 0 | 0 | 0 | 110.1 | L482 K483 A484 | N480-L482 PolarHBondContact O-N 2.76Å; N480-L482 VanDerWaalsContact O-N 3.1Å; N480-L482 WeakPolarHBondContact OD1-CB 3.47Å; N480-L482 PolarHBondContact OD1-N 3.09Å; N480-K483 HydrophobicContact CB-CB 4.21Å; N480-K483 WeakPolarHBondContact O-CA 3.19Å; N480-K483 WeakPolarHBondContact O-CB 3.23Å; N480-K483 PolarHBondContact O-N 2.79Å; N480-A484 PolarHBondContact O-N 2.89Å | ||
| 481 | P | 87.3 | Confident | 89.9 | Confident | 41 Ų | 41 | 39.8 Ų | 39.8 | 27% | 0.266 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -56.1 | -32.5 | -174.7 | -28.9 | 35.1 | 0 | 0 | 0 | 115.5 | A485 N517 L520 | P481-A485 WeakPolarHBondContact O-CB 3.29Å; P481-A485 PolarHBondContact O-N 2.84Å; P481-N517 HydrophobicContact CB-CB 4.09Å; P481-N517 VanDerWaalsContact CB-CG 3.42Å; P481-N517 WeakPolarHBondContact CB-ND2 3.48Å; P481-L520 HydrophobicContact CB-CD2 4.47Å |
| 482 | L | 81.1 | Confident | 89.4 | Confident | 108 Ų | 108 | 40.1 Ų | 40.1 | 57% | 0.565 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -70.6 | -41.8 | 176.1 | -177.6 | 63 | 0 | 0 | 0 | 111.4 | N480 A485 I486 | N480-L482 PolarHBondContact O-N 2.76Å; N480-L482 VanDerWaalsContact O-N 3.1Å; N480-L482 WeakPolarHBondContact OD1-CB 3.47Å; N480-L482 PolarHBondContact OD1-N 3.09Å; L482-A485 PolarHBondContact O-N 3.05Å; L482-I486 HydrophobicContact CG-CD1 4.4Å; L482-I486 WeakPolarHBondContact O-CG1 3.29Å; L482-I486 PolarHBondContact O-N 2.71Å |
| 483 | K | 87.1 | Confident | 88.7 | Confident | 33 Ų | 33 | 38.2 Ų | 38.2 | 14% | 0.143 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 173.2 | 177.7 | 70.1 | 176 | -172.7 | 0 | 110.5 | N452 N456 I479 N480 A485 I486 V487 D905 E906 | N452-K483 VanDerWaalsContact O-CE 3.26Å; N452-K483 WeakPolarHBondContact O-CE 3.44Å; N452-K483 PolarHBondContact O-NZ 2.91Å; N456-K483 VanDerWaalsContact OD1-CE 3.31Å; N456-K483 WeakPolarHBondContact OD1-CE 3.07Å; N456-K483 PolarHBondContact OD1-NZ 2.82Å; I479-K483 HydrophobicContact CG2-CB 4.02Å; I479-K483 HydrophobicContact CG2-CG 3.86Å; N480-K483 HydrophobicContact CB-CB 4.21Å; N480-K483 WeakPolarHBondContact O-CA 3.19Å; N480-K483 WeakPolarHBondContact O-CB 3.23Å; N480-K483 PolarHBondContact O-N 2.79Å; K483-A485 VanDerWaalsContact C-N 3.33Å; K483-A485 PolarHBondContact O-N 2.82Å; K483-I486 PolarHBondContact O-N 2.77Å; K483-V487 HydrophobicContact CD-CG2 4.23Å; K483-V487 HydrophobicContact CG-CG2 4.4Å; K483-V487 WeakPolarHBondContact O-CB 3.49Å; K483-V487 VanDerWaalsContact O-CG2 3.24Å; K483-V487 WeakPolarHBondContact O-CG2 3.29Å; K483-V487 PolarHBondContact O-N 2.85Å; K483-D905 PolarHBondContact NZ-O 3.43Å; K483-D905 VanDerWaalsContact NZ-O 3.12Å; K483-E906 WeakPolarHBondContact CD-OE1 3.44Å; K483-E906 WeakPolarHBondContact CE-OE1 3.23Å; K483-E906 IonicContact NZ-OE1 3.78Å; K483-E906 PolarHBondContact NZ-OE1 2.97Å; K483-E906 IonicContact NZ-OE2 3Å; K483-E906 PolarHBondContact NZ-OE2 3.23Å |
| 484 | A | 92.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.4 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I474 I479 N480 V487 I488 L520 | I474-A484 HydrophobicContact CD1-CB 3.87Å; I474-A484 HydrophobicContact CG1-CB 3.86Å; I474-A484 HydrophobicContact CG2-CB 4.27Å; I479-A484 HydrophobicContact CB-CB 4.48Å; I479-A484 HydrophobicContact CG2-CB 3.91Å; N480-A484 PolarHBondContact O-N 2.89Å; A484-V487 PolarHBondContact O-N 2.79Å; A484-I488 WeakPolarHBondContact O-CB 3.47Å; A484-I488 WeakPolarHBondContact O-CG1 3.48Å; A484-I488 PolarHBondContact O-N 3.15Å; A484-L520 HydrophobicContact CB-CD1 3.64Å; A484-L520 HydrophobicContact CB-CD2 4.24Å |
| 485 | A | 89.4 | Confident | 87.2 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 7% | 0.074 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.6 | -48.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P481 L482 K483 V487 I488 T489 L520 A523 | P481-A485 WeakPolarHBondContact O-CB 3.29Å; P481-A485 PolarHBondContact O-N 2.84Å; L482-A485 PolarHBondContact O-N 3.05Å; K483-A485 VanDerWaalsContact C-N 3.33Å; K483-A485 PolarHBondContact O-N 2.82Å; A485-V487 PolarHBondContact O-N 2.81Å; A485-I488 PolarHBondContact O-N 3.26Å; A485-T489 VanDerWaalsContact O-CG2 3.3Å; A485-T489 WeakPolarHBondContact O-CG2 3.3Å; A485-T489 PolarHBondContact O-N 3.05Å; A485-T489 VanDerWaalsContact O-N 3.13Å; A485-L520 HydrophobicContact CB-CD1 4.32Å; A485-A523 HydrophobicContact CB-CB 3.86Å |
| 486 | I | 85.6 | Confident | 86.5 | Confident | 70 Ų | 70 | 38.7 Ų | 38.7 | 36% | 0.359 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.8 | -51.5 | 176.4 | -67.5 | 166.7 | 0 | 0 | 0 | 110.2 | L482 K483 I488 T489 T490 | L482-I486 HydrophobicContact CG-CD1 4.4Å; L482-I486 WeakPolarHBondContact O-CG1 3.29Å; L482-I486 PolarHBondContact O-N 2.71Å; K483-I486 PolarHBondContact O-N 2.77Å; I486-I488 PolarHBondContact O-N 2.86Å; I486-T489 PolarHBondContact O-N 3.37Å; I486-T489 PolarHBondContact O-OG1 2.9Å; I486-T490 WeakPolarHBondContact O-CG2 3.28Å; I486-T490 PolarHBondContact O-N 2.89Å |
| 487 | V | 91.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | -177.8 | 169.1 | 0 | 0 | 0 | 0 | 111.9 | P455 A459 L470 K483 A484 A485 T489 T490 | P455-V487 HydrophobicContact CB-CG1 4.18Å; P455-V487 HydrophobicContact CB-CG2 3.98Å; P455-V487 WeakPolarHBondContact O-CG1 3.31Å; A459-V487 HydrophobicContact CB-CG1 3.37Å; L470-V487 HydrophobicContact CD1-CG1 4.13Å; L470-V487 HydrophobicContact CD2-CG1 3.96Å; K483-V487 HydrophobicContact CD-CG2 4.23Å; K483-V487 HydrophobicContact CG-CG2 4.4Å; K483-V487 WeakPolarHBondContact O-CB 3.49Å; K483-V487 VanDerWaalsContact O-CG2 3.24Å; K483-V487 WeakPolarHBondContact O-CG2 3.29Å; K483-V487 PolarHBondContact O-N 2.85Å; A484-V487 PolarHBondContact O-N 2.79Å; A485-V487 PolarHBondContact O-N 2.81Å; V487-T489 VanDerWaalsContact C-N 3.34Å; V487-T489 PolarHBondContact O-N 3.49Å; V487-T490 PolarHBondContact O-N 3.15Å; V487-T490 VanDerWaalsContact O-N 3.15Å; V487-T490 PolarHBondContact O-OG1 3.35Å |
| 488 | I | 93.1 | Very high | 86 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -38 | 177.2 | -74.1 | -177.9 | 0 | 0 | 0 | 112.1 | I474 A484 A485 I486 T490 M491 L505 L508 L520 A523 I524 T527 | I474-I488 HydrophobicContact CD1-CD1 3.68Å; I474-I488 HydrophobicContact CD1-CG1 4.03Å; A484-I488 WeakPolarHBondContact O-CB 3.47Å; A484-I488 WeakPolarHBondContact O-CG1 3.48Å; A484-I488 PolarHBondContact O-N 3.15Å; A485-I488 PolarHBondContact O-N 3.26Å; I486-I488 PolarHBondContact O-N 2.86Å; I488-T490 PolarHBondContact O-N 2.73Å; I488-M491 WeakPolarHBondContact O-CB 3.34Å; I488-M491 PolarHBondContact O-N 2.76Å; I488-M491 VanDerWaalsContact O-N 3.15Å; I488-L505 HydrophobicContact CG2-CD1 4.36Å; I488-L508 HydrophobicContact CD1-CD2 4.06Å; I488-L520 HydrophobicContact CD1-CD1 3.88Å; I488-A523 HydrophobicContact CG2-CB 4.45Å; I488-I524 HydrophobicContact CD1-CD1 3.97Å; I488-I524 HydrophobicContact CD1-CG1 3.52Å; I488-I524 HydrophobicContact CG2-CG1 4.12Å; I488-T527 HydrophobicContact CG2-CG2 4.18Å; I488-T527 WeakPolarHBondContact O-CG2 3.42Å; I488-T527 PolarHBondContact O-OG1 2.97Å |
| 489 | T | 89.3 | Confident | 85.9 | Confident | 27 Ų | 27 | 31 Ų | 31 | 17% | 0.166 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -28 | 177.8 | 63.2 | 0 | 0 | 0 | 0 | 112.6 | A485 I486 V487 M491 M492 A523 T527 I864 | A485-T489 VanDerWaalsContact O-CG2 3.3Å; A485-T489 WeakPolarHBondContact O-CG2 3.3Å; A485-T489 PolarHBondContact O-N 3.05Å; A485-T489 VanDerWaalsContact O-N 3.13Å; I486-T489 PolarHBondContact O-N 3.37Å; I486-T489 PolarHBondContact O-OG1 2.9Å; V487-T489 VanDerWaalsContact C-N 3.34Å; V487-T489 PolarHBondContact O-N 3.49Å; T489-M491 PolarHBondContact O-N 2.86Å; T489-M492 WeakPolarHBondContact O-CG 3.44Å; T489-A523 HydrophobicContact CG2-CB 3.91Å; T489-T527 WeakPolarHBondContact CA-OG1 3.46Å; T489-I864 WeakPolarHBondContact CG2-O 3.17Å |
| 490 | T | 88.9 | Confident | 85.9 | Confident | 25 Ų | 25 | 32.8 Ų | 32.8 | 15% | 0.153 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -73.6 | -13.4 | 179.2 | 72.3 | 0 | 0 | 0 | 0 | 113.8 | Q460 I486 V487 I488 M492 | Q460-T490 PolarHBondContact NE2-O 2.73Å; Q460-T490 VanDerWaalsContact NE2-O 3.08Å; Q460-T490 PolarHBondContact NE2-OG1 2.96Å; I486-T490 WeakPolarHBondContact O-CG2 3.28Å; I486-T490 PolarHBondContact O-N 2.89Å; V487-T490 PolarHBondContact O-N 3.15Å; V487-T490 VanDerWaalsContact O-N 3.15Å; V487-T490 PolarHBondContact O-OG1 3.35Å; I488-T490 PolarHBondContact O-N 2.73Å; T490-M492 PolarHBondContact O-N 2.78Å |
| 491 | M | 90.7 | Very high | 86.2 | Confident | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -76.7 | -5 | 179.5 | -62.8 | -176.8 | 71.2 | 0 | 0 | 113.8 | A459 F467 L470 I488 T489 D493 T494 T527 M531 | A459-M491 HydrophobicContact CB-CG 3.61Å; A459-M491 HydrophobicContact CB-SD 4.23Å; F467-M491 HydrophobicContact CB-CE 4.03Å; F467-M491 HydrophobicContact CD2-CE 3.2Å; F467-M491 HydrophobicContact CD2-SD 3.59Å; F467-M491 VanDerWaalsContact CD2-SD 3.59Å; F467-M491 HydrophobicContact CE2-CE 3.86Å; F467-M491 HydrophobicContact CE2-SD 3.76Å; F467-M491 HydrophobicContact CG-CE 3.78Å; L470-M491 HydrophobicContact CD2-SD 4Å; I488-M491 WeakPolarHBondContact O-CB 3.34Å; I488-M491 PolarHBondContact O-N 2.76Å; I488-M491 VanDerWaalsContact O-N 3.15Å; T489-M491 PolarHBondContact O-N 2.86Å; M491-D493 PolarHBondContact O-N 2.81Å; M491-D493 VanDerWaalsContact O-N 3.15Å; M491-T494 VanDerWaalsContact O-CB 3.32Å; M491-T494 WeakPolarHBondContact O-CB 3.36Å; M491-T494 PolarHBondContact O-N 2.75Å; M491-T494 VanDerWaalsContact O-N 3.08Å; M491-T494 PolarHBondContact O-OG1 2.97Å; M491-T527 HydrophobicContact CB-CG2 4.13Å; M491-M531 HydrophobicContact CB-CE 3.49Å; M491-M531 VanDerWaalsContact CB-CE 3.49Å; M491-M531 HydrophobicContact CE-CE 3.82Å; M491-M531 WeakPolarHBondContact O-CE 3.42Å; M491-M531 HydrophobicContact SD-CE 4.44Å |
| 492 | M | 84.9 | Confident | 86.4 | Confident | 7 Ų | 7 | 26.2 Ų | 26.2 | 3% | 0.034 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -58 | -26.3 | 178 | 63.2 | 175.7 | -77.9 | 0 | 0 | 114.1 | F255 T489 T490 F859 Q862 I864 | F255-M492 HydrophobicContact CE2-CE 4.22Å; T489-M492 WeakPolarHBondContact O-CG 3.44Å; T490-M492 PolarHBondContact O-N 2.78Å; M492-F859 HydrophobicContact CE-CD1 4.3Å; M492-F859 HydrophobicContact SD-CD1 4.32Å; M492-Q862 HydrophobicContact CE-CB 3.62Å; M492-Q862 HydrophobicContact CE-CG 3.55Å; M492-Q862 HydrophobicContact SD-CB 4.43Å; M492-I864 HydrophobicContact SD-CG2 3.57Å; M492-I864 VanDerWaalsContact SD-CG2 3.57Å |
| 493 | D | 77.2 | Confident | 86.8 | Confident | 17 Ų | 17 | 25.5 Ų | 25.5 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -99.7 | 21 | 179.6 | -81.7 | -38.6 | 0 | 0 | 0 | 112.8 | N252 F255 M491 R860 | N252-D493 PolarHBondContact ND2-O 2.83Å; F255-D493 WeakPolarHBondContact CD2-OD1 3.23Å; F255-D493 WeakPolarHBondContact CE2-OD1 3.2Å; M491-D493 PolarHBondContact O-N 2.81Å; M491-D493 VanDerWaalsContact O-N 3.15Å; D493-R860 IonicContact OD1-NH1 2.68Å; D493-R860 PolarHBondContact OD1-NH1 3.14Å; D493-R860 IonicContact OD2-NH1 2.83Å; D493-R860 PolarHBondContact OD2-NH1 3.26Å |
| 494 | T | 82.7 | Confident | 87.1 | Confident | 5 Ų | 5 | 25.1 Ų | 25.1 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | trans | -53.3 | 126.2 | 176 | -68.7 | 0 | 0 | 0 | 0 | 111 | N252 G462 M491 R496 V497 | N252-T494 PolarHBondContact OD1-O 3.45Å; G462-T494 WeakPolarHBondContact O-CG2 3.28Å; M491-T494 VanDerWaalsContact O-CB 3.32Å; M491-T494 WeakPolarHBondContact O-CB 3.36Å; M491-T494 PolarHBondContact O-N 2.75Å; M491-T494 VanDerWaalsContact O-N 3.08Å; M491-T494 PolarHBondContact O-OG1 2.97Å; T494-R496 PolarHBondContact O-N 2.9Å; T494-R496 VanDerWaalsContact O-N 3.15Å; T494-V497 HydrophobicContact CG2-CG2 4.22Å | ||
| 495 | P | 73.6 | Confident | 87.1 | Confident | 14 Ų | 14 | 25.1 Ų | 25.1 | 9% | 0.091 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -55.3 | -36.3 | -174.8 | -25.2 | 31.3 | 0 | 0 | 0 | 114.3 | R419 | R419-P495 VanDerWaalsContact CZ-CG 3.44Š|
| 496 | R | 79.2 | Confident | 87.2 | Confident | 44 Ų | 44 | 25.8 Ų | 25.8 | 17% | 0.166 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -139.8 | 104.7 | -178.5 | -166.9 | 77.2 | 177.7 | 108.7 | 6 | 110.6 | D360 Y363 A364 T494 R564 | D360-R496 HydrophobicContact CB-CG 4.44Å; D360-R496 IonicContact OD2-NE 3.32Å; Y363-R496 HydrophobicContact CD2-CB 4.46Å; A364-R496 HydrophobicContact CB-CG 4.17Å; T494-R496 PolarHBondContact O-N 2.9Å; T494-R496 VanDerWaalsContact O-N 3.15Å; R496-R564 VanDerWaalsContact NH1-NH1 3.18Å; R496-R564 VanDerWaalsContact NH2-NE 3.12Å |
| 497 | V | 83.8 | Confident | 87.6 | Confident | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | trans | -90.9 | 135 | 173.3 | -179.5 | 0 | 0 | 0 | 0 | 109.7 | T494 I502 M531 T534 M535 | T494-V497 HydrophobicContact CG2-CG2 4.22Å; V497-I502 HydrophobicContact CG1-CD1 3.73Å; V497-I502 HydrophobicContact CG1-CG1 3.85Å; V497-M531 HydrophobicContact CG1-CB 3.71Å; V497-M531 HydrophobicContact CG1-CG 4.1Å; V497-M531 HydrophobicContact CG1-SD 4.44Å; V497-M531 HydrophobicContact CG2-CB 4.27Å; V497-M531 HydrophobicContact CG2-CG 3.99Å; V497-T534 HydrophobicContact CB-CG2 4.28Å; V497-T534 HydrophobicContact CG2-CG2 3.76Å; V497-M535 HydrophobicContact CB-CB 4.43Å; V497-M535 HydrophobicContact CG1-CB 4.19Å | ||
| 498 | S | 84.8 | Confident | 87.8 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 6% | 0.056 | 14% | 0.137 | C | C | . | . | trans | -123.1 | 166.4 | 178.9 | 69.4 | 0 | 0 | 0 | 0 | 112.1 | A364 E500 I501 I502 | A364-S498 WeakPolarHBondContact O-CB 3.44Å; A364-S498 PolarHBondContact O-OG 3.28Å; S498-E500 VanDerWaalsContact CB-OE2 3.29Å; S498-E500 WeakPolarHBondContact CB-OE2 3.4Å; S498-E500 PolarHBondContact O-N 3.33Å; S498-E500 PolarHBondContact OG-OE2 2.81Å; S498-I501 PolarHBondContact O-N 2.59Å; S498-I501 WeakPolarHBondContact OG-CG1 3.41Å; S498-I501 PolarHBondContact OG-N 2.61Å; S498-I502 WeakPolarHBondContact O-CG1 3.47Å; S498-I502 PolarHBondContact O-N 3.38Å | ||
| 499 | K | 87.8 | Confident | 87.8 | Confident | 111 Ų | 111 | 28.2 Ų | 28.2 | 48% | 0.483 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63.8 | -31.8 | 175.1 | 68.3 | -179.8 | -179.1 | -174 | 0 | 110.9 | T503 I569 | K499-T503 WeakPolarHBondContact O-CB 3.32Å; K499-T503 PolarHBondContact O-N 2.64Å; K499-T503 PolarHBondContact O-OG1 2.81Å; K499-I569 HydrophobicContact CB-CD1 4.49Å; K499-I569 HydrophobicContact CD-CD1 4.45Å |
| 500 | E | 88.3 | Confident | 87.9 | Confident | 56 Ų | 56 | 32.8 Ų | 32.8 | 26% | 0.262 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -66.2 | -47.2 | 178.8 | -65.9 | 68.2 | -150.7 | 0 | 0 | 111.2 | L464 S498 I502 T503 E504 | L464-E500 HydrophobicContact CD1-CB 4.02Å; L464-E500 HydrophobicContact CD2-CB 3.72Å; L464-E500 HydrophobicContact CD2-CG 4.26Å; S498-E500 VanDerWaalsContact CB-OE2 3.29Å; S498-E500 WeakPolarHBondContact CB-OE2 3.4Å; S498-E500 PolarHBondContact O-N 3.33Å; S498-E500 PolarHBondContact OG-OE2 2.81Å; E500-I502 VanDerWaalsContact C-N 3.33Å; E500-I502 PolarHBondContact O-N 3.13Å; E500-T503 PolarHBondContact O-N 3.29Å; E500-E504 WeakPolarHBondContact O-CB 3.35Å; E500-E504 PolarHBondContact O-N 2.72Å |
| 501 | I | 91.3 | Very high | 88 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 178.4 | -67.7 | 169.3 | 0 | 0 | 0 | 110.5 | L464 F467 S498 E504 L505 M531 | L464-I501 HydrophobicContact CB-CG1 4.03Å; L464-I501 HydrophobicContact CD1-CG1 3.83Å; F467-I501 HydrophobicContact CD1-CG2 4.2Å; S498-I501 PolarHBondContact O-N 2.59Å; S498-I501 WeakPolarHBondContact OG-CG1 3.41Å; S498-I501 PolarHBondContact OG-N 2.61Å; I501-E504 PolarHBondContact O-N 2.85Å; I501-L505 WeakPolarHBondContact O-CB 3.33Å; I501-L505 PolarHBondContact O-N 2.86Å; I501-M531 HydrophobicContact CG2-CE 4.16Å; I501-M531 HydrophobicContact CG2-SD 3.94Å |
| 502 | I | 91.3 | Very high | 88.1 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.9 | -41.6 | 178.6 | -62.9 | 178.1 | 0 | 0 | 0 | 110.7 | V497 S498 E500 E504 L505 M506 M531 M532 M535 F573 | V497-I502 HydrophobicContact CG1-CD1 3.73Å; V497-I502 HydrophobicContact CG1-CG1 3.85Å; S498-I502 WeakPolarHBondContact O-CG1 3.47Å; S498-I502 PolarHBondContact O-N 3.38Å; E500-I502 VanDerWaalsContact C-N 3.33Å; E500-I502 PolarHBondContact O-N 3.13Å; I502-E504 VanDerWaalsContact C-N 3.33Å; I502-E504 PolarHBondContact O-N 2.74Å; I502-L505 PolarHBondContact O-N 2.85Å; I502-M506 HydrophobicContact CG2-CG 4.43Å; I502-M506 VanDerWaalsContact O-CG 3.29Å; I502-M506 WeakPolarHBondContact O-CG 3.41Å; I502-M506 PolarHBondContact O-N 2.89Å; I502-M531 HydrophobicContact CD1-CB 4.1Å; I502-M531 HydrophobicContact CG1-CB 4.05Å; I502-M532 HydrophobicContact CD1-CG 3.9Å; I502-M532 HydrophobicContact CD1-SD 3.37Å; I502-M532 WeakPolarHBondContact CD1-SD 3.35Å; I502-M532 HydrophobicContact CG2-SD 4.18Å; I502-M535 HydrophobicContact CD1-CE 3.92Å; I502-M535 HydrophobicContact CD1-SD 4.02Å; I502-F573 HydrophobicContact CG2-CD2 4.49Å |
| 503 | T | 91.1 | Very high | 88.3 | Confident | 93 Ų | 93 | 41 Ų | 41 | 57% | 0.571 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -61 | -44.2 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | K499 E500 L505 M506 R507 | K499-T503 WeakPolarHBondContact O-CB 3.32Å; K499-T503 PolarHBondContact O-N 2.64Å; K499-T503 PolarHBondContact O-OG1 2.81Å; E500-T503 PolarHBondContact O-N 3.29Å; T503-L505 VanDerWaalsContact C-N 3.32Å; T503-L505 PolarHBondContact O-N 3.44Å; T503-M506 PolarHBondContact O-N 2.85Å; T503-R507 WeakPolarHBondContact O-CB 3.41Å; T503-R507 PolarHBondContact O-N 3.13Å |
| 504 | E | 92 | Very high | 88.9 | Confident | 25 Ų | 25 | 40.1 Ų | 40.1 | 12% | 0.117 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.8 | -35.9 | 177.5 | -172.7 | 62 | -170.5 | 0 | 0 | 112 | F467 R468 E500 I501 I502 R507 L508 | F467-E504 HydrophobicContact CD1-CB 4.02Å; F467-E504 HydrophobicContact CD1-CG 3.81Å; F467-E504 HydrophobicContact CE1-CB 3.76Å; F467-E504 HydrophobicContact CE1-CG 3.62Å; R468-E504 HydrophobicContact CG-CG 4.18Å; E500-E504 WeakPolarHBondContact O-CB 3.35Å; E500-E504 PolarHBondContact O-N 2.72Å; I501-E504 PolarHBondContact O-N 2.85Å; I502-E504 VanDerWaalsContact C-N 3.33Å; I502-E504 PolarHBondContact O-N 2.74Å; E504-R507 WeakPolarHBondContact O-CB 3.44Å; E504-R507 PolarHBondContact O-N 2.84Å; E504-R507 IonicContact OE1-CZ 2.98Å; E504-R507 VanDerWaalsContact OE1-CZ 3.32Å; E504-R507 IonicContact OE1-NE 3.76Å; E504-R507 PolarHBondContact OE1-NE 2.85Å; E504-R507 VanDerWaalsContact OE1-NE 3.17Å; E504-R507 IonicContact OE1-NH2 2.63Å; E504-R507 PolarHBondContact OE1-NH2 3.36Å; E504-R507 IonicContact OE2-CZ 2.64Å; E504-R507 IonicContact OE2-NE 2.86Å; E504-R507 PolarHBondContact OE2-NE 3.01Å; E504-R507 IonicContact OE2-NH2 3.65Å; E504-L508 WeakPolarHBondContact O-CB 3.32Å; E504-L508 PolarHBondContact O-N 3.39Å |
| 505 | L | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.1 | -38.8 | 176.4 | -177.9 | 62.9 | 0 | 0 | 0 | 111.4 | F467 I488 I501 I502 T503 L508 D509 I524 T527 A528 M531 | F467-L505 HydrophobicContact CE1-CB 3.9Å; F467-L505 HydrophobicContact CE2-CD1 4.08Å; F467-L505 HydrophobicContact CZ-CB 3.74Å; F467-L505 HydrophobicContact CZ-CD1 3.56Å; F467-L505 HydrophobicContact CZ-CG 4.23Å; I488-L505 HydrophobicContact CG2-CD1 4.36Å; I501-L505 WeakPolarHBondContact O-CB 3.33Å; I501-L505 PolarHBondContact O-N 2.86Å; I502-L505 PolarHBondContact O-N 2.85Å; T503-L505 VanDerWaalsContact C-N 3.32Å; T503-L505 PolarHBondContact O-N 3.44Å; L505-L508 PolarHBondContact O-N 2.87Å; L505-D509 PolarHBondContact O-N 2.94Å; L505-D509 VanDerWaalsContact O-N 3.1Å; L505-I524 HydrophobicContact CD1-CB 4.29Å; L505-I524 HydrophobicContact CD1-CG1 4Å; L505-I524 HydrophobicContact CD1-CG2 3.8Å; L505-I524 HydrophobicContact CG-CG2 3.94Å; L505-I524 WeakPolarHBondContact O-CG2 3.22Å; L505-T527 HydrophobicContact CD2-CG2 4Å; L505-A528 HydrophobicContact CD2-CB 3.81Å; L505-A528 HydrophobicContact CG-CB 4.45Å; L505-M531 HydrophobicContact CD2-SD 3.91Å |
| 506 | M | 92.2 | Very high | 90.1 | Very high | 23 Ų | 23 | 52 Ų | 52 | 11% | 0.113 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.8 | -35.5 | 173.6 | -65.5 | -59.6 | -66.6 | 0 | 0 | 112.1 | I502 T503 D509 E510 A528 F573 T576 I577 | I502-M506 HydrophobicContact CG2-CG 4.43Å; I502-M506 VanDerWaalsContact O-CG 3.29Å; I502-M506 WeakPolarHBondContact O-CG 3.41Å; I502-M506 PolarHBondContact O-N 2.89Å; T503-M506 PolarHBondContact O-N 2.85Å; M506-D509 VanDerWaalsContact O-CB 3.28Å; M506-D509 WeakPolarHBondContact O-CB 3.09Å; M506-D509 PolarHBondContact O-N 3.08Å; M506-E510 PolarHBondContact O-N 2.79Å; M506-A528 HydrophobicContact SD-CB 4.04Å; M506-F573 HydrophobicContact SD-CE2 4.45Å; M506-T576 HydrophobicContact CE-CG2 4.07Å; M506-I577 HydrophobicContact CE-CD1 4.49Å |
| 507 | R | 93.4 | Very high | 90.6 | Very high | 120 Ų | 120 | 52 Ų | 52 | 45% | 0.453 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 171.6 | -171 | -171.4 | 75.4 | 82.1 | -3.6 | 111.5 | D472 T503 E504 D509 E510 S511 | D472-R507 IonicContact OD1-NH2 2.63Å; T503-R507 WeakPolarHBondContact O-CB 3.41Å; T503-R507 PolarHBondContact O-N 3.13Å; E504-R507 WeakPolarHBondContact O-CB 3.44Å; E504-R507 PolarHBondContact O-N 2.84Å; E504-R507 IonicContact OE1-CZ 2.98Å; E504-R507 VanDerWaalsContact OE1-CZ 3.32Å; E504-R507 IonicContact OE1-NE 3.76Å; E504-R507 PolarHBondContact OE1-NE 2.85Å; E504-R507 VanDerWaalsContact OE1-NE 3.17Å; E504-R507 IonicContact OE1-NH2 2.63Å; E504-R507 PolarHBondContact OE1-NH2 3.36Å; E504-R507 IonicContact OE2-CZ 2.64Å; E504-R507 IonicContact OE2-NE 2.86Å; E504-R507 PolarHBondContact OE2-NE 3.01Å; E504-R507 IonicContact OE2-NH2 3.65Å; R507-D509 VanDerWaalsContact C-N 3.3Å; R507-D509 PolarHBondContact O-N 3.15Å; R507-E510 PolarHBondContact O-N 3.18Å; R507-S511 PolarHBondContact O-N 2.71Å |
| 508 | L | 94.6 | Very high | 90.7 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 176 | -179 | 62.1 | 0 | 0 | 0 | 111.5 | F467 A471 I474 A475 I488 E504 L505 E510 S511 V514 I524 | F467-L508 HydrophobicContact CZ-CD2 4.39Å; A471-L508 HydrophobicContact CB-CD1 4.26Å; A471-L508 HydrophobicContact CB-CD2 4Å; A471-L508 HydrophobicContact CB-CG 4.49Å; A471-L508 WeakPolarHBondContact O-CD1 3.36Å; I474-L508 HydrophobicContact CB-CD1 4.29Å; I474-L508 HydrophobicContact CB-CD2 4.46Å; I474-L508 HydrophobicContact CD1-CD2 4.3Å; I474-L508 HydrophobicContact CG2-CD1 4.12Å; I474-L508 HydrophobicContact CG2-CD2 4.35Å; A475-L508 HydrophobicContact CB-CD1 4.15Å; I488-L508 HydrophobicContact CD1-CD2 4.06Å; E504-L508 WeakPolarHBondContact O-CB 3.32Å; E504-L508 PolarHBondContact O-N 3.39Å; L505-L508 PolarHBondContact O-N 2.87Å; L508-E510 PolarHBondContact O-N 2.96Å; L508-S511 VanDerWaalsContact O-CB 3.26Å; L508-S511 WeakPolarHBondContact O-CB 3.45Å; L508-S511 PolarHBondContact O-N 2.79Å; L508-S511 PolarHBondContact O-OG 2.93Å; L508-V514 HydrophobicContact CD1-CG2 4.15Å; L508-V514 HydrophobicContact CG-CG2 4.1Å; L508-V514 WeakPolarHBondContact O-CB 3.5Å; L508-V514 VanDerWaalsContact O-CG2 3.25Å; L508-V514 WeakPolarHBondContact O-CG2 2.85Å; L508-I524 HydrophobicContact CD2-CD1 4.14Å; L508-I524 HydrophobicContact CG-CD1 4.09Å |
| 509 | D | 93.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.3 | -39.9 | 174.8 | -166.9 | 59.2 | 0 | 0 | 0 | 112.2 | L505 M506 R507 S511 Q515 R521 I524 R580 | L505-D509 PolarHBondContact O-N 2.94Å; L505-D509 VanDerWaalsContact O-N 3.1Å; M506-D509 VanDerWaalsContact O-CB 3.28Å; M506-D509 WeakPolarHBondContact O-CB 3.09Å; M506-D509 PolarHBondContact O-N 3.08Å; R507-D509 VanDerWaalsContact C-N 3.3Å; R507-D509 PolarHBondContact O-N 3.15Å; D509-S511 VanDerWaalsContact C-N 3.27Å; D509-S511 PolarHBondContact O-N 2.77Å; D509-Q515 PolarHBondContact O-NE2 3.48Å; D509-R521 VanDerWaalsContact OD1-CG 3.27Å; D509-R521 WeakPolarHBondContact OD1-CG 3.39Å; D509-I524 HydrophobicContact CB-CG2 3.71Å; D509-R580 IonicContact OD2-CZ 2.73Å; D509-R580 IonicContact OD2-NH1 3.83Å; D509-R580 PolarHBondContact OD2-NH1 2.92Å; D509-R580 IonicContact OD2-NH2 3.88Å |
| 510 | E | 90.8 | Very high | 90.8 | Very high | 123 Ų | 123 | 51.7 Ų | 51.7 | 58% | 0.575 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -10.2 | -178.5 | -66.3 | 175 | 177.8 | 0 | 0 | 113.6 | M506 R507 L508 R580 | M506-E510 PolarHBondContact O-N 2.79Å; R507-E510 PolarHBondContact O-N 3.18Å; L508-E510 PolarHBondContact O-N 2.96Å; E510-R580 IonicContact OE1-NH2 3.88Å; E510-R580 PolarHBondContact OE1-NH2 3.31Å |
| 511 | S | 92.7 | Very high | 91 | Very high | 24 Ų | 24 | 50.8 Ų | 50.8 | 17% | 0.168 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -64.2 | 145.8 | 178.8 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | R507 L508 D509 T513 V514 Q515 | R507-S511 PolarHBondContact O-N 2.71Å; L508-S511 VanDerWaalsContact O-CB 3.26Å; L508-S511 WeakPolarHBondContact O-CB 3.45Å; L508-S511 PolarHBondContact O-N 2.79Å; L508-S511 PolarHBondContact O-OG 2.93Å; D509-S511 VanDerWaalsContact C-N 3.27Å; D509-S511 PolarHBondContact O-N 2.77Å; S511-T513 PolarHBondContact O-N 2.97Å; S511-V514 PolarHBondContact O-N 2.94Å; S511-V514 VanDerWaalsContact O-N 3.13Å; S511-V514 VanDerWaalsContact OG-CG2 3.27Å; S511-V514 WeakPolarHBondContact OG-CG2 3.37Å; S511-V514 PolarHBondContact OG-N 2.83Å; S511-Q515 WeakPolarHBondContact O-CG 3.21Å; S511-Q515 PolarHBondContact O-N 2.86Å |
| 512 | Q | 91 | Very high | 91 | Very high | 135 Ų | 135 | 51.1 Ų | 51.1 | 63% | 0.631 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -58.7 | -35.8 | -177.8 | -167.9 | 178.8 | 39.1 | 0 | 0 | 112.6 | R516 | Q512-R516 VanDerWaalsContact CD-NH2 3.28Å; Q512-R516 VanDerWaalsContact O-CG 3.28Å; Q512-R516 WeakPolarHBondContact O-CG 3.33Å; Q512-R516 PolarHBondContact O-N 2.85Å |
| 513 | T | 89.5 | Confident | 91.1 | Very high | 46 Ų | 46 | 51 Ų | 51 | 28% | 0.282 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 178.4 | -57 | 0 | 0 | 0 | 0 | 111.8 | I474 A475 S511 | I474-T513 WeakPolarHBondContact O-CG2 3.3Å; A475-T513 WeakPolarHBondContact O-CB 3.38Å; A475-T513 PolarHBondContact O-OG1 2.94Å; S511-T513 PolarHBondContact O-N 2.97Å |
| 514 | V | 91.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72 | -43 | 177.8 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | I474 L508 S511 R516 N517 L520 R521 I524 | I474-V514 HydrophobicContact CG2-CG2 4.32Å; L508-V514 HydrophobicContact CD1-CG2 4.15Å; L508-V514 HydrophobicContact CG-CG2 4.1Å; L508-V514 WeakPolarHBondContact O-CB 3.5Å; L508-V514 VanDerWaalsContact O-CG2 3.25Å; L508-V514 WeakPolarHBondContact O-CG2 2.85Å; S511-V514 PolarHBondContact O-N 2.94Å; S511-V514 VanDerWaalsContact O-N 3.13Å; S511-V514 VanDerWaalsContact OG-CG2 3.27Å; S511-V514 WeakPolarHBondContact OG-CG2 3.37Å; S511-V514 PolarHBondContact OG-N 2.83Å; V514-R516 PolarHBondContact O-N 2.8Å; V514-R516 VanDerWaalsContact O-N 3.15Å; V514-N517 CarbonylContact O-C 3.51Å; V514-N517 PolarHBondContact O-N 2.84Å; V514-N517 VanDerWaalsContact O-O 3.09Å; V514-L520 HydrophobicContact CB-CD2 4.49Å; V514-L520 HydrophobicContact CG1-CG 4.33Å; V514-L520 HydrophobicContact CG2-CD2 3.74Å; V514-L520 HydrophobicContact CG2-CG 4.02Å; V514-R521 HydrophobicContact CG1-CB 4Å; V514-R521 HydrophobicContact CG1-CG 4.38Å; V514-I524 HydrophobicContact CB-CD1 4.3Å; V514-I524 HydrophobicContact CG1-CD1 3.57Å; V514-I524 HydrophobicContact CG2-CD1 3.71Å |
| 515 | Q | 90.2 | Very high | 91.4 | Very high | 80 Ų | 80 | 45.7 Ų | 45.7 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.8 | -26.5 | 178.8 | -70.4 | -61.9 | -28.5 | 0 | 0 | 113 | D509 S511 | D509-Q515 PolarHBondContact O-NE2 3.48Å; S511-Q515 WeakPolarHBondContact O-CG 3.21Å; S511-Q515 PolarHBondContact O-N 2.86Å |
| 516 | R | 90.8 | Very high | 91.5 | Very high | 188 Ų | 188 | 45.8 Ų | 45.8 | 71% | 0.709 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -16.1 | 173.6 | -71.7 | 173.9 | -178.1 | 179.3 | 3.7 | 114 | Q512 V514 | Q512-R516 VanDerWaalsContact CD-NH2 3.28Å; Q512-R516 VanDerWaalsContact O-CG 3.28Å; Q512-R516 WeakPolarHBondContact O-CG 3.33Å; Q512-R516 PolarHBondContact O-N 2.85Å; V514-R516 PolarHBondContact O-N 2.8Å; V514-R516 VanDerWaalsContact O-N 3.15Å |
| 517 | N | 90.2 | Very high | 91.6 | Very high | 45 Ų | 45 | 44.9 Ų | 44.9 | 24% | 0.241 | 20% | 0.204 | C | C | . | . | trans | -119.7 | 102.4 | -177.3 | -166.8 | -71.8 | 0 | 0 | 0 | 112.4 | P481 V514 Q519 L520 R521 | P481-N517 HydrophobicContact CB-CB 4.09Å; P481-N517 VanDerWaalsContact CB-CG 3.42Å; P481-N517 WeakPolarHBondContact CB-ND2 3.48Å; V514-N517 CarbonylContact O-C 3.51Å; V514-N517 PolarHBondContact O-N 2.84Å; V514-N517 VanDerWaalsContact O-O 3.09Å; N517-Q519 VanDerWaalsContact C-N 3.3Å; N517-Q519 PolarHBondContact O-N 2.64Å; N517-Q519 PolarHBondContact OD1-N 2.74Å; N517-L520 HydrophobicContact CB-CB 4.05Å; N517-L520 PolarHBondContact O-N 3.25Å; N517-L520 PolarHBondContact OD1-N 2.8Å; N517-R521 PolarHBondContact O-N 3.31Å | ||
| 518 | E | 85.9 | Confident | 91.7 | Very high | 60 Ų | 60 | 39.2 Ų | 39.2 | 28% | 0.28 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.9 | -35.4 | -176.6 | -63.5 | -168.1 | 163.1 | 0 | 0 | 114 | R522 R586 | E518-R522 WeakPolarHBondContact O-CB 3.44Å; E518-R522 WeakPolarHBondContact O-CD 3.26Å; E518-R522 WeakPolarHBondContact O-CG 3.42Å; E518-R522 PolarHBondContact O-N 2.82Å; E518-R522 IonicContact OE2-CZ 3.15Å; E518-R522 IonicContact OE2-NH2 2.89Å; E518-R522 PolarHBondContact OE2-NH2 3Å; E518-R586 IonicContact OE1-CZ 2.75Å; E518-R586 IonicContact OE1-NH1 3.91Å; E518-R586 IonicContact OE1-NH2 3.25Å; E518-R586 PolarHBondContact OE1-NH2 3.39Å |
| 519 | Q | 83.5 | Confident | 91.6 | Very high | 53 Ų | 53 | 39.1 Ų | 39.1 | 25% | 0.248 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.1 | -41.4 | -178.5 | -65.9 | -59.8 | -35.3 | 0 | 0 | 111.4 | N517 R522 A523 | N517-Q519 VanDerWaalsContact C-N 3.3Å; N517-Q519 PolarHBondContact O-N 2.64Å; N517-Q519 PolarHBondContact OD1-N 2.74Å; Q519-R522 PolarHBondContact O-N 2.74Å; Q519-A523 PolarHBondContact O-N 2.93Å |
| 520 | L | 90.6 | Very high | 91.6 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.9 | -44 | 176.6 | -176.2 | 55.8 | 0 | 0 | 0 | 111.6 | I474 P481 A484 A485 I488 V514 N517 R522 A523 I524 | I474-L520 HydrophobicContact CG2-CD1 4.46Å; I474-L520 HydrophobicContact CG2-CD2 3.67Å; P481-L520 HydrophobicContact CB-CD2 4.47Å; A484-L520 HydrophobicContact CB-CD1 3.64Å; A484-L520 HydrophobicContact CB-CD2 4.24Å; A485-L520 HydrophobicContact CB-CD1 4.32Å; I488-L520 HydrophobicContact CD1-CD1 3.88Å; V514-L520 HydrophobicContact CB-CD2 4.49Å; V514-L520 HydrophobicContact CG1-CG 4.33Å; V514-L520 HydrophobicContact CG2-CD2 3.74Å; V514-L520 HydrophobicContact CG2-CG 4.02Å; N517-L520 HydrophobicContact CB-CB 4.05Å; N517-L520 PolarHBondContact O-N 3.25Å; N517-L520 PolarHBondContact OD1-N 2.8Å; L520-R522 VanDerWaalsContact C-N 3.35Å; L520-R522 PolarHBondContact O-N 3.16Å; L520-A523 PolarHBondContact O-N 2.79Å; L520-I524 HydrophobicContact CD1-CD1 4.2Å; L520-I524 HydrophobicContact CG-CD1 4.08Å; L520-I524 WeakPolarHBondContact O-CG1 3.44Å; L520-I524 PolarHBondContact O-N 2.79Å |
| 521 | R | 92.8 | Very high | 91.7 | Very high | 37 Ų | 37 | 33.3 Ų | 33.3 | 14% | 0.14 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57 | -45.9 | 173.9 | -166.7 | 176.4 | 71.3 | 179.6 | 4.3 | 112.1 | D509 V514 N517 I524 L525 D589 | D509-R521 VanDerWaalsContact OD1-CG 3.27Å; D509-R521 WeakPolarHBondContact OD1-CG 3.39Å; V514-R521 HydrophobicContact CG1-CB 4Å; V514-R521 HydrophobicContact CG1-CG 4.38Å; N517-R521 PolarHBondContact O-N 3.31Å; R521-I524 PolarHBondContact O-N 3.37Å; R521-L525 HydrophobicContact CG-CD1 4.42Å; R521-L525 WeakPolarHBondContact O-CG 3.27Å; R521-L525 PolarHBondContact O-N 3.06Å; R521-L525 VanDerWaalsContact O-N 3.08Å; R521-D589 IonicContact CZ-OD1 3.1Å; R521-D589 VanDerWaalsContact NH2-CG 3.31Å; R521-D589 IonicContact NH2-OD1 3.23Å; R521-D589 PolarHBondContact NH2-OD1 3.1Å; R521-D589 IonicContact NH2-OD2 3.93Å; R521-D589 PolarHBondContact NH2-OD2 3.23Å |
| 522 | R | 91.7 | Very high | 91.6 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 3% | 0.03 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.1 | -44.3 | 176.8 | -69.6 | 164.7 | -162.1 | -154.3 | 4 | 111.9 | E518 Q519 L520 I524 L525 L526 I592 L866 T868 | E518-R522 WeakPolarHBondContact O-CB 3.44Å; E518-R522 WeakPolarHBondContact O-CD 3.26Å; E518-R522 WeakPolarHBondContact O-CG 3.42Å; E518-R522 PolarHBondContact O-N 2.82Å; E518-R522 IonicContact OE2-CZ 3.15Å; E518-R522 IonicContact OE2-NH2 2.89Å; E518-R522 PolarHBondContact OE2-NH2 3Å; Q519-R522 PolarHBondContact O-N 2.74Å; L520-R522 VanDerWaalsContact C-N 3.35Å; L520-R522 PolarHBondContact O-N 3.16Å; R522-I524 VanDerWaalsContact C-N 3.35Å; R522-I524 PolarHBondContact O-N 2.95Å; R522-L525 PolarHBondContact O-N 3.47Å; R522-L526 WeakPolarHBondContact O-CG 3.41Å; R522-L526 PolarHBondContact O-N 3.49Å; R522-I592 HydrophobicContact CB-CD1 3.83Å; R522-I592 HydrophobicContact CB-CG1 4.21Å; R522-I592 HydrophobicContact CG-CD1 3.98Å; R522-I592 HydrophobicContact CG-CG1 3.99Å; R522-L866 PolarHBondContact NH1-O 2.83Å; R522-L866 VanDerWaalsContact NH1-O 3.1Å; R522-T868 PolarHBondContact NH1-OG1 2.84Å; R522-T868 PolarHBondContact NH2-OG1 3.3Å |
| 523 | A | 92.3 | Very high | 91.6 | Very high | 7 Ų | 7 | 27.5 Ų | 27.5 | 6% | 0.058 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A485 I488 T489 Q519 L520 L526 T527 | A485-A523 HydrophobicContact CB-CB 3.86Å; I488-A523 HydrophobicContact CG2-CB 4.45Å; T489-A523 HydrophobicContact CG2-CB 3.91Å; Q519-A523 PolarHBondContact O-N 2.93Å; L520-A523 PolarHBondContact O-N 2.79Å; A523-L526 PolarHBondContact O-N 3.38Å; A523-T527 WeakPolarHBondContact O-CB 3.34Å; A523-T527 PolarHBondContact O-N 2.82Å; A523-T527 PolarHBondContact O-OG1 3.39Å; A523-T527 VanDerWaalsContact O-OG1 3.12Å |
| 524 | I | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.5 | -50.3 | 177.8 | -74.7 | 162.2 | 0 | 0 | 0 | 111.6 | I488 L505 L508 D509 V514 L520 R521 R522 L526 T527 A528 | I488-I524 HydrophobicContact CD1-CD1 3.97Å; I488-I524 HydrophobicContact CD1-CG1 3.52Å; I488-I524 HydrophobicContact CG2-CG1 4.12Å; L505-I524 HydrophobicContact CD1-CB 4.29Å; L505-I524 HydrophobicContact CD1-CG1 4Å; L505-I524 HydrophobicContact CD1-CG2 3.8Å; L505-I524 HydrophobicContact CG-CG2 3.94Å; L505-I524 WeakPolarHBondContact O-CG2 3.22Å; L508-I524 HydrophobicContact CD2-CD1 4.14Å; L508-I524 HydrophobicContact CG-CD1 4.09Å; D509-I524 HydrophobicContact CB-CG2 3.71Å; V514-I524 HydrophobicContact CB-CD1 4.3Å; V514-I524 HydrophobicContact CG1-CD1 3.57Å; V514-I524 HydrophobicContact CG2-CD1 3.71Å; L520-I524 HydrophobicContact CD1-CD1 4.2Å; L520-I524 HydrophobicContact CG-CD1 4.08Å; L520-I524 WeakPolarHBondContact O-CG1 3.44Å; L520-I524 PolarHBondContact O-N 2.79Å; R521-I524 PolarHBondContact O-N 3.37Å; R522-I524 VanDerWaalsContact C-N 3.35Å; R522-I524 PolarHBondContact O-N 2.95Å; I524-L526 PolarHBondContact O-N 2.82Å; I524-T527 PolarHBondContact O-N 2.91Å; I524-A528 WeakPolarHBondContact O-CB 3.3Å; I524-A528 PolarHBondContact O-N 3.39Å |
| 525 | L | 94.4 | Very high | 91.1 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 4% | 0.037 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | -180 | -69.4 | 170.7 | 0 | 0 | 0 | 112.7 | R521 R522 G529 I577 I592 L593 A596 | R521-L525 HydrophobicContact CG-CD1 4.42Å; R521-L525 WeakPolarHBondContact O-CG 3.27Å; R521-L525 PolarHBondContact O-N 3.06Å; R521-L525 VanDerWaalsContact O-N 3.08Å; R522-L525 PolarHBondContact O-N 3.47Å; L525-G529 PolarHBondContact O-N 3.43Å; L525-G529 VanDerWaalsContact O-N 3.09Å; L525-I577 HydrophobicContact CD2-CD1 4.23Å; L525-I592 HydrophobicContact CB-CG1 4.29Å; L525-I592 HydrophobicContact CD1-CG1 4.08Å; L525-I592 HydrophobicContact CD1-CG2 4.31Å; L525-L593 HydrophobicContact CD1-CD2 4.25Å; L525-L593 HydrophobicContact CD2-CD2 4.49Å; L525-A596 HydrophobicContact CB-CB 4.42Å; L525-A596 WeakPolarHBondContact O-CB 3.25Å |
| 526 | L | 94.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.8 | -44.8 | 177.5 | -70.7 | 176.4 | 0 | 0 | 0 | 111.8 | R522 A523 I524 G529 S530 I592 R595 N599 D863 | R522-L526 WeakPolarHBondContact O-CG 3.41Å; R522-L526 PolarHBondContact O-N 3.49Å; A523-L526 PolarHBondContact O-N 3.38Å; I524-L526 PolarHBondContact O-N 2.82Å; L526-G529 PolarHBondContact O-N 3.34Å; L526-S530 PolarHBondContact O-N 3.45Å; L526-S530 PolarHBondContact O-OG 3.2Å; L526-I592 HydrophobicContact CD1-CD1 3.94Å; L526-I592 HydrophobicContact CD2-CD1 3.76Å; L526-I592 HydrophobicContact CG-CD1 3.59Å; L526-R595 HydrophobicContact CD2-CB 3.87Å; L526-N599 PolarHBondContact O-ND2 2.92Å; L526-D863 HydrophobicContact CD1-CB 4.42Å; L526-D863 HydrophobicContact CD2-CB 3.9Å |
| 527 | T | 95 | Very high | 89.9 | Confident | 4 Ų | 4 | 16.7 Ų | 16.7 | 3% | 0.025 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64 | -41.5 | 177.2 | -67 | 0 | 0 | 0 | 0 | 111.2 | I488 T489 M491 L505 A523 I524 G529 S530 M531 | I488-T527 HydrophobicContact CG2-CG2 4.18Å; I488-T527 WeakPolarHBondContact O-CG2 3.42Å; I488-T527 PolarHBondContact O-OG1 2.97Å; T489-T527 WeakPolarHBondContact CA-OG1 3.46Å; M491-T527 HydrophobicContact CB-CG2 4.13Å; L505-T527 HydrophobicContact CD2-CG2 4Å; A523-T527 WeakPolarHBondContact O-CB 3.34Å; A523-T527 PolarHBondContact O-N 2.82Å; A523-T527 PolarHBondContact O-OG1 3.39Å; A523-T527 VanDerWaalsContact O-OG1 3.12Å; I524-T527 PolarHBondContact O-N 2.91Å; T527-G529 VanDerWaalsContact C-N 3.32Å; T527-G529 PolarHBondContact O-N 3.37Å; T527-S530 PolarHBondContact O-N 3.11Å; T527-S530 VanDerWaalsContact O-N 3.14Å; T527-M531 HydrophobicContact CG2-CE 3.88Å; T527-M531 HydrophobicContact CG2-CG 4.26Å; T527-M531 HydrophobicContact CG2-SD 4.16Å; T527-M531 WeakPolarHBondContact O-CB 3.21Å; T527-M531 WeakPolarHBondContact O-CG 3.47Å; T527-M531 PolarHBondContact O-N 3.39Å |
| 528 | A | 94.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -59.3 | -43.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L505 M506 I524 M531 M532 F573 | L505-A528 HydrophobicContact CD2-CB 3.81Å; L505-A528 HydrophobicContact CG-CB 4.45Å; M506-A528 HydrophobicContact SD-CB 4.04Å; I524-A528 WeakPolarHBondContact O-CB 3.3Å; I524-A528 PolarHBondContact O-N 3.39Å; A528-M531 PolarHBondContact O-N 2.9Å; A528-M532 WeakPolarHBondContact O-CG 3.28Å; A528-M532 PolarHBondContact O-N 2.72Å; A528-F573 HydrophobicContact CB-CE2 4.25Å |
| 529 | G | 93.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.2 | -49.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L525 L526 T527 M531 M532 R533 N599 A600 | L525-G529 PolarHBondContact O-N 3.43Å; L525-G529 VanDerWaalsContact O-N 3.09Å; L526-G529 PolarHBondContact O-N 3.34Å; T527-G529 VanDerWaalsContact C-N 3.32Å; T527-G529 PolarHBondContact O-N 3.37Å; G529-M531 VanDerWaalsContact C-N 3.34Å; G529-M531 PolarHBondContact O-N 3.14Å; G529-M532 PolarHBondContact O-N 3.17Å; G529-R533 PolarHBondContact O-N 2.82Å; G529-N599 CarbonylContact O-C 3.56Å; G529-A600 WeakPolarHBondContact O-CA 3.11Å; G529-A600 PolarHBondContact O-N 3.35Å |
| 530 | S | 93.3 | Very high | 85.3 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 179.6 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | L526 T527 R533 T534 N599 Q862 | L526-S530 PolarHBondContact O-N 3.45Å; L526-S530 PolarHBondContact O-OG 3.2Å; T527-S530 PolarHBondContact O-N 3.11Å; T527-S530 VanDerWaalsContact O-N 3.14Å; S530-R533 WeakPolarHBondContact O-CB 3.37Å; S530-R533 PolarHBondContact O-N 3.31Å; S530-T534 PolarHBondContact O-N 3.36Å; S530-T534 VanDerWaalsContact O-N 3.1Å; S530-T534 PolarHBondContact O-OG1 3.39Å; S530-N599 PolarHBondContact OG-ND2 2.66Å; S530-Q862 PolarHBondContact OG-OE1 2.87Å |
| 531 | M | 91.8 | Very high | 83.2 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.1 | -43.2 | 175.2 | -81.3 | -173.1 | 175.2 | 0 | 0 | 112.1 | M491 V497 I501 I502 L505 T527 A528 G529 R533 T534 M535 | M491-M531 HydrophobicContact CB-CE 3.49Å; M491-M531 VanDerWaalsContact CB-CE 3.49Å; M491-M531 HydrophobicContact CE-CE 3.82Å; M491-M531 WeakPolarHBondContact O-CE 3.42Å; M491-M531 HydrophobicContact SD-CE 4.44Å; V497-M531 HydrophobicContact CG1-CB 3.71Å; V497-M531 HydrophobicContact CG1-CG 4.1Å; V497-M531 HydrophobicContact CG1-SD 4.44Å; V497-M531 HydrophobicContact CG2-CB 4.27Å; V497-M531 HydrophobicContact CG2-CG 3.99Å; I501-M531 HydrophobicContact CG2-CE 4.16Å; I501-M531 HydrophobicContact CG2-SD 3.94Å; I502-M531 HydrophobicContact CD1-CB 4.1Å; I502-M531 HydrophobicContact CG1-CB 4.05Å; L505-M531 HydrophobicContact CD2-SD 3.91Å; T527-M531 HydrophobicContact CG2-CE 3.88Å; T527-M531 HydrophobicContact CG2-CG 4.26Å; T527-M531 HydrophobicContact CG2-SD 4.16Å; T527-M531 WeakPolarHBondContact O-CB 3.21Å; T527-M531 WeakPolarHBondContact O-CG 3.47Å; T527-M531 PolarHBondContact O-N 3.39Å; A528-M531 PolarHBondContact O-N 2.9Å; G529-M531 VanDerWaalsContact C-N 3.34Å; G529-M531 PolarHBondContact O-N 3.14Å; M531-R533 VanDerWaalsContact C-N 3.28Å; M531-R533 PolarHBondContact O-N 3.36Å; M531-T534 WeakPolarHBondContact O-CB 3.37Å; M531-T534 PolarHBondContact O-N 2.93Å; M531-T534 VanDerWaalsContact O-N 3.09Å; M531-M535 PolarHBondContact O-N 2.69Å |
| 532 | M | 91.6 | Very high | 80.8 | Confident | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.2 | -41.1 | 173.3 | -79.6 | -59.3 | -62.4 | 0 | 0 | 111.8 | I502 A528 G529 M535 C536 I569 F573 A600 L602 | I502-M532 HydrophobicContact CD1-CG 3.9Å; I502-M532 HydrophobicContact CD1-SD 3.37Å; I502-M532 WeakPolarHBondContact CD1-SD 3.35Å; I502-M532 HydrophobicContact CG2-SD 4.18Å; A528-M532 WeakPolarHBondContact O-CG 3.28Å; A528-M532 PolarHBondContact O-N 2.72Å; G529-M532 PolarHBondContact O-N 3.17Å; M532-M535 HydrophobicContact CE-CE 3.86Å; M532-M535 PolarHBondContact O-N 3.28Å; M532-M535 HydrophobicContact SD-CE 3.55Å; M532-M535 VanDerWaalsContact SD-CE 3.55Å; M532-C536 WeakPolarHBondContact O-CB 3.33Å; M532-C536 PolarHBondContact O-N 3.02Å; M532-C536 PolarHBondContact O-SG 3.45Å; M532-I569 HydrophobicContact CE-CG2 4.18Å; M532-F573 HydrophobicContact CB-CE1 4.44Å; M532-F573 HydrophobicContact CE-CB 3.88Å; M532-F573 HydrophobicContact CE-CD1 4.42Å; M532-F573 HydrophobicContact CE-CG 4.05Å; M532-F573 HydrophobicContact CG-CD1 3.88Å; M532-F573 HydrophobicContact CG-CD2 3.59Å; M532-F573 HydrophobicContact CG-CE1 3.88Å; M532-F573 HydrophobicContact CG-CE2 3.6Å; M532-F573 HydrophobicContact CG-CG 3.73Å; M532-F573 HydrophobicContact CG-CZ 3.75Å; M532-F573 HydrophobicContact SD-CB 4.28Å; M532-F573 HydrophobicContact SD-CD2 4Å; M532-F573 HydrophobicContact SD-CG 4.05Å; M532-A600 HydrophobicContact CB-CB 3.99Å; M532-L602 HydrophobicContact CE-CD1 3.75Å; M532-L602 HydrophobicContact CE-CD2 4.43Å |
| 533 | R | 89.7 | Confident | 78.3 | Confident | 35 Ų | 35 | 33 Ų | 33 | 13% | 0.132 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 173.8 | -177.4 | 174.3 | 169.5 | 98.9 | -8.5 | 111.8 | F255 G529 S530 M531 M535 C536 A537 N599 A600 H634 D637 | F255-R533 HydrophobicContact CE1-CG 4.4Å; G529-R533 PolarHBondContact O-N 2.82Å; S530-R533 WeakPolarHBondContact O-CB 3.37Å; S530-R533 PolarHBondContact O-N 3.31Å; M531-R533 VanDerWaalsContact C-N 3.28Å; M531-R533 PolarHBondContact O-N 3.36Å; R533-M535 VanDerWaalsContact C-N 3.3Å; R533-M535 PolarHBondContact O-N 2.86Å; R533-C536 PolarHBondContact O-N 2.76Å; R533-A537 WeakPolarHBondContact O-CB 3.43Å; R533-A537 PolarHBondContact O-N 2.93Å; R533-N599 WeakPolarHBondContact CB-O 3.32Å; R533-A600 WeakPolarHBondContact CB-O 3.31Å; R533-H634 VanDerWaalsContact CZ-ND1 3.27Å; R533-H634 PolarHBondContact NH1-ND1 2.86Å; R533-H634 VanDerWaalsContact NH1-ND1 3.19Å; R533-D637 IonicContact NH2-OD2 2.71Å; R533-D637 PolarHBondContact NH2-OD2 3.23Å |
| 534 | T | 84.7 | Confident | 75.7 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 13% | 0.129 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.8 | -41.3 | 178 | -64 | 0 | 0 | 0 | 0 | 111.9 | Q254 F255 V497 S530 M531 | Q254-T534 HydrophobicContact CG-CG2 4.32Å; Q254-T534 PolarHBondContact NE2-OG1 2.96Å; Q254-T534 VanDerWaalsContact NE2-OG1 3.14Å; F255-T534 WeakPolarHBondContact CZ-OG1 3.29Å; V497-T534 HydrophobicContact CB-CG2 4.28Å; V497-T534 HydrophobicContact CG2-CG2 3.76Å; S530-T534 PolarHBondContact O-N 3.36Å; S530-T534 VanDerWaalsContact O-N 3.1Å; S530-T534 PolarHBondContact O-OG1 3.39Å; M531-T534 WeakPolarHBondContact O-CB 3.37Å; M531-T534 PolarHBondContact O-N 2.93Å; M531-T534 VanDerWaalsContact O-N 3.09Å |
| 535 | M | 85.5 | Confident | 72.9 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 5% | 0.054 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.3 | -36.1 | 179.6 | -169.3 | 177.7 | 69 | 0 | 0 | 112.9 | V497 I502 M531 M532 R533 R564 C565 I569 | V497-M535 HydrophobicContact CB-CB 4.43Å; V497-M535 HydrophobicContact CG1-CB 4.19Å; I502-M535 HydrophobicContact CD1-CE 3.92Å; I502-M535 HydrophobicContact CD1-SD 4.02Å; M531-M535 PolarHBondContact O-N 2.69Å; M532-M535 HydrophobicContact CE-CE 3.86Å; M532-M535 PolarHBondContact O-N 3.28Å; M532-M535 HydrophobicContact SD-CE 3.55Å; M532-M535 VanDerWaalsContact SD-CE 3.55Å; R533-M535 VanDerWaalsContact C-N 3.3Å; R533-M535 PolarHBondContact O-N 2.86Å; M535-R564 WeakPolarHBondContact CG-O 3.37Å; M535-C565 HydrophobicContact CE-CB 4.37Å; M535-C565 HydrophobicContact CG-CB 4.34Å; M535-I569 HydrophobicContact CE-CG2 3.59Å |
| 536 | C | 84.7 | Confident | 70.2 | Confident | 28 Ų | 28 | 48.8 Ų | 48.8 | 19% | 0.189 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -100.1 | -6.3 | -174.1 | -55.2 | 0 | 0 | 0 | 0 | 115 | M532 R533 C565 L602 | M532-C536 WeakPolarHBondContact O-CB 3.33Å; M532-C536 PolarHBondContact O-N 3.02Å; M532-C536 PolarHBondContact O-SG 3.45Å; R533-C536 PolarHBondContact O-N 2.76Å; C536-C565 HydrophobicContact CB-CB 3.73Å; C536-C565 WeakPolarHBondContact CB-SG 3.37Å; C536-C565 WeakPolarHBondContact SG-CB 3.02Å; C536-C565 CovalentContact SG-SG 2.03Å; C536-C565 PolarHBondContact SG-SG 2.78Å; C536-L602 HydrophobicContact CB-CD2 3.81Å |
| 537 | A | 71.2 | Confident | 67.5 | Low | 27 Ų | 27 | 56.6 Ų | 56.6 | 22% | 0.223 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -67.1 | 134 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q254 R533 Q539 | Q254-A537 HydrophobicContact CB-CB 3.85Å; R533-A537 WeakPolarHBondContact O-CB 3.43Å; R533-A537 PolarHBondContact O-N 2.93Å; A537-Q539 PolarHBondContact O-N 3.32Å |
| 538 | P | 57.2 | Low | 64.7 | Low | 86 Ų | 86 | 61.9 Ų | 61.9 | 56% | 0.558 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 125.6 | 177 | 25.4 | -33.5 | 0 | 0 | 0 | 110.2 | ||
| 539 | Q | 54.5 | Low | 62.2 | Low | 69 Ų | 69 | 66.4 Ų | 66.4 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -64.2 | 139.3 | 172.8 | -69.6 | -167.2 | -54.2 | 0 | 0 | 109.6 | A537 H541 Q542 R564 | A537-Q539 PolarHBondContact O-N 3.32Å; Q539-H541 PolarHBondContact O-N 2.91Å; Q539-Q542 PolarHBondContact O-N 2.98Å; Q539-R564 VanDerWaalsContact CD-NH1 3.25Å |
| 540 | R | 51 | Low | 59.6 | Low | 100 Ų | 100 | 74.7 Ų | 74.7 | 38% | 0.377 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -35.8 | -179.5 | -91.3 | -175.9 | 167.6 | 161.4 | -1.1 | 112.7 | E781 | R540-E781 IonicContact CZ-OE1 3.07Å; R540-E781 IonicContact NH1-OE1 3.83Å; R540-E781 PolarHBondContact NH1-OE1 3.11Å; R540-E781 IonicContact NH2-OE1 2.9Å; R540-E781 PolarHBondContact NH2-OE1 3.43Å |
| 541 | H | 47.7 | Very low | 56.9 | Low | 50 Ų | 50 | 81.8 Ų | 81.8 | 23% | 0.231 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -27.4 | -179.4 | -73 | -43.6 | 0 | 0 | 0 | 115.5 | E248 W250 Q539 R543 Q544 Q545 | E248-H541 VanDerWaalsContact CB-NE2 3.31Å; E248-H541 WeakPolarHBondContact CB-NE2 3.43Å; E248-H541 PolarHBondContact O-CD2 3.04Å; E248-H541 IonicContact OE2-CE1 2.86Å; E248-H541 PolarHBondContact OE2-CE1 3.1Å; E248-H541 IonicContact OE2-NE2 3.41Å; E248-H541 PolarHBondContact OE2-NE2 3.46Å; W250-H541 AromaticContact CD1-CD2 3.54Å; W250-H541 AromaticContact CD1-NE2 3Å; W250-H541 AromaticContact NE1-CE1 3.67Å; W250-H541 AromaticContact NE1-NE2 3.02Å; W250-H541 PolarHBondContact NE1-NE2 2.7Å; Q539-H541 PolarHBondContact O-N 2.91Å; H541-R543 PolarHBondContact O-N 3.37Å; H541-Q544 PolarHBondContact O-N 3.41Å; H541-Q545 PolarHBondContact O-N 3.1Å |
| 542 | Q | 42.5 | Very low | 54.3 | Low | 78 Ų | 78 | 92.3 Ų | 92.3 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.4 | -21 | 176.9 | -80.8 | -174.1 | -7.2 | 0 | 0 | 112.8 | Q539 R546 | Q539-Q542 PolarHBondContact O-N 2.98Å; Q542-R546 VanDerWaalsContact O-CB 3.23Å; Q542-R546 WeakPolarHBondContact O-CB 3.26Å; Q542-R546 VanDerWaalsContact O-CG 3.29Å; Q542-R546 WeakPolarHBondContact O-CG 3.44Å; Q542-R546 PolarHBondContact O-N 2.68Å |
| 543 | R | 38.5 | Very low | 51.4 | Low | 163 Ų | 163 | 100 Ų | 100 | 62% | 0.615 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -71.3 | -31.7 | 176.5 | -85.8 | -172.3 | 168.7 | -177.1 | -2.6 | 113.1 | H541 | H541-R543 PolarHBondContact O-N 3.37Å |
| 544 | Q | 37.6 | Very low | 48.9 | Very low | 102 Ų | 102 | 105.7 Ų | 105.7 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -77.5 | -39.4 | 174.3 | -75.1 | -175.8 | -40.3 | 0 | 0 | 111.3 | H541 | H541-Q544 PolarHBondContact O-N 3.41Å |
| 545 | Q | 37.5 | Very low | 46.4 | Very low | 89 Ų | 89 | 112.1 Ų | 112.1 | 42% | 0.416 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.7 | -36.5 | 177.6 | -72.2 | 177.4 | -12 | 0 | 0 | 113.7 | H541 Q547 E548 S549 | H541-Q545 PolarHBondContact O-N 3.1Å; Q545-Q547 VanDerWaalsContact C-N 3.33Å; Q545-Q547 PolarHBondContact O-N 3.15Å; Q545-E548 PolarHBondContact O-N 2.65Å; Q545-S549 PolarHBondContact O-N 2.81Å; Q545-S549 VanDerWaalsContact O-N 3.14Å; Q545-S549 PolarHBondContact O-OG 3.08Å |
| 546 | R | 36.2 | Very low | 43.9 | Very low | 154 Ų | 154 | 122.7 Ų | 122.7 | 58% | 0.581 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -71.9 | -20.6 | -178.9 | -78.7 | -175.8 | 178.1 | -164.2 | -1.1 | 114.7 | Q542 E548 | Q542-R546 VanDerWaalsContact O-CB 3.23Å; Q542-R546 WeakPolarHBondContact O-CB 3.26Å; Q542-R546 VanDerWaalsContact O-CG 3.29Å; Q542-R546 WeakPolarHBondContact O-CG 3.44Å; Q542-R546 PolarHBondContact O-N 2.68Å; R546-E548 VanDerWaalsContact C-N 3.28Å |
| 547 | Q | 37.9 | Very low | 41.2 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 78% | 0.78 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -14.5 | 177.2 | -80.6 | -178 | -28.7 | 0 | 0 | 112.9 | Q545 | Q545-Q547 VanDerWaalsContact C-N 3.33Å; Q545-Q547 PolarHBondContact O-N 3.15Å |
| 548 | E | 37.1 | Very low | 39.2 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 54% | 0.537 | 63% | 0.627 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -117.5 | -23.1 | -178.4 | -67.8 | -176.9 | -177.2 | 0 | 0 | 113.8 | Q244 Q545 R546 Q550 N551 | Q244-E548 PolarHBondContact NE2-OE2 2.65Å; Q244-E548 VanDerWaalsContact NE2-OE2 3.09Å; Q545-E548 PolarHBondContact O-N 2.65Å; R546-E548 VanDerWaalsContact C-N 3.28Å; E548-Q550 PolarHBondContact O-N 3.15Å; E548-Q550 VanDerWaalsContact O-N 3.1Å; E548-N551 PolarHBondContact O-N 3.38Å |
| 549 | S | 41.7 | Very low | 37.8 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 67% | 0.671 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 0.5 | 175.3 | -70.9 | 0 | 0 | 0 | 0 | 115.5 | Q545 N551 | Q545-S549 PolarHBondContact O-N 2.81Å; Q545-S549 VanDerWaalsContact O-N 3.14Å; Q545-S549 PolarHBondContact O-OG 3.08Å; S549-N551 PolarHBondContact O-N 3.25Å |
| 550 | Q | 40.6 | Very low | 36.9 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 0.2 | 170.9 | -76.3 | -174.4 | -26.3 | 0 | 0 | 113.4 | E548 | E548-Q550 PolarHBondContact O-N 3.15Å; E548-Q550 VanDerWaalsContact O-N 3.1Å |
| 551 | N | 36 | Very low | 36.1 | Very low | 151 Ų | 151 | 138 Ų | 138 | 81% | 0.807 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -128.1 | 10.7 | -172.7 | -94 | -6.4 | 0 | 0 | 0 | 117.3 | E548 S549 | E548-N551 PolarHBondContact O-N 3.38Å; S549-N551 PolarHBondContact O-N 3.25Å |
| 552 | R | 37 | Very low | 36.1 | Very low | 221 Ų | 221 | 143.3 Ų | 143.3 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | trans | -144 | 114.3 | 173.3 | -74.3 | -167.6 | -179.5 | -177 | -0.3 | 114.1 | D554 | R552-D554 PolarHBondContact O-N 2.95Š| ||
| 553 | D | 31.8 | Very low | 36.6 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 87% | 0.866 | 71% | 0.708 | S | S | * | * | trans | -75.1 | 77.9 | 167.9 | -69.4 | -43.7 | 0 | 0 | 0 | 111 | ||||
| 554 | D | 36.6 | Very low | 37.9 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | trans | -121.9 | 94.8 | 165 | -100.9 | -33.5 | 0 | 0 | 0 | 111 | R552 | R552-D554 PolarHBondContact O-N 2.95Š| ||
| 555 | I | 31.1 | Very low | 39.9 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 80% | 0.8 | 68% | 0.677 | S | S | * | * | trans | -79.7 | 109.2 | 172.8 | -64.2 | 165.7 | 0 | 0 | 0 | 107.7 | ||||
| 556 | R | 33.4 | Very low | 42.1 | Very low | 232 Ų | 232 | 136.7 Ų | 136.7 | 88% | 0.875 | 67% | 0.671 | S | S | * | * | trans | -155.8 | 90.2 | 155.5 | -107.1 | 165.3 | -168.9 | -167.7 | 3.5 | 110.9 | ||||
| 557 | T | 27.5 | Very low | 44.4 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | trans | 41.9 | 84.3 | 146.5 | 55.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 558 | D | 30.1 | Very low | 46.8 | Very low | 118 Ų | 118 | 130 Ų | 130 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | trans | -131.1 | 91.9 | 144.2 | -160.8 | -8.2 | 0 | 0 | 0 | 108.5 | S560 | D558-S560 VanDerWaalsContact CG-OG 3.27Å; D558-S560 PolarHBondContact O-N 3.1Å; D558-S560 WeakPolarHBondContact OD1-CB 3.42Å; D558-S560 PolarHBondContact OD1-N 2.74Å; D558-S560 PolarHBondContact OD1-OG 3.17Å; D558-S560 PolarHBondContact OD2-OG 2.98Å | ||
| 559 | N | 28.3 | Very low | 49.3 | Very low | 160 Ų | 160 | 126.2 Ų | 126.2 | 86% | 0.856 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 13.4 | 179.8 | -81.9 | -17.4 | 0 | 0 | 0 | 113.1 | ||
| 560 | S | 34.7 | Very low | 51.6 | Low | 75 Ų | 75 | 123.4 Ų | 123.4 | 52% | 0.524 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.5 | 5.6 | -179 | 71.7 | 0 | 0 | 0 | 0 | 114.6 | D558 H562 | D558-S560 VanDerWaalsContact CG-OG 3.27Å; D558-S560 PolarHBondContact O-N 3.1Å; D558-S560 WeakPolarHBondContact OD1-CB 3.42Å; D558-S560 PolarHBondContact OD1-N 2.74Å; D558-S560 PolarHBondContact OD1-OG 3.17Å; D558-S560 PolarHBondContact OD2-OG 2.98Å; S560-H562 PolarHBondContact O-N 3.21Å |
| 561 | N | 35.2 | Very low | 54.1 | Low | 154 Ų | 154 | 118.4 Ų | 118.4 | 82% | 0.824 | 59% | 0.589 | S | S | * | * | trans | -72.1 | 56.1 | 169.9 | -106.3 | -18.7 | 0 | 0 | 0 | 111.7 | Q563 | N561-Q563 PolarHBondContact O-N 2.71Š| ||
| 562 | H | 46 | Very low | 56.8 | Low | 160 Ų | 160 | 118.5 Ų | 118.5 | 74% | 0.741 | 58% | 0.578 | S | S | * | * | trans | -61.8 | 100.1 | 166.5 | -92.4 | 71.3 | 0 | 0 | 0 | 107.7 | S560 R564 | S560-H562 PolarHBondContact O-N 3.21Å; H562-R564 PolarHBondContact O-N 2.97Å | ||
| 563 | Q | 53.2 | Low | 59.4 | Low | 130 Ų | 130 | 108.6 Ų | 108.6 | 61% | 0.607 | 54% | 0.541 | S | S | * | . | trans | -57.3 | 107.8 | 174.4 | -168.5 | 163.6 | -17.6 | 0 | 0 | 107.8 | N561 C565 | N561-Q563 PolarHBondContact O-N 2.71Å; Q563-C565 PolarHBondContact O-N 2.69Å | ||
| 564 | R | 66.6 | Low | 62.4 | Low | 97 Ų | 97 | 101.3 Ų | 101.3 | 37% | 0.366 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -48.1 | -27.5 | -172.4 | -69.3 | 175.9 | 172.4 | -164.5 | -3.1 | 114.5 | R496 M535 Q539 H562 | R496-R564 VanDerWaalsContact NH1-NH1 3.18Å; R496-R564 VanDerWaalsContact NH2-NE 3.12Å; M535-R564 WeakPolarHBondContact CG-O 3.37Å; Q539-R564 VanDerWaalsContact CD-NH1 3.25Å; H562-R564 PolarHBondContact O-N 2.97Å |
| 565 | C | 79.9 | Confident | 65.2 | Low | 11 Ų | 11 | 100.9 Ų | 100.9 | 7% | 0.074 | 49% | 0.489 | C | S | . | . | S | Bend | trans | -146.3 | 98.7 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 107.7 | M535 C536 Q563 K570 | M535-C565 HydrophobicContact CE-CB 4.37Å; M535-C565 HydrophobicContact CG-CB 4.34Å; C536-C565 HydrophobicContact CB-CB 3.73Å; C536-C565 WeakPolarHBondContact CB-SG 3.37Å; C536-C565 WeakPolarHBondContact SG-CB 3.02Å; C536-C565 CovalentContact SG-SG 2.03Å; C536-C565 PolarHBondContact SG-SG 2.78Å; Q563-C565 PolarHBondContact O-N 2.69Å; C565-K570 WeakPolarHBondContact SG-CG 3.27Å |
| 566 | D | 82.9 | Confident | 68.1 | Low | 56 Ų | 56 | 95.9 Ų | 95.9 | 30% | 0.299 | 47% | 0.466 | S | S | . | . | trans | -80.2 | 175.9 | 173.2 | 64.3 | 35.9 | 0 | 0 | 0 | 111.6 | E568 I569 K570 | D566-E568 VanDerWaalsContact C-N 3.29Å; D566-E568 PolarHBondContact O-N 2.96Å; D566-E568 WeakPolarHBondContact OD1-CA 3.12Å; D566-E568 WeakPolarHBondContact OD1-CB 2.97Å; D566-E568 PolarHBondContact OD1-N 2.86Å; D566-I569 VanDerWaalsContact OD1-CG1 3.3Å; D566-I569 WeakPolarHBondContact OD1-CG1 3.41Å; D566-I569 PolarHBondContact OD1-N 3.39Å; D566-K570 WeakPolarHBondContact O-CG 3.5Å; D566-K570 PolarHBondContact O-N 2.89Å | ||
| 567 | S | 85.2 | Confident | 71 | Confident | 66 Ų | 66 | 84.9 Ų | 84.9 | 46% | 0.462 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.3 | -31.4 | 179.1 | -167 | 0 | 0 | 0 | 0 | 112.5 | Q571 | S567-Q571 WeakPolarHBondContact O-CB 3.36Å; S567-Q571 VanDerWaalsContact O-CG 3.27Å; S567-Q571 WeakPolarHBondContact O-CG 3.48Å; S567-Q571 PolarHBondContact O-N 2.89Å; S567-Q571 PolarHBondContact OG-NE2 2.95Å |
| 568 | E | 87.9 | Confident | 74.1 | Confident | 114 Ų | 114 | 79.5 Ų | 79.5 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.7 | -46.4 | -177.3 | -166.5 | -168 | 150.2 | 0 | 0 | 111.3 | D566 K570 Q571 R572 | D566-E568 VanDerWaalsContact C-N 3.29Å; D566-E568 PolarHBondContact O-N 2.96Å; D566-E568 WeakPolarHBondContact OD1-CA 3.12Å; D566-E568 WeakPolarHBondContact OD1-CB 2.97Å; D566-E568 PolarHBondContact OD1-N 2.86Å; E568-K570 VanDerWaalsContact C-N 3.32Å; E568-K570 PolarHBondContact O-N 3.37Å; E568-Q571 PolarHBondContact O-N 2.86Å; E568-R572 WeakPolarHBondContact O-CB 3.29Å; E568-R572 PolarHBondContact O-N 2.87Å; E568-R572 IonicContact OE1-CZ 3.08Å; E568-R572 IonicContact OE1-NH2 2.77Å; E568-R572 PolarHBondContact OE1-NH2 2.95Å |
| 569 | I | 89.2 | Confident | 77.1 | Confident | 36 Ų | 36 | 79 Ų | 79 | 19% | 0.185 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 177.6 | -65.6 | 167.2 | 0 | 0 | 0 | 110.2 | K499 M532 M535 D566 R572 F573 | K499-I569 HydrophobicContact CB-CD1 4.49Å; K499-I569 HydrophobicContact CD-CD1 4.45Å; M532-I569 HydrophobicContact CE-CG2 4.18Å; M535-I569 HydrophobicContact CE-CG2 3.59Å; D566-I569 VanDerWaalsContact OD1-CG1 3.3Å; D566-I569 WeakPolarHBondContact OD1-CG1 3.41Å; D566-I569 PolarHBondContact OD1-N 3.39Å; I569-R572 PolarHBondContact O-N 3.02Å; I569-F573 PolarHBondContact O-N 2.79Å |
| 570 | K | 91 | Very high | 80.2 | Confident | 37 Ų | 37 | 74.3 Ų | 74.3 | 16% | 0.161 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.9 | -50.3 | 175.2 | -67.9 | 178.9 | 175.5 | -171.6 | 0 | 111.5 | C565 D566 E568 R572 F573 V574 L602 D603 V604 | C565-K570 WeakPolarHBondContact SG-CG 3.27Å; D566-K570 WeakPolarHBondContact O-CG 3.5Å; D566-K570 PolarHBondContact O-N 2.89Å; E568-K570 VanDerWaalsContact C-N 3.32Å; E568-K570 PolarHBondContact O-N 3.37Å; K570-R572 VanDerWaalsContact C-N 3.35Å; K570-R572 PolarHBondContact O-N 3.47Å; K570-F573 PolarHBondContact O-N 2.77Å; K570-V574 WeakPolarHBondContact O-CG2 3.46Å; K570-V574 PolarHBondContact O-N 2.68Å; K570-L602 HydrophobicContact CB-CD1 4.29Å; K570-L602 HydrophobicContact CG-CD1 4.41Å; K570-L602 HydrophobicContact CG-CD2 4.25Å; K570-D603 WeakPolarHBondContact CD-OD1 3.45Å; K570-D603 IonicContact NZ-OD1 2.7Å; K570-D603 PolarHBondContact NZ-OD1 2.95Å; K570-D603 IonicContact NZ-OD2 3.95Å; K570-D603 PolarHBondContact NZ-OD2 3.23Å; K570-D603 VanDerWaalsContact NZ-OD2 3.08Å; K570-V604 HydrophobicContact CB-CG2 3.75Å |
| 571 | Q | 92.3 | Very high | 82.9 | Confident | 68 Ų | 68 | 71.7 Ų | 71.7 | 32% | 0.318 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | -178.9 | -75.4 | 178.8 | 28 | 0 | 0 | 111.4 | S567 E568 V574 R575 V604 | S567-Q571 WeakPolarHBondContact O-CB 3.36Å; S567-Q571 VanDerWaalsContact O-CG 3.27Å; S567-Q571 WeakPolarHBondContact O-CG 3.48Å; S567-Q571 PolarHBondContact O-N 2.89Å; S567-Q571 PolarHBondContact OG-NE2 2.95Å; E568-Q571 PolarHBondContact O-N 2.86Å; Q571-V574 PolarHBondContact O-N 2.03Å; Q571-R575 VanDerWaalsContact O-CB 3.31Å; Q571-R575 WeakPolarHBondContact O-CB 3.41Å; Q571-R575 VanDerWaalsContact O-CG 3.25Å; Q571-R575 WeakPolarHBondContact O-CG 3.39Å; Q571-R575 PolarHBondContact O-N 3.01Å; Q571-V604 HydrophobicContact CG-CG1 4.39Å |
| 572 | R | 92.2 | Very high | 85.4 | Confident | 154 Ų | 154 | 68.5 Ų | 68.5 | 58% | 0.581 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -61.8 | -46.5 | 178.9 | -169.5 | -177.1 | -62.8 | -172.5 | -0 | 111.7 | E568 I569 K570 T576 | E568-R572 WeakPolarHBondContact O-CB 3.29Å; E568-R572 PolarHBondContact O-N 2.87Å; E568-R572 IonicContact OE1-CZ 3.08Å; E568-R572 IonicContact OE1-NH2 2.77Å; E568-R572 PolarHBondContact OE1-NH2 2.95Å; I569-R572 PolarHBondContact O-N 3.02Å; K570-R572 VanDerWaalsContact C-N 3.35Å; K570-R572 PolarHBondContact O-N 3.47Å; R572-T576 WeakPolarHBondContact O-CB 3.38Å; R572-T576 PolarHBondContact O-N 3.44Å; R572-T576 PolarHBondContact O-OG1 2.8Å |
| 573 | F | 93.1 | Very high | 87.5 | Confident | 13 Ų | 13 | 65 Ų | 65 | 6% | 0.057 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.4 | -48 | 176.9 | -177.1 | -95 | 0 | 0 | 0 | 111.5 | I502 M506 A528 M532 I569 K570 T576 I577 A600 L602 | I502-F573 HydrophobicContact CG2-CD2 4.49Å; M506-F573 HydrophobicContact SD-CE2 4.45Å; A528-F573 HydrophobicContact CB-CE2 4.25Å; M532-F573 HydrophobicContact CB-CE1 4.44Å; M532-F573 HydrophobicContact CE-CB 3.88Å; M532-F573 HydrophobicContact CE-CD1 4.42Å; M532-F573 HydrophobicContact CE-CG 4.05Å; M532-F573 HydrophobicContact CG-CD1 3.88Å; M532-F573 HydrophobicContact CG-CD2 3.59Å; M532-F573 HydrophobicContact CG-CE1 3.88Å; M532-F573 HydrophobicContact CG-CE2 3.6Å; M532-F573 HydrophobicContact CG-CG 3.73Å; M532-F573 HydrophobicContact CG-CZ 3.75Å; M532-F573 HydrophobicContact SD-CB 4.28Å; M532-F573 HydrophobicContact SD-CD2 4Å; M532-F573 HydrophobicContact SD-CG 4.05Å; I569-F573 PolarHBondContact O-N 2.79Å; K570-F573 PolarHBondContact O-N 2.77Å; F573-T576 PolarHBondContact O-N 2.97Å; F573-I577 HydrophobicContact CD1-CG1 4.43Å; F573-I577 HydrophobicContact CE1-CG1 4.06Å; F573-I577 HydrophobicContact CZ-CD1 4.49Å; F573-I577 HydrophobicContact CZ-CG1 4.15Å; F573-I577 WeakPolarHBondContact O-CG1 3.33Å; F573-I577 PolarHBondContact O-N 3.41Å; F573-I577 VanDerWaalsContact O-N 3.11Å; F573-A600 HydrophobicContact CE1-CB 3.91Å; F573-L602 HydrophobicContact CD1-CD1 4Å |
| 574 | V | 94 | Very high | 89 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.6 | -43.2 | -179.8 | 173.8 | 0 | 0 | 0 | 0 | 112.1 | K570 Q571 T576 I577 A578 L597 L602 V604 S605 E608 | K570-V574 WeakPolarHBondContact O-CG2 3.46Å; K570-V574 PolarHBondContact O-N 2.68Å; Q571-V574 PolarHBondContact O-N 2.03Å; V574-T576 VanDerWaalsContact C-N 3.35Å; V574-T576 PolarHBondContact O-N 2.81Å; V574-I577 PolarHBondContact O-N 3.37Å; V574-A578 WeakPolarHBondContact O-CB 3.38Å; V574-A578 PolarHBondContact O-N 3.08Å; V574-L597 HydrophobicContact CG1-CD2 4.43Å; V574-L597 HydrophobicContact CG2-CD2 4.22Å; V574-L602 HydrophobicContact CG2-CB 4.41Å; V574-L602 HydrophobicContact CG2-CD1 3.88Å; V574-V604 HydrophobicContact CB-CG2 4.31Å; V574-V604 HydrophobicContact CG2-CG2 3.75Å; V574-S605 WeakPolarHBondContact CG2-OG 3.49Å; V574-E608 HydrophobicContact CG1-CG 4.21Å |
| 575 | R | 94.4 | Very high | 89.7 | Confident | 148 Ų | 148 | 62.1 Ų | 62.1 | 56% | 0.558 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.2 | -47.1 | 174.5 | -75.4 | 178.2 | -171.2 | 153.5 | 8.9 | 111.1 | Q571 I577 A578 D579 | Q571-R575 VanDerWaalsContact O-CB 3.31Å; Q571-R575 WeakPolarHBondContact O-CB 3.41Å; Q571-R575 VanDerWaalsContact O-CG 3.25Å; Q571-R575 WeakPolarHBondContact O-CG 3.39Å; Q571-R575 PolarHBondContact O-N 3.01Å; R575-I577 VanDerWaalsContact C-N 3.28Å; R575-I577 PolarHBondContact O-N 3.49Å; R575-A578 PolarHBondContact O-N 3.04Å; R575-A578 VanDerWaalsContact O-N 3.13Å; R575-D579 WeakPolarHBondContact O-CB 3.49Å; R575-D579 PolarHBondContact O-N 2.9Å |
| 576 | T | 93.1 | Very high | 90 | Very high | 50 Ų | 50 | 67 Ų | 67 | 31% | 0.307 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56 | -43.2 | 177.8 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | M506 R572 F573 V574 R580 | M506-T576 HydrophobicContact CE-CG2 4.07Å; R572-T576 WeakPolarHBondContact O-CB 3.38Å; R572-T576 PolarHBondContact O-N 3.44Å; R572-T576 PolarHBondContact O-OG1 2.8Å; F573-T576 PolarHBondContact O-N 2.97Å; V574-T576 VanDerWaalsContact C-N 3.35Å; V574-T576 PolarHBondContact O-N 2.81Å; T576-R580 VanDerWaalsContact O-CG 3.26Å; T576-R580 WeakPolarHBondContact O-CG 3.39Å; T576-R580 PolarHBondContact O-N 2.65Å |
| 577 | I | 94.1 | Very high | 90 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -74.3 | -38.7 | 178.4 | -61.4 | -63.5 | 0 | 0 | 0 | 111.7 | M506 L525 F573 V574 R575 R580 L581 L593 L597 | M506-I577 HydrophobicContact CE-CD1 4.49Å; L525-I577 HydrophobicContact CD2-CD1 4.23Å; F573-I577 HydrophobicContact CD1-CG1 4.43Å; F573-I577 HydrophobicContact CE1-CG1 4.06Å; F573-I577 HydrophobicContact CZ-CD1 4.49Å; F573-I577 HydrophobicContact CZ-CG1 4.15Å; F573-I577 WeakPolarHBondContact O-CG1 3.33Å; F573-I577 PolarHBondContact O-N 3.41Å; F573-I577 VanDerWaalsContact O-N 3.11Å; V574-I577 PolarHBondContact O-N 3.37Å; R575-I577 VanDerWaalsContact C-N 3.28Å; R575-I577 PolarHBondContact O-N 3.49Å; I577-R580 PolarHBondContact O-N 2.82Å; I577-L581 VanDerWaalsContact O-CB 3.29Å; I577-L581 WeakPolarHBondContact O-CB 3.47Å; I577-L581 PolarHBondContact O-N 2.79Å; I577-L593 HydrophobicContact CD1-CD2 4.04Å; I577-L593 HydrophobicContact CG2-CB 4Å; I577-L593 HydrophobicContact CG2-CD2 3.99Å; I577-L597 HydrophobicContact CB-CD2 3.97Å; I577-L597 HydrophobicContact CB-CG 4.43Å; I577-L597 HydrophobicContact CG1-CD2 4.5Å; I577-L597 HydrophobicContact CG2-CD1 4.1Å; I577-L597 HydrophobicContact CG2-CD2 3.73Å; I577-L597 HydrophobicContact CG2-CG 3.64Å |
| 578 | A | 92.5 | Very high | 89.9 | Confident | 13 Ų | 13 | 62.9 Ų | 62.9 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | V574 R575 R580 L581 A582 E608 | V574-A578 WeakPolarHBondContact O-CB 3.38Å; V574-A578 PolarHBondContact O-N 3.08Å; R575-A578 PolarHBondContact O-N 3.04Å; R575-A578 VanDerWaalsContact O-N 3.13Å; A578-R580 PolarHBondContact O-N 3.36Å; A578-L581 WeakPolarHBondContact O-CB 3.4Å; A578-L581 PolarHBondContact O-N 3.13Å; A578-L581 VanDerWaalsContact O-N 3.12Å; A578-A582 WeakPolarHBondContact O-CB 3.47Å; A578-A582 PolarHBondContact O-N 2.93Å; A578-E608 HydrophobicContact CB-CG 4.06Å |
| 579 | D | 93.6 | Very high | 89.9 | Confident | 109 Ų | 109 | 58.5 Ų | 58.5 | 58% | 0.583 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 175.9 | -65.1 | -23.2 | 0 | 0 | 0 | 110.4 | R575 L581 A582 A583 | R575-D579 WeakPolarHBondContact O-CB 3.49Å; R575-D579 PolarHBondContact O-N 2.9Å; D579-L581 VanDerWaalsContact C-N 3.31Å; D579-L581 PolarHBondContact O-N 3.4Å; D579-A582 PolarHBondContact O-N 2.9Å; D579-A583 VanDerWaalsContact O-CB 3.27Å; D579-A583 WeakPolarHBondContact O-CB 3.08Å; D579-A583 PolarHBondContact O-N 2.83Å |
| 580 | R | 93 | Very high | 89.9 | Confident | 60 Ų | 60 | 58.3 Ų | 58.3 | 23% | 0.226 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -34.4 | 173.4 | -71.7 | 177.5 | -179.2 | -154.8 | 3.3 | 112.4 | D509 E510 T576 I577 A578 S584 L593 | D509-R580 IonicContact OD2-CZ 2.73Å; D509-R580 IonicContact OD2-NH1 3.83Å; D509-R580 PolarHBondContact OD2-NH1 2.92Å; D509-R580 IonicContact OD2-NH2 3.88Å; E510-R580 IonicContact OE1-NH2 3.88Å; E510-R580 PolarHBondContact OE1-NH2 3.31Å; T576-R580 VanDerWaalsContact O-CG 3.26Å; T576-R580 WeakPolarHBondContact O-CG 3.39Å; T576-R580 PolarHBondContact O-N 2.65Å; I577-R580 PolarHBondContact O-N 2.82Å; A578-R580 PolarHBondContact O-N 3.36Å; R580-S584 WeakPolarHBondContact O-CB 3.24Å; R580-S584 PolarHBondContact O-N 2.87Å; R580-L593 HydrophobicContact CB-CD1 3.94Å; R580-L593 HydrophobicContact CB-CD2 4.2Å |
| 581 | L | 91 | Very high | 89.8 | Confident | 21 Ų | 21 | 56.6 Ų | 56.6 | 11% | 0.11 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70 | -41.4 | 177.5 | -178.7 | 65.2 | 0 | 0 | 0 | 111.1 | I577 A578 D579 Q590 L593 I594 I612 | I577-L581 VanDerWaalsContact O-CB 3.29Å; I577-L581 WeakPolarHBondContact O-CB 3.47Å; I577-L581 PolarHBondContact O-N 2.79Å; A578-L581 WeakPolarHBondContact O-CB 3.4Å; A578-L581 PolarHBondContact O-N 3.13Å; A578-L581 VanDerWaalsContact O-N 3.12Å; D579-L581 VanDerWaalsContact C-N 3.31Å; D579-L581 PolarHBondContact O-N 3.4Å; L581-Q590 HydrophobicContact CD1-CB 3.79Å; L581-Q590 HydrophobicContact CD1-CG 3.83Å; L581-L593 HydrophobicContact CB-CB 4.48Å; L581-L593 HydrophobicContact CB-CD1 4.04Å; L581-L593 HydrophobicContact CD1-CB 4.17Å; L581-L593 HydrophobicContact CD1-CD1 4.3Å; L581-I594 HydrophobicContact CD1-CG1 4.27Å; L581-I594 HydrophobicContact CD2-CG1 4.21Å; L581-I612 HydrophobicContact CD2-CD1 3.8Å |
| 582 | A | 88.4 | Confident | 89.8 | Confident | 86 Ų | 86 | 53.5 Ų | 53.5 | 71% | 0.711 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -70.7 | -33.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A578 D579 S584 | A578-A582 WeakPolarHBondContact O-CB 3.47Å; A578-A582 PolarHBondContact O-N 2.93Å; D579-A582 PolarHBondContact O-N 2.9Å; A582-S584 VanDerWaalsContact C-N 3.33Å |
| 583 | A | 89.6 | Confident | 90 | Very high | 86 Ų | 86 | 46.5 Ų | 46.5 | 71% | 0.711 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -77.3 | -14.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D579 | D579-A583 VanDerWaalsContact O-CB 3.27Å; D579-A583 WeakPolarHBondContact O-CB 3.08Å; D579-A583 PolarHBondContact O-N 2.83Å |
| 584 | S | 85.9 | Confident | 90 | Very high | 18 Ų | 18 | 46 Ų | 46 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | trans | -107.5 | 117.1 | -174.3 | 177.2 | 0 | 0 | 0 | 0 | 113.4 | R580 A582 R586 D589 Q590 | R580-S584 WeakPolarHBondContact O-CB 3.24Å; R580-S584 PolarHBondContact O-N 2.87Å; A582-S584 VanDerWaalsContact C-N 3.33Å; S584-R586 VanDerWaalsContact C-N 3.32Å; S584-R586 PolarHBondContact OG-N 2.97Å; S584-D589 VanDerWaalsContact OG-CB 3.24Å; S584-D589 WeakPolarHBondContact OG-CB 3.49Å; S584-Q590 PolarHBondContact O-NE2 2.78Å | ||
| 585 | D | 81.3 | Confident | 90.1 | Very high | 150 Ų | 150 | 45.7 Ų | 45.7 | 80% | 0.802 | 25% | 0.246 | S | C | * | . | trans | -82.7 | -9.2 | 169 | -67.2 | -37.8 | 0 | 0 | 0 | 113.2 | W587 | D585-W587 PolarHBondContact O-N 3.21Š| ||
| 586 | R | 84.3 | Confident | 90.1 | Very high | 113 Ų | 113 | 38.7 Ų | 38.7 | 43% | 0.426 | 22% | 0.22 | S | C | . | . | trans | -74.9 | 121.8 | 178.8 | -69.5 | -176.9 | 69 | -172.4 | -0.1 | 110.4 | E518 S584 E588 D589 Q590 | E518-R586 IonicContact OE1-CZ 2.75Å; E518-R586 IonicContact OE1-NH1 3.91Å; E518-R586 IonicContact OE1-NH2 3.25Å; E518-R586 PolarHBondContact OE1-NH2 3.39Å; S584-R586 VanDerWaalsContact C-N 3.32Å; S584-R586 PolarHBondContact OG-N 2.97Å; R586-E588 VanDerWaalsContact C-N 3.31Å; R586-E588 PolarHBondContact O-N 3.15Å; R586-D589 HydrophobicContact CB-CB 4.08Å; R586-D589 IonicContact NE-OD2 3.76Å; R586-D589 IonicContact NH1-OD2 3.91Å; R586-D589 PolarHBondContact O-N 3.05Å; R586-D589 VanDerWaalsContact O-N 3.15Å; R586-Q590 WeakPolarHBondContact O-CG 3.29Å; R586-Q590 PolarHBondContact O-N 2.87Å | ||
| 587 | W | 83.2 | Confident | 90.2 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 3% | 0.034 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.4 | -40 | 180 | 173 | 84.9 | 0 | 0 | 0 | 112.7 | D585 D589 Q590 V591 I624 K852 W854 T868 | D585-W587 PolarHBondContact O-N 3.21Å; W587-D589 VanDerWaalsContact C-N 3.25Å; W587-D589 PolarHBondContact O-N 3.22Å; W587-Q590 PolarHBondContact O-N 2.81Å; W587-V591 HydrophobicContact CD2-CG2 3.98Å; W587-V591 HydrophobicContact CE3-CG2 4.43Å; W587-V591 HydrophobicContact CH2-CG2 4.06Å; W587-V591 HydrophobicContact CZ2-CG2 3.57Å; W587-V591 HydrophobicContact CZ3-CG2 4.47Å; W587-V591 WeakPolarHBondContact O-CG2 3.45Å; W587-V591 PolarHBondContact O-N 3.12Å; W587-I624 HydrophobicContact CG-CD1 4.47Å; W587-K852 HydrophobicContact CB-CD 3.99Å; W587-K852 HydrophobicContact CD2-CB 4.5Å; W587-K852 HydrophobicContact CD2-CD 3.54Å; W587-K852 HydrophobicContact CE3-CB 4.29Å; W587-K852 HydrophobicContact CE3-CD 3.74Å; W587-K852 HydrophobicContact CE3-CG 4.42Å; W587-K852 HydrophobicContact CG-CD 3.63Å; W587-K852 HydrophobicContact CH2-CB 4.3Å; W587-K852 HydrophobicContact CZ2-CB 4.48Å; W587-K852 HydrophobicContact CZ3-CB 4.19Å; W587-K852 HydrophobicContact CZ3-CD 4.48Å; W587-W854 HydrophobicContact CH2-CB 4.04Å; W587-W854 AromaticContact CH2-CD2 3.83Å; W587-W854 HydrophobicContact CH2-CD2 3.83Å; W587-W854 AromaticContact CH2-CE3 3.43Å; W587-W854 HydrophobicContact CH2-CE3 3.43Å; W587-W854 VanDerWaalsContact CH2-CE3 3.43Å; W587-W854 HydrophobicContact CH2-CG 4.11Å; W587-W854 HydrophobicContact CH2-CZ3 4.15Å; W587-W854 HydrophobicContact CZ2-CD2 4.03Å; W587-W854 AromaticContact CZ2-CE3 3.52Å; W587-W854 HydrophobicContact CZ2-CE3 3.52Å; W587-W854 HydrophobicContact CZ2-CH2 4.49Å; W587-W854 AromaticContact CZ2-CZ3 3.79Å; W587-W854 HydrophobicContact CZ2-CZ3 3.79Å; W587-T868 HydrophobicContact CH2-CG2 4.44Å; W587-T868 HydrophobicContact CZ3-CG2 3.89Å |
| 588 | E | 83 | Confident | 90.2 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 12% | 0.121 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.3 | -39.6 | 178.9 | -63.2 | 78.3 | -174.1 | 0 | 0 | 111.5 | R586 I592 T868 | R586-E588 VanDerWaalsContact C-N 3.31Å; R586-E588 PolarHBondContact O-N 3.15Å; E588-I592 WeakPolarHBondContact O-CG2 3.26Å; E588-I592 PolarHBondContact O-N 3.4Å; E588-I592 VanDerWaalsContact O-N 3.16Å; E588-T868 HydrophobicContact CG-CG2 4.21Å; E588-T868 WeakPolarHBondContact CG-OG1 3.44Å |
| 589 | D | 88.1 | Confident | 90.3 | Very high | 23 Ų | 23 | 35.6 Ų | 35.6 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -73 | -36.6 | 179.8 | -70.3 | -18.3 | 0 | 0 | 0 | 111 | R521 S584 R586 W587 I592 L593 | R521-D589 IonicContact CZ-OD1 3.1Å; R521-D589 VanDerWaalsContact NH2-CG 3.31Å; R521-D589 IonicContact NH2-OD1 3.23Å; R521-D589 PolarHBondContact NH2-OD1 3.1Å; R521-D589 IonicContact NH2-OD2 3.93Å; R521-D589 PolarHBondContact NH2-OD2 3.23Å; S584-D589 VanDerWaalsContact OG-CB 3.24Å; S584-D589 WeakPolarHBondContact OG-CB 3.49Å; R586-D589 HydrophobicContact CB-CB 4.08Å; R586-D589 IonicContact NE-OD2 3.76Å; R586-D589 IonicContact NH1-OD2 3.91Å; R586-D589 PolarHBondContact O-N 3.05Å; R586-D589 VanDerWaalsContact O-N 3.15Å; W587-D589 VanDerWaalsContact C-N 3.25Å; W587-D589 PolarHBondContact O-N 3.22Å; D589-I592 WeakPolarHBondContact O-CG2 3.43Å; D589-L593 WeakPolarHBondContact O-CB 3.48Å; D589-L593 WeakPolarHBondContact O-CD1 3.3Å; D589-L593 WeakPolarHBondContact O-CG 3.31Å; D589-L593 PolarHBondContact O-N 2.87Å; D589-L593 VanDerWaalsContact O-N 3.13Å |
| 590 | Q | 89.6 | Confident | 90.3 | Very high | 32 Ų | 32 | 30.5 Ų | 30.5 | 15% | 0.15 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.2 | -44.9 | 172.4 | -65.9 | 178.3 | -21.3 | 0 | 0 | 112.3 | L581 S584 R586 W587 L593 I594 I624 | L581-Q590 HydrophobicContact CD1-CB 3.79Å; L581-Q590 HydrophobicContact CD1-CG 3.83Å; S584-Q590 PolarHBondContact O-NE2 2.78Å; R586-Q590 WeakPolarHBondContact O-CG 3.29Å; R586-Q590 PolarHBondContact O-N 2.87Å; W587-Q590 PolarHBondContact O-N 2.81Å; Q590-L593 PolarHBondContact O-N 3.41Å; Q590-I594 WeakPolarHBondContact O-CB 3.15Å; Q590-I594 WeakPolarHBondContact O-CD1 3.26Å; Q590-I594 VanDerWaalsContact O-CG1 3.26Å; Q590-I594 WeakPolarHBondContact O-CG1 3.32Å; Q590-I594 PolarHBondContact O-N 3.32Å; Q590-I624 HydrophobicContact CB-CD1 3.82Å |
| 591 | V | 89.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 179.7 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | W587 R595 I624 E627 L866 | W587-V591 HydrophobicContact CD2-CG2 3.98Å; W587-V591 HydrophobicContact CE3-CG2 4.43Å; W587-V591 HydrophobicContact CH2-CG2 4.06Å; W587-V591 HydrophobicContact CZ2-CG2 3.57Å; W587-V591 HydrophobicContact CZ3-CG2 4.47Å; W587-V591 WeakPolarHBondContact O-CG2 3.45Å; W587-V591 PolarHBondContact O-N 3.12Å; V591-R595 HydrophobicContact CG1-CG 4.49Å; V591-R595 WeakPolarHBondContact O-CB 3.3Å; V591-R595 VanDerWaalsContact O-CG 3.32Å; V591-R595 WeakPolarHBondContact O-CG 3.46Å; V591-R595 PolarHBondContact O-N 2.64Å; V591-I624 HydrophobicContact CG2-CD1 3.65Å; V591-E627 HydrophobicContact CG1-CG 4.2Å; V591-E627 HydrophobicContact CG2-CG 4.43Å; V591-L866 HydrophobicContact CG1-CD1 4.43Å; V591-L866 HydrophobicContact CG1-CD2 3.91Å |
| 592 | I | 92.3 | Very high | 90.3 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.8 | -39.9 | -179.2 | -173.5 | 65.8 | 0 | 0 | 0 | 111.9 | R522 L525 L526 E588 D589 R595 A596 L866 | R522-I592 HydrophobicContact CB-CD1 3.83Å; R522-I592 HydrophobicContact CB-CG1 4.21Å; R522-I592 HydrophobicContact CG-CD1 3.98Å; R522-I592 HydrophobicContact CG-CG1 3.99Å; L525-I592 HydrophobicContact CB-CG1 4.29Å; L525-I592 HydrophobicContact CD1-CG1 4.08Å; L525-I592 HydrophobicContact CD1-CG2 4.31Å; L526-I592 HydrophobicContact CD1-CD1 3.94Å; L526-I592 HydrophobicContact CD2-CD1 3.76Å; L526-I592 HydrophobicContact CG-CD1 3.59Å; E588-I592 WeakPolarHBondContact O-CG2 3.26Å; E588-I592 PolarHBondContact O-N 3.4Å; E588-I592 VanDerWaalsContact O-N 3.16Å; D589-I592 WeakPolarHBondContact O-CG2 3.43Å; I592-R595 PolarHBondContact O-N 3.28Å; I592-A596 WeakPolarHBondContact O-CB 3.45Å; I592-A596 PolarHBondContact O-N 2.84Å; I592-L866 HydrophobicContact CB-CD2 4.15Å; I592-L866 HydrophobicContact CD1-CD2 3.96Å |
| 593 | L | 94.7 | Very high | 90.4 | Very high | 8 Ų | 8 | 25.8 Ų | 25.8 | 4% | 0.042 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.5 | -41.9 | 178.8 | -67.7 | 168.7 | 0 | 0 | 0 | 111.7 | L525 I577 R580 L581 D589 Q590 R595 A596 L597 | L525-L593 HydrophobicContact CD1-CD2 4.25Å; L525-L593 HydrophobicContact CD2-CD2 4.49Å; I577-L593 HydrophobicContact CD1-CD2 4.04Å; I577-L593 HydrophobicContact CG2-CB 4Å; I577-L593 HydrophobicContact CG2-CD2 3.99Å; R580-L593 HydrophobicContact CB-CD1 3.94Å; R580-L593 HydrophobicContact CB-CD2 4.2Å; L581-L593 HydrophobicContact CB-CB 4.48Å; L581-L593 HydrophobicContact CB-CD1 4.04Å; L581-L593 HydrophobicContact CD1-CB 4.17Å; L581-L593 HydrophobicContact CD1-CD1 4.3Å; D589-L593 WeakPolarHBondContact O-CB 3.48Å; D589-L593 WeakPolarHBondContact O-CD1 3.3Å; D589-L593 WeakPolarHBondContact O-CG 3.31Å; D589-L593 PolarHBondContact O-N 2.87Å; D589-L593 VanDerWaalsContact O-N 3.13Å; Q590-L593 PolarHBondContact O-N 3.41Å; L593-R595 VanDerWaalsContact C-N 3.32Å; L593-R595 PolarHBondContact O-N 3.17Å; L593-A596 WeakPolarHBondContact O-CB 3.34Å; L593-A596 PolarHBondContact O-N 3.43Å; L593-L597 PolarHBondContact O-N 2.82Å |
| 594 | I | 94.9 | Very high | 90.5 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 173.3 | -68.8 | 167.1 | 0 | 0 | 0 | 111 | L581 Q590 L597 G598 L609 I612 I624 E627 A628 A631 | L581-I594 HydrophobicContact CD1-CG1 4.27Å; L581-I594 HydrophobicContact CD2-CG1 4.21Å; Q590-I594 WeakPolarHBondContact O-CB 3.15Å; Q590-I594 WeakPolarHBondContact O-CD1 3.26Å; Q590-I594 VanDerWaalsContact O-CG1 3.26Å; Q590-I594 WeakPolarHBondContact O-CG1 3.32Å; Q590-I594 PolarHBondContact O-N 3.32Å; I594-L597 PolarHBondContact O-N 3.15Å; I594-G598 PolarHBondContact O-N 3.12Å; I594-L609 HydrophobicContact CG2-CD2 4.21Å; I594-I612 HydrophobicContact CD1-CD1 4.1Å; I594-I612 HydrophobicContact CG1-CD1 4.22Å; I594-I624 HydrophobicContact CD1-CG2 3.65Å; I594-E627 HydrophobicContact CG2-CB 4.1Å; I594-A628 HydrophobicContact CG2-CB 4.33Å; I594-A631 HydrophobicContact CG2-CB 4Å |
| 595 | R | 94.2 | Very high | 90.9 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 1% | 0.011 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67 | -35.6 | 175.5 | -74.9 | -179.4 | 178.1 | -109.6 | 2.4 | 112.6 | L526 V591 I592 L593 G598 N599 E627 E790 S856 D863 | L526-R595 HydrophobicContact CD2-CB 3.87Å; V591-R595 HydrophobicContact CG1-CG 4.49Å; V591-R595 WeakPolarHBondContact O-CB 3.3Å; V591-R595 VanDerWaalsContact O-CG 3.32Å; V591-R595 WeakPolarHBondContact O-CG 3.46Å; V591-R595 PolarHBondContact O-N 2.64Å; I592-R595 PolarHBondContact O-N 3.28Å; L593-R595 VanDerWaalsContact C-N 3.32Å; L593-R595 PolarHBondContact O-N 3.17Å; R595-G598 CarbonylContact O-C 3.42Å; R595-G598 WeakPolarHBondContact O-CA 3.43Å; R595-G598 PolarHBondContact O-N 3.24Å; R595-N599 PolarHBondContact O-N 2.63Å; R595-E627 IonicContact CZ-OE1 2.94Å; R595-E627 IonicContact CZ-OE2 2.72Å; R595-E627 IonicContact NE-OE1 2.79Å; R595-E627 IonicContact NE-OE2 2.81Å; R595-E627 PolarHBondContact NE-OE2 2.8Å; R595-E627 VanDerWaalsContact NH2-CD 3.25Å; R595-E627 IonicContact NH2-OE1 3.2Å; R595-E627 PolarHBondContact NH2-OE1 3.28Å; R595-E627 IonicContact NH2-OE2 3.76Å; R595-E627 PolarHBondContact NH2-OE2 2.77Å; R595-E790 IonicContact NH1-OE2 2.62Å; R595-E790 PolarHBondContact NH1-OE2 3.05Å; R595-E790 IonicContact NH2-OE2 3.02Å; R595-S856 PolarHBondContact NH1-OG 2.97Å; R595-D863 IonicContact CZ-OD1 2.96Å; R595-D863 IonicContact NH1-OD1 3.01Å; R595-D863 PolarHBondContact NH1-OD1 2.87Å |
| 596 | A | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.8 | -44.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L525 I592 L593 G598 N599 A600 | L525-A596 HydrophobicContact CB-CB 4.42Å; L525-A596 WeakPolarHBondContact O-CB 3.25Å; I592-A596 WeakPolarHBondContact O-CB 3.45Å; I592-A596 PolarHBondContact O-N 2.84Å; L593-A596 WeakPolarHBondContact O-CB 3.34Å; L593-A596 PolarHBondContact O-N 3.43Å; A596-G598 VanDerWaalsContact C-N 3.28Å; A596-G598 PolarHBondContact O-N 2.68Å; A596-N599 PolarHBondContact O-N 3.24Å; A596-A600 PolarHBondContact O-N 3.47Å |
| 597 | L | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 169.8 | -67.6 | 176.6 | 0 | 0 | 0 | 111.4 | V574 I577 L593 I594 N599 A600 G601 L609 | V574-L597 HydrophobicContact CG1-CD2 4.43Å; V574-L597 HydrophobicContact CG2-CD2 4.22Å; I577-L597 HydrophobicContact CB-CD2 3.97Å; I577-L597 HydrophobicContact CB-CG 4.43Å; I577-L597 HydrophobicContact CG1-CD2 4.5Å; I577-L597 HydrophobicContact CG2-CD1 4.1Å; I577-L597 HydrophobicContact CG2-CD2 3.73Å; I577-L597 HydrophobicContact CG2-CG 3.64Å; L593-L597 PolarHBondContact O-N 2.82Å; I594-L597 PolarHBondContact O-N 3.15Å; L597-N599 PolarHBondContact O-N 3.2Å; L597-A600 PolarHBondContact O-N 3.42Å; L597-G601 PolarHBondContact O-N 2.92Å; L597-L609 HydrophobicContact CD1-CD2 4.42Å |
| 598 | G | 94 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.7 | -35.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | I594 R595 A596 A631 R633 H634 | I594-G598 PolarHBondContact O-N 3.12Å; R595-G598 CarbonylContact O-C 3.42Å; R595-G598 WeakPolarHBondContact O-CA 3.43Å; R595-G598 PolarHBondContact O-N 3.24Å; A596-G598 VanDerWaalsContact C-N 3.28Å; A596-G598 PolarHBondContact O-N 2.68Å; G598-A631 WeakPolarHBondContact CA-O 3.4Å; G598-R633 PolarHBondContact O-NH2 2.87Å; G598-H634 PolarHBondContact O-CD2 3.48Å |
| 599 | N | 94.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.5 | -43.8 | 172.3 | -87.7 | -1.1 | 0 | 0 | 0 | 111.2 | L526 G529 S530 R533 R595 A596 L597 R633 H634 Q862 D863 | L526-N599 PolarHBondContact O-ND2 2.92Å; G529-N599 CarbonylContact O-C 3.56Å; S530-N599 PolarHBondContact OG-ND2 2.66Å; R533-N599 WeakPolarHBondContact CB-O 3.32Å; R595-N599 PolarHBondContact O-N 2.63Å; A596-N599 PolarHBondContact O-N 3.24Å; L597-N599 PolarHBondContact O-N 3.2Å; N599-R633 PolarHBondContact OD1-NH2 3.41Å; N599-H634 PolarHBondContact O-CD2 2.7Å; N599-Q862 VanDerWaalsContact CB-OE1 3.31Å; N599-Q862 PolarHBondContact O-OE1 3.46Å; N599-Q862 PolarHBondContact OD1-OE1 2.94Å; N599-D863 PolarHBondContact ND2-O 2.79Å; N599-D863 PolarHBondContact OD1-N 3.28Å |
| 600 | A | 93.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 16.2 Ų | 16.2 | 2% | 0.017 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G529 M532 R533 F573 A596 L597 L602 | G529-A600 WeakPolarHBondContact O-CA 3.11Å; G529-A600 PolarHBondContact O-N 3.35Å; M532-A600 HydrophobicContact CB-CB 3.99Å; R533-A600 WeakPolarHBondContact CB-O 3.31Å; F573-A600 HydrophobicContact CE1-CB 3.91Å; A596-A600 PolarHBondContact O-N 3.47Å; L597-A600 PolarHBondContact O-N 3.42Å; A600-L602 HydrophobicContact CB-CD1 4.35Å; A600-L602 HydrophobicContact CB-CG 4.03Å; A600-L602 PolarHBondContact O-N 2.91Å |
| 601 | G | 91.6 | Very high | 93.3 | Very high | 10 Ų | 10 | 16.4 Ų | 16.4 | 10% | 0.103 | 10% | 0.096 | C | C | . | . | trans | 59.3 | 33.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L597 | L597-G601 PolarHBondContact O-N 2.92Š| ||
| 602 | L | 92.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 17.1 Ų | 17.1 | 3% | 0.026 | 10% | 0.099 | C | C | . | . | trans | -75.5 | 138.6 | -180 | -55.9 | 176 | 0 | 0 | 0 | 109.9 | M532 C536 K570 F573 V574 A600 V604 S605 | M532-L602 HydrophobicContact CE-CD1 3.75Å; M532-L602 HydrophobicContact CE-CD2 4.43Å; C536-L602 HydrophobicContact CB-CD2 3.81Å; K570-L602 HydrophobicContact CB-CD1 4.29Å; K570-L602 HydrophobicContact CG-CD1 4.41Å; K570-L602 HydrophobicContact CG-CD2 4.25Å; F573-L602 HydrophobicContact CD1-CD1 4Å; V574-L602 HydrophobicContact CG2-CB 4.41Å; V574-L602 HydrophobicContact CG2-CD1 3.88Å; A600-L602 HydrophobicContact CB-CD1 4.35Å; A600-L602 HydrophobicContact CB-CG 4.03Å; A600-L602 PolarHBondContact O-N 2.91Å; L602-V604 VanDerWaalsContact C-N 3.26Å; L602-V604 HydrophobicContact CB-CG2 4.06Å; L602-V604 PolarHBondContact O-N 3.45Å; L602-S605 VanDerWaalsContact O-CB 3.31Å; L602-S605 WeakPolarHBondContact O-CB 3.12Å; L602-S605 PolarHBondContact O-N 3.17Å; L602-S605 PolarHBondContact O-OG 3.34Å | ||
| 603 | D | 90.2 | Very high | 93.4 | Very high | 53 Ų | 53 | 17.5 Ų | 17.5 | 28% | 0.283 | 10% | 0.102 | S | C | . | . | G | 310 helix | trans | -53.9 | -41.2 | 175 | 45.8 | -7.4 | 0 | 0 | 0 | 112.5 | K570 S605 I606 L639 | K570-D603 WeakPolarHBondContact CD-OD1 3.45Å; K570-D603 IonicContact NZ-OD1 2.7Å; K570-D603 PolarHBondContact NZ-OD1 2.95Å; K570-D603 IonicContact NZ-OD2 3.95Å; K570-D603 PolarHBondContact NZ-OD2 3.23Å; K570-D603 VanDerWaalsContact NZ-OD2 3.08Å; D603-S605 PolarHBondContact O-N 3.42Å; D603-I606 WeakPolarHBondContact O-CB 3.28Å; D603-I606 WeakPolarHBondContact O-CG2 3.49Å; D603-I606 PolarHBondContact O-N 2.96Å; D603-L639 HydrophobicContact CB-CD1 3.94Å; D603-L639 HydrophobicContact CB-CG 4.16Å |
| 604 | V | 92.4 | Very high | 93.1 | Very high | 40 Ų | 40 | 23.2 Ų | 23.2 | 24% | 0.242 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -67.3 | -15.6 | 177.7 | -63.3 | 0 | 0 | 0 | 0 | 114.1 | K570 Q571 V574 L602 I606 | K570-V604 HydrophobicContact CB-CG2 3.75Å; Q571-V604 HydrophobicContact CG-CG1 4.39Å; V574-V604 HydrophobicContact CB-CG2 4.31Å; V574-V604 HydrophobicContact CG2-CG2 3.75Å; L602-V604 VanDerWaalsContact C-N 3.26Å; L602-V604 HydrophobicContact CB-CG2 4.06Å; L602-V604 PolarHBondContact O-N 3.45Å; V604-I606 PolarHBondContact O-N 3.29Å |
| 605 | S | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -74.2 | -9.3 | 175.8 | -51.8 | 0 | 0 | 0 | 0 | 113 | V574 L602 D603 S607 E608 L609 | V574-S605 WeakPolarHBondContact CG2-OG 3.49Å; L602-S605 VanDerWaalsContact O-CB 3.31Å; L602-S605 WeakPolarHBondContact O-CB 3.12Å; L602-S605 PolarHBondContact O-N 3.17Å; L602-S605 PolarHBondContact O-OG 3.34Å; D603-S605 PolarHBondContact O-N 3.42Å; S605-S607 VanDerWaalsContact C-N 3.32Å; S605-S607 PolarHBondContact O-N 3.29Å; S605-E608 PolarHBondContact O-N 3.38Å; S605-L609 WeakPolarHBondContact O-CG 3.38Å; S605-L609 PolarHBondContact O-N 2.91Å; S605-L609 VanDerWaalsContact O-N 3.14Å |
| 606 | I | 94 | Very high | 91.9 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 11% | 0.113 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.3 | -32.6 | -174.5 | -162.6 | 56.4 | 0 | 0 | 0 | 113 | D603 V604 E610 L632 I635 L639 K642 I646 | D603-I606 WeakPolarHBondContact O-CB 3.28Å; D603-I606 WeakPolarHBondContact O-CG2 3.49Å; D603-I606 PolarHBondContact O-N 2.96Å; V604-I606 PolarHBondContact O-N 3.29Å; I606-E610 WeakPolarHBondContact O-CB 3.06Å; I606-E610 PolarHBondContact O-N 2.92Å; I606-L632 HydrophobicContact CD1-CD2 3.54Å; I606-I635 HydrophobicContact CD1-CG2 4.1Å; I606-L639 HydrophobicContact CB-CD1 4.16Å; I606-L639 HydrophobicContact CG1-CD1 4.38Å; I606-L639 HydrophobicContact CG2-CD1 4.02Å; I606-K642 HydrophobicContact CG1-CG 4.05Å; I606-I646 HydrophobicContact CD1-CD1 3.55Å; I606-I646 HydrophobicContact CG1-CD1 3.97Å |
| 607 | S | 92.4 | Very high | 90.9 | Very high | 64 Ų | 64 | 34 Ų | 34 | 45% | 0.448 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.4 | -48.8 | 178.6 | 54.3 | 0 | 0 | 0 | 0 | 111.1 | S605 E610 S611 | S605-S607 VanDerWaalsContact C-N 3.32Å; S605-S607 PolarHBondContact O-N 3.29Å; S607-E610 PolarHBondContact O-N 3.47Å; S607-S611 PolarHBondContact O-N 2.96Å |
| 608 | E | 93.1 | Very high | 89.9 | Confident | 72 Ų | 72 | 44.5 Ų | 44.5 | 34% | 0.336 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.6 | -48.3 | -179.7 | -55.7 | -47.2 | 126.2 | 0 | 0 | 111.1 | V574 A578 S605 E610 S611 I612 | V574-E608 HydrophobicContact CG1-CG 4.21Å; A578-E608 HydrophobicContact CB-CG 4.06Å; S605-E608 PolarHBondContact O-N 3.38Å; E608-E610 PolarHBondContact O-N 3.32Å; E608-S611 PolarHBondContact O-N 2.92Å; E608-I612 WeakPolarHBondContact O-CG1 3.06Å; E608-I612 PolarHBondContact O-N 2.76Å |
| 609 | L | 94.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | -179.8 | -65.8 | 174.6 | 0 | 0 | 0 | 111.9 | I594 L597 S605 I612 I613 A628 A631 L632 I635 | I594-L609 HydrophobicContact CG2-CD2 4.21Å; L597-L609 HydrophobicContact CD1-CD2 4.42Å; S605-L609 WeakPolarHBondContact O-CG 3.38Å; S605-L609 PolarHBondContact O-N 2.91Å; S605-L609 VanDerWaalsContact O-N 3.14Å; L609-I612 PolarHBondContact O-N 3.21Å; L609-I613 WeakPolarHBondContact O-CB 3.49Å; L609-I613 WeakPolarHBondContact O-CD1 3.39Å; L609-I613 WeakPolarHBondContact O-CG1 3.43Å; L609-I613 PolarHBondContact O-N 3.01Å; L609-A628 HydrophobicContact CD2-CB 4.23Å; L609-A631 HydrophobicContact CD1-CB 3.98Å; L609-A631 HydrophobicContact CD2-CB 3.86Å; L609-L632 HydrophobicContact CB-CD2 4.16Å; L609-L632 HydrophobicContact CD1-CD2 3.94Å; L609-I635 HydrophobicContact CD1-CD1 3.51Å |
| 610 | E | 94.2 | Very high | 88.1 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 176.6 | -176.8 | 170.9 | -160.6 | 0 | 0 | 111.6 | I606 S607 E608 I612 I613 R614 K642 I646 | I606-E610 WeakPolarHBondContact O-CB 3.06Å; I606-E610 PolarHBondContact O-N 2.92Å; S607-E610 PolarHBondContact O-N 3.47Å; E608-E610 PolarHBondContact O-N 3.32Å; E610-I612 VanDerWaalsContact C-N 3.31Å; E610-I612 PolarHBondContact O-N 2.67Å; E610-I613 PolarHBondContact O-N 2.94Å; E610-R614 HydrophobicContact CG-CG 4.09Å; E610-R614 WeakPolarHBondContact O-CB 3.46Å; E610-R614 WeakPolarHBondContact O-CG 3.44Å; E610-R614 PolarHBondContact O-N 3.42Å; E610-R614 IonicContact OE1-CZ 3.68Å; E610-R614 VanDerWaalsContact OE1-CZ 3.28Å; E610-R614 IonicContact OE1-NE 3.06Å; E610-R614 PolarHBondContact OE1-NE 2.75Å; E610-R614 IonicContact OE1-NH2 3.43Å; E610-R614 PolarHBondContact OE1-NH2 3.46Å; E610-K642 VanDerWaalsContact CD-NZ 3.35Å; E610-K642 IonicContact OE1-NZ 2.61Å; E610-K642 PolarHBondContact OE1-NZ 3.41Å; E610-K642 WeakPolarHBondContact OE2-CE 3.29Å; E610-K642 IonicContact OE2-NZ 3.33Å; E610-K642 PolarHBondContact OE2-NZ 3.43Å; E610-I646 HydrophobicContact CB-CD1 4Å; E610-I646 HydrophobicContact CG-CD1 4.01Å; E610-I646 HydrophobicContact CG-CG1 4.13Å |
| 611 | S | 92.5 | Very high | 87.6 | Confident | 36 Ų | 36 | 57.3 Ų | 57.3 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.8 | -44.7 | 175.9 | -176.6 | 0 | 0 | 0 | 0 | 111.8 | S607 E608 N615 Q616 | S607-S611 PolarHBondContact O-N 2.96Å; E608-S611 PolarHBondContact O-N 2.92Å; S611-N615 PolarHBondContact O-N 3.41Å; S611-Q616 PolarHBondContact O-N 2.9Å; S611-Q616 VanDerWaalsContact O-N 3.14Å; S611-Q616 PolarHBondContact OG-OE1 3.13Å |
| 612 | I | 92.3 | Very high | 87.2 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 8% | 0.077 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.4 | -49.4 | 176.9 | -61.7 | 164.3 | 0 | 0 | 0 | 110.8 | L581 I594 E608 L609 E610 R614 N615 I624 R625 A628 | L581-I612 HydrophobicContact CD2-CD1 3.8Å; I594-I612 HydrophobicContact CD1-CD1 4.1Å; I594-I612 HydrophobicContact CG1-CD1 4.22Å; E608-I612 WeakPolarHBondContact O-CG1 3.06Å; E608-I612 PolarHBondContact O-N 2.76Å; L609-I612 PolarHBondContact O-N 3.21Å; E610-I612 VanDerWaalsContact C-N 3.31Å; E610-I612 PolarHBondContact O-N 2.67Å; I612-R614 PolarHBondContact O-N 3.14Å; I612-N615 WeakPolarHBondContact O-CA 3.36Å; I612-N615 PolarHBondContact O-N 2.88Å; I612-I624 HydrophobicContact CG2-CG2 3.74Å; I612-R625 HydrophobicContact CG2-CG 4.41Å; I612-R625 WeakPolarHBondContact O-CG 3.4Å; I612-A628 HydrophobicContact CB-CB 4.07Å; I612-A628 HydrophobicContact CG2-CB 3.65Å |
| 613 | I | 92.2 | Very high | 86.8 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | -177 | -68.2 | 164.9 | 0 | 0 | 0 | 111.5 | L609 E610 N615 A628 I629 L632 I646 A650 | L609-I613 WeakPolarHBondContact O-CB 3.49Å; L609-I613 WeakPolarHBondContact O-CD1 3.39Å; L609-I613 WeakPolarHBondContact O-CG1 3.43Å; L609-I613 PolarHBondContact O-N 3.01Å; E610-I613 PolarHBondContact O-N 2.94Å; I613-N615 PolarHBondContact O-N 3.34Å; I613-A628 HydrophobicContact CD1-CB 4.29Å; I613-A628 HydrophobicContact CG1-CB 3.68Å; I613-I629 HydrophobicContact CD1-CG1 4.09Å; I613-I629 HydrophobicContact CG1-CG1 3.94Å; I613-I629 HydrophobicContact CG2-CD1 4.49Å; I613-I629 HydrophobicContact CG2-CG1 4.12Å; I613-L632 HydrophobicContact CD1-CD1 3.5Å; I613-L632 HydrophobicContact CD1-CD2 4.4Å; I613-L632 HydrophobicContact CD1-CG 4Å; I613-I646 HydrophobicContact CB-CG2 4.38Å; I613-I646 HydrophobicContact CD1-CG2 3.84Å; I613-I646 HydrophobicContact CG2-CG2 3.85Å; I613-A650 HydrophobicContact CG2-CB 4.37Å |
| 614 | R | 88.4 | Confident | 86.7 | Confident | 127 Ų | 127 | 56.5 Ų | 56.5 | 48% | 0.479 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -4.9 | 177 | -69.8 | -175.3 | 178.8 | -95.6 | 1.9 | 113.3 | E610 I612 Q616 | E610-R614 HydrophobicContact CG-CG 4.09Å; E610-R614 WeakPolarHBondContact O-CB 3.46Å; E610-R614 WeakPolarHBondContact O-CG 3.44Å; E610-R614 PolarHBondContact O-N 3.42Å; E610-R614 IonicContact OE1-CZ 3.68Å; E610-R614 VanDerWaalsContact OE1-CZ 3.28Å; E610-R614 IonicContact OE1-NE 3.06Å; E610-R614 PolarHBondContact OE1-NE 2.75Å; E610-R614 IonicContact OE1-NH2 3.43Å; E610-R614 PolarHBondContact OE1-NH2 3.46Å; I612-R614 PolarHBondContact O-N 3.14Å; R614-Q616 VanDerWaalsContact C-N 3.32Å; R614-Q616 HydrophobicContact CB-CG 4.35Å; R614-Q616 PolarHBondContact O-N 3.19Å |
| 615 | N | 83 | Confident | 86.7 | Confident | 41 Ų | 41 | 56 Ų | 56 | 22% | 0.219 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 43.1 | 180 | -158.7 | 39.2 | 0 | 0 | 0 | 112.7 | S611 I612 I613 D617 N620 R625 | S611-N615 PolarHBondContact O-N 3.41Å; I612-N615 WeakPolarHBondContact O-CA 3.36Å; I612-N615 PolarHBondContact O-N 2.88Å; I613-N615 PolarHBondContact O-N 3.34Å; N615-D617 PolarHBondContact O-N 3.48Å; N615-D617 PolarHBondContact OD1-O 3.4Å; N615-N620 WeakPolarHBondContact OD1-CB 3.31Å; N615-N620 PolarHBondContact OD1-O 2.66Å; N615-R625 PolarHBondContact ND2-NH1 3.06Å |
| 616 | Q | 79.2 | Confident | 86.5 | Confident | 134 Ų | 134 | 56.2 Ų | 56.2 | 63% | 0.626 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -59.8 | -39.9 | 177.9 | -70.2 | -179.3 | -14 | 0 | 0 | 110.8 | S611 R614 | S611-Q616 PolarHBondContact O-N 2.9Å; S611-Q616 VanDerWaalsContact O-N 3.14Å; S611-Q616 PolarHBondContact OG-OE1 3.13Å; R614-Q616 VanDerWaalsContact C-N 3.32Å; R614-Q616 HydrophobicContact CB-CG 4.35Å; R614-Q616 PolarHBondContact O-N 3.19Å |
| 617 | D | 75.1 | Confident | 86.4 | Confident | 56 Ų | 56 | 55.4 Ų | 55.4 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -88.6 | 107.8 | 162.7 | -170.7 | -15.2 | 0 | 0 | 0 | 109.9 | N615 R619 N620 | N615-D617 PolarHBondContact O-N 3.48Å; N615-D617 PolarHBondContact OD1-O 3.4Å; D617-R619 PolarHBondContact O-N 3.34Å; D617-R619 WeakPolarHBondContact OD1-CB 3.35Å; D617-R619 VanDerWaalsContact OD1-CG 3.23Å; D617-R619 WeakPolarHBondContact OD1-CG 3.39Å; D617-R619 IonicContact OD1-CZ 3.61Å; D617-R619 PolarHBondContact OD1-N 3.32Å; D617-R619 IonicContact OD1-NE 2.94Å; D617-R619 PolarHBondContact OD1-NE 3.15Å; D617-R619 IonicContact OD2-CZ 3.4Å; D617-R619 VanDerWaalsContact OD2-CZ 3.23Å; D617-R619 IonicContact OD2-NE 3.32Å; D617-R619 PolarHBondContact OD2-NE 3.25Å; D617-R619 IonicContact OD2-NH2 3.86Å; D617-R619 PolarHBondContact OD2-NH2 2.95Å; D617-N620 PolarHBondContact O-N 3.08Å; D617-N620 VanDerWaalsContact O-N 3.07Å; D617-N620 PolarHBondContact O-ND2 3.15Å |
| 618 | R | 74.9 | Confident | 86.5 | Confident | 220 Ų | 220 | 52.3 Ų | 52.3 | 83% | 0.83 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -8.9 | 179.5 | -68.2 | -172.9 | 177 | -174 | 0.5 | 113.8 | N620 | R618-N620 VanDerWaalsContact C-N 3.33Š|
| 619 | R | 71.9 | Confident | 86.5 | Confident | 184 Ų | 184 | 48.9 Ų | 48.9 | 69% | 0.694 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -17.9 | 174.5 | -61.7 | 178 | -69.3 | 176.9 | 1.8 | 113 | D617 P621 | D617-R619 PolarHBondContact O-N 3.34Å; D617-R619 WeakPolarHBondContact OD1-CB 3.35Å; D617-R619 VanDerWaalsContact OD1-CG 3.23Å; D617-R619 WeakPolarHBondContact OD1-CG 3.39Å; D617-R619 IonicContact OD1-CZ 3.61Å; D617-R619 PolarHBondContact OD1-N 3.32Å; D617-R619 IonicContact OD1-NE 2.94Å; D617-R619 PolarHBondContact OD1-NE 3.15Å; D617-R619 IonicContact OD2-CZ 3.4Å; D617-R619 VanDerWaalsContact OD2-CZ 3.23Å; D617-R619 IonicContact OD2-NE 3.32Å; D617-R619 PolarHBondContact OD2-NE 3.25Å; D617-R619 IonicContact OD2-NH2 3.86Å; D617-R619 PolarHBondContact OD2-NH2 2.95Å; R619-P621 WeakPolarHBondContact O-CD 3.42Å |
| 620 | N | 78.7 | Confident | 86.4 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | trans | -67.5 | 115.4 | -176 | -75.7 | -41.5 | 0 | 0 | 0 | 112.3 | N615 D617 R618 R625 | N615-N620 WeakPolarHBondContact OD1-CB 3.31Å; N615-N620 PolarHBondContact OD1-O 2.66Å; D617-N620 PolarHBondContact O-N 3.08Å; D617-N620 VanDerWaalsContact O-N 3.07Å; D617-N620 PolarHBondContact O-ND2 3.15Å; R618-N620 VanDerWaalsContact C-N 3.33Å; N620-R625 HydrophobicContact CB-CG 4.28Å | ||
| 621 | P | 82.5 | Confident | 86.4 | Confident | 60 Ų | 60 | 48.1 Ų | 48.1 | 39% | 0.39 | 22% | 0.224 | S | C | . | . | trans | -64.5 | 153.7 | 177.1 | -20.6 | 33.5 | 0 | 0 | 0 | 112 | R619 A623 I624 R625 | R619-P621 WeakPolarHBondContact O-CD 3.42Å; P621-A623 PolarHBondContact O-N 3.45Å; P621-A623 VanDerWaalsContact O-N 3.08Å; P621-I624 HydrophobicContact CG-CG1 4.35Å; P621-I624 PolarHBondContact O-N 3.38Å; P621-R625 PolarHBondContact O-N 3.06Å | ||
| 622 | A | 83.7 | Confident | 86.5 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 27% | 0.273 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -53.5 | -33.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R625 L626 V660 | A622-R625 PolarHBondContact O-N 3.43Å; A622-L626 WeakPolarHBondContact O-CB 3.13Å; A622-L626 PolarHBondContact O-N 3.26Å; A622-V660 HydrophobicContact CB-CG2 4.42Å; A622-V660 WeakPolarHBondContact O-CG2 3.04Å |
| 623 | A | 83.8 | Confident | 86.5 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 13% | 0.132 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | P621 L626 E627 W854 | P621-A623 PolarHBondContact O-N 3.45Å; P621-A623 VanDerWaalsContact O-N 3.08Å; A623-L626 WeakPolarHBondContact O-CB 3.29Å; A623-L626 PolarHBondContact O-N 2.76Å; A623-E627 VanDerWaalsContact O-CG 3.32Å; A623-E627 WeakPolarHBondContact O-CG 3.45Å; A623-E627 PolarHBondContact O-N 2.69Å; A623-E627 VanDerWaalsContact O-N 3.09Å; A623-W854 HydrophobicContact CB-CH2 3.8Å; A623-W854 HydrophobicContact CB-CZ3 4.29Å |
| 624 | I | 88.7 | Confident | 86.3 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.7 | -40 | 177.4 | -68.7 | -60.3 | 0 | 0 | 0 | 110.8 | W587 Q590 V591 I594 I612 P621 E627 A628 | W587-I624 HydrophobicContact CG-CD1 4.47Å; Q590-I624 HydrophobicContact CB-CD1 3.82Å; V591-I624 HydrophobicContact CG2-CD1 3.65Å; I594-I624 HydrophobicContact CD1-CG2 3.65Å; I612-I624 HydrophobicContact CG2-CG2 3.74Å; P621-I624 HydrophobicContact CG-CG1 4.35Å; P621-I624 PolarHBondContact O-N 3.38Å; I624-E627 PolarHBondContact O-N 2.96Å; I624-A628 PolarHBondContact O-N 2.87Å |
| 625 | R | 91.1 | Very high | 86.4 | Confident | 29 Ų | 29 | 40.1 Ų | 40.1 | 11% | 0.109 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.2 | -38.3 | 176 | -60.2 | -170.7 | -67 | 171.6 | -0.6 | 112.4 | I612 N615 N620 P621 A622 A628 I629 E656 | I612-R625 HydrophobicContact CG2-CG 4.41Å; I612-R625 WeakPolarHBondContact O-CG 3.4Å; N615-R625 PolarHBondContact ND2-NH1 3.06Å; N620-R625 HydrophobicContact CB-CG 4.28Å; P621-R625 PolarHBondContact O-N 3.06Å; A622-R625 PolarHBondContact O-N 3.43Å; R625-A628 PolarHBondContact O-N 2.88Å; R625-I629 WeakPolarHBondContact O-CG1 3.34Å; R625-I629 PolarHBondContact O-N 3.02Å; R625-E656 VanDerWaalsContact CZ-CD 3.42Å; R625-E656 IonicContact CZ-OE1 3.38Å; R625-E656 IonicContact CZ-OE2 2.96Å; R625-E656 IonicContact NE-OE1 3.06Å; R625-E656 IonicContact NE-OE2 3.91Å; R625-E656 IonicContact NH1-OE1 2.74Å; R625-E656 IonicContact NH1-OE2 2.84Å; R625-E656 PolarHBondContact NH1-OE2 2.8Å; R625-E656 VanDerWaalsContact NH2-CD 3.26Å; R625-E656 IonicContact NH2-OE1 3.63Å; R625-E656 PolarHBondContact NH2-OE1 2.79Å; R625-E656 IonicContact NH2-OE2 3.95Å; R625-E656 PolarHBondContact NH2-OE2 2.75Å; R625-E656 VanDerWaalsContact NH2-OE2 3.17Å |
| 626 | L | 90.5 | Very high | 86.5 | Confident | 6 Ų | 6 | 38.9 Ų | 38.9 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.6 | -48.3 | 171.4 | 176.1 | 66.5 | 0 | 0 | 0 | 110.9 | A622 A623 A628 I629 L630 V660 A663 F769 W854 | A622-L626 WeakPolarHBondContact O-CB 3.13Å; A622-L626 PolarHBondContact O-N 3.26Å; A623-L626 WeakPolarHBondContact O-CB 3.29Å; A623-L626 PolarHBondContact O-N 2.76Å; L626-A628 VanDerWaalsContact C-N 3.34Å; L626-A628 PolarHBondContact O-N 3.39Å; L626-I629 PolarHBondContact O-N 2.84Å; L626-L630 HydrophobicContact CG-CD1 4.33Å; L626-L630 WeakPolarHBondContact O-CG 2.93Å; L626-L630 PolarHBondContact O-N 2.74Å; L626-V660 HydrophobicContact CB-CG2 4.06Å; L626-A663 HydrophobicContact CD1-CB 3.38Å; L626-F769 HydrophobicContact CD2-CB 3.91Å; L626-F769 HydrophobicContact CD2-CD2 4.08Å; L626-F769 HydrophobicContact CD2-CG 3.95Å; L626-W854 HydrophobicContact CD2-CZ2 4.5Å |
| 627 | E | 90.7 | Very high | 86.4 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.3 | -39.9 | 177.6 | -67.2 | -67 | 150.1 | 0 | 0 | 111.9 | V591 I594 R595 A623 I624 L630 A631 W854 | V591-E627 HydrophobicContact CG1-CG 4.2Å; V591-E627 HydrophobicContact CG2-CG 4.43Å; I594-E627 HydrophobicContact CG2-CB 4.1Å; R595-E627 IonicContact CZ-OE1 2.94Å; R595-E627 IonicContact CZ-OE2 2.72Å; R595-E627 IonicContact NE-OE1 2.79Å; R595-E627 IonicContact NE-OE2 2.81Å; R595-E627 PolarHBondContact NE-OE2 2.8Å; R595-E627 VanDerWaalsContact NH2-CD 3.25Å; R595-E627 IonicContact NH2-OE1 3.2Å; R595-E627 PolarHBondContact NH2-OE1 3.28Å; R595-E627 IonicContact NH2-OE2 3.76Å; R595-E627 PolarHBondContact NH2-OE2 2.77Å; A623-E627 VanDerWaalsContact O-CG 3.32Å; A623-E627 WeakPolarHBondContact O-CG 3.45Å; A623-E627 PolarHBondContact O-N 2.69Å; A623-E627 VanDerWaalsContact O-N 3.09Å; I624-E627 PolarHBondContact O-N 2.96Å; E627-L630 PolarHBondContact O-N 3.21Å; E627-A631 PolarHBondContact O-N 2.78Å; E627-W854 PolarHBondContact OE1-NE1 2.93Å |
| 628 | A | 94.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.3 | -38.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I594 L609 I612 I613 I624 R625 L626 A631 | I594-A628 HydrophobicContact CG2-CB 4.33Å; L609-A628 HydrophobicContact CD2-CB 4.23Å; I612-A628 HydrophobicContact CB-CB 4.07Å; I612-A628 HydrophobicContact CG2-CB 3.65Å; I613-A628 HydrophobicContact CD1-CB 4.29Å; I613-A628 HydrophobicContact CG1-CB 3.68Å; I624-A628 PolarHBondContact O-N 2.87Å; R625-A628 PolarHBondContact O-N 2.88Å; L626-A628 VanDerWaalsContact C-N 3.34Å; L626-A628 PolarHBondContact O-N 3.39Å; A628-A631 WeakPolarHBondContact O-CB 3.34Å; A628-A631 PolarHBondContact O-N 2.96Å |
| 629 | I | 94.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.2 | -51.1 | 170.5 | -72.5 | -174.9 | 0 | 0 | 0 | 110 | I613 R625 L626 A631 L632 L647 A650 V660 A663 A664 M667 | I613-I629 HydrophobicContact CD1-CG1 4.09Å; I613-I629 HydrophobicContact CG1-CG1 3.94Å; I613-I629 HydrophobicContact CG2-CD1 4.49Å; I613-I629 HydrophobicContact CG2-CG1 4.12Å; R625-I629 WeakPolarHBondContact O-CG1 3.34Å; R625-I629 PolarHBondContact O-N 3.02Å; L626-I629 PolarHBondContact O-N 2.84Å; I629-A631 PolarHBondContact O-N 3.17Å; I629-L632 WeakPolarHBondContact O-CB 3.46Å; I629-L632 PolarHBondContact O-N 3.46Å; I629-L647 HydrophobicContact CG2-CD2 3.85Å; I629-A650 HydrophobicContact CD1-CB 3.8Å; I629-V660 HydrophobicContact CD1-CG1 3.33Å; I629-V660 HydrophobicContact CG1-CG1 4.5Å; I629-A663 HydrophobicContact CG2-CB 4.29Å; I629-A664 HydrophobicContact CD1-CB 4.19Å; I629-M667 VanDerWaalsContact C-SD 3.59Å; I629-M667 HydrophobicContact CG2-SD 3.48Å; I629-M667 WeakPolarHBondContact CG2-SD 3.24Å; I629-M667 WeakPolarHBondContact O-CE 3.18Å |
| 630 | L | 92.4 | Very high | 88.3 | Confident | 8 Ų | 8 | 23.8 Ų | 23.8 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.1 | -23.2 | 179.8 | -64.5 | 175.8 | 0 | 0 | 0 | 113.5 | L626 E627 L632 R633 M667 F769 | L626-L630 HydrophobicContact CG-CD1 4.33Å; L626-L630 WeakPolarHBondContact O-CG 2.93Å; L626-L630 PolarHBondContact O-N 2.74Å; E627-L630 PolarHBondContact O-N 3.21Å; L630-L632 VanDerWaalsContact C-N 3.3Å; L630-R633 WeakPolarHBondContact O-CB 3.49Å; L630-R633 WeakPolarHBondContact O-CG 3.49Å; L630-R633 PolarHBondContact O-NH1 2.77Å; L630-R633 VanDerWaalsContact O-NH1 3.11Å; L630-M667 HydrophobicContact CD2-SD 4.4Å; L630-F769 HydrophobicContact CD1-CE1 4.1Å; L630-F769 HydrophobicContact CD1-CE2 4.22Å; L630-F769 HydrophobicContact CD1-CZ 3.65Å |
| 631 | A | 94.8 | Very high | 88.8 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.2 | -22.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I594 G598 L609 E627 A628 I629 R633 | I594-A631 HydrophobicContact CG2-CB 4Å; G598-A631 WeakPolarHBondContact CA-O 3.4Å; L609-A631 HydrophobicContact CD1-CB 3.98Å; L609-A631 HydrophobicContact CD2-CB 3.86Å; E627-A631 PolarHBondContact O-N 2.78Å; A628-A631 WeakPolarHBondContact O-CB 3.34Å; A628-A631 PolarHBondContact O-N 2.96Å; I629-A631 PolarHBondContact O-N 3.17Å; A631-R633 PolarHBondContact O-N 2.71Å; A631-R633 VanDerWaalsContact O-N 3.13Å |
| 632 | L | 94.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -4.2 | 177.8 | -60.6 | 177.1 | 0 | 0 | 0 | 114.2 | I606 L609 I613 I629 L630 H634 I635 K636 T643 I646 L647 M667 | I606-L632 HydrophobicContact CD1-CD2 3.54Å; L609-L632 HydrophobicContact CB-CD2 4.16Å; L609-L632 HydrophobicContact CD1-CD2 3.94Å; I613-L632 HydrophobicContact CD1-CD1 3.5Å; I613-L632 HydrophobicContact CD1-CD2 4.4Å; I613-L632 HydrophobicContact CD1-CG 4Å; I629-L632 WeakPolarHBondContact O-CB 3.46Å; I629-L632 PolarHBondContact O-N 3.46Å; L630-L632 VanDerWaalsContact C-N 3.3Å; L632-H634 PolarHBondContact O-N 3.22Å; L632-I635 HydrophobicContact CD2-CD1 4.18Å; L632-I635 PolarHBondContact O-N 3.47Å; L632-K636 PolarHBondContact O-N 3.44Å; L632-T643 HydrophobicContact CB-CG2 3.89Å; L632-T643 HydrophobicContact CD1-CG2 4.1Å; L632-T643 HydrophobicContact CG-CG2 4.47Å; L632-I646 HydrophobicContact CD1-CG2 3.93Å; L632-L647 HydrophobicContact CD1-CD2 4.01Å; L632-L647 HydrophobicContact CD1-CG 4.38Å; L632-M667 HydrophobicContact CB-CE 3.71Å |
| 633 | R | 90.6 | Very high | 89.7 | Confident | 17 Ų | 17 | 27 Ų | 27 | 6% | 0.064 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.4 | -172.7 | 69.9 | -179.3 | 177.1 | -84.9 | 1.9 | 115 | G598 N599 L630 A631 K636 M667 N861 D863 | G598-R633 PolarHBondContact O-NH2 2.87Å; N599-R633 PolarHBondContact OD1-NH2 3.41Å; L630-R633 WeakPolarHBondContact O-CB 3.49Å; L630-R633 WeakPolarHBondContact O-CG 3.49Å; L630-R633 PolarHBondContact O-NH1 2.77Å; L630-R633 VanDerWaalsContact O-NH1 3.11Å; A631-R633 PolarHBondContact O-N 2.71Å; A631-R633 VanDerWaalsContact O-N 3.13Å; R633-K636 WeakPolarHBondContact O-CE 3.48Å; R633-K636 WeakPolarHBondContact O-CG 3.47Å; R633-M667 HydrophobicContact CB-CE 4.36Å; R633-N861 PolarHBondContact NE-O 3.15Å; R633-D863 IonicContact CZ-OD2 3.89Å; R633-D863 VanDerWaalsContact CZ-OD2 3.32Å; R633-D863 IonicContact NH1-OD2 2.78Å; R633-D863 PolarHBondContact NH1-OD2 3.36Å; R633-D863 IonicContact NH2-OD2 2.89Å; R633-D863 PolarHBondContact NH2-OD2 3.23Å |
| 634 | H | 88.4 | Confident | 90.2 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.019 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -32 | -176.9 | -79.5 | -25.6 | 0 | 0 | 0 | 112 | R533 G598 N599 L632 K636 D637 N861 Q862 | R533-H634 VanDerWaalsContact CZ-ND1 3.27Å; R533-H634 PolarHBondContact NH1-ND1 2.86Å; R533-H634 VanDerWaalsContact NH1-ND1 3.19Å; G598-H634 PolarHBondContact O-CD2 3.48Å; N599-H634 PolarHBondContact O-CD2 2.7Å; L632-H634 PolarHBondContact O-N 3.22Å; H634-K636 PolarHBondContact O-N 3.28Å; H634-D637 PolarHBondContact O-N 2.92Å; H634-N861 PolarHBondContact CE1-ND2 3.32Å; H634-N861 PolarHBondContact CE1-O 3.14Å; H634-N861 PolarHBondContact NE2-O 2.92Å; H634-N861 VanDerWaalsContact NE2-O 3.11Å; H634-Q862 PolarHBondContact NE2-NE2 2.98Å |
| 635 | I | 90.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -67.8 | -26.6 | 177.9 | -61 | 173.7 | 0 | 0 | 0 | 111.4 | I606 L609 L632 D637 S638 L639 | I606-I635 HydrophobicContact CD1-CG2 4.1Å; L609-I635 HydrophobicContact CD1-CD1 3.51Å; L632-I635 HydrophobicContact CD2-CD1 4.18Å; L632-I635 PolarHBondContact O-N 3.47Å; I635-D637 PolarHBondContact O-N 3.23Å; I635-S638 PolarHBondContact O-N 2.57Å; I635-S638 VanDerWaalsContact O-N 3.09Å; I635-S638 PolarHBondContact O-OG 2.86Å; I635-S638 VanDerWaalsContact O-OG 3.06Å; I635-L639 HydrophobicContact CG2-CB 4.15Å; I635-L639 HydrophobicContact CG2-CD1 4.14Å; I635-L639 HydrophobicContact CG2-CG 4.43Å; I635-L639 PolarHBondContact O-N 3.48Å |
| 636 | K | 84.9 | Confident | 90.6 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 7% | 0.065 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -55.7 | -24.7 | 173.7 | 63.2 | 165.4 | 173.2 | -171.8 | 0 | 114.6 | L632 R633 H634 P640 T643 Q670 Q671 | L632-K636 PolarHBondContact O-N 3.44Å; R633-K636 WeakPolarHBondContact O-CE 3.48Å; R633-K636 WeakPolarHBondContact O-CG 3.47Å; H634-K636 PolarHBondContact O-N 3.28Å; K636-P640 VanDerWaalsContact O-CA 3.25Å; K636-P640 WeakPolarHBondContact O-CA 3.08Å; K636-P640 WeakPolarHBondContact O-CB 3.24Å; K636-T643 HydrophobicContact CB-CG2 4.07Å; K636-Q670 PolarHBondContact NZ-O 3.28Å; K636-Q670 VanDerWaalsContact NZ-O 3.09Å; K636-Q671 HydrophobicContact CB-CG 4.05Å; K636-Q671 VanDerWaalsContact CB-NE2 3.3Å; K636-Q671 HydrophobicContact CD-CG 3.39Å; K636-Q671 HydrophobicContact CG-CG 4.38Å |
| 637 | D | 78.5 | Confident | 90.8 | Very high | 84 Ų | 84 | 29.5 Ų | 29.5 | 45% | 0.449 | 16% | 0.156 | S | C | . | . | G | 310 helix | trans | -79.5 | -28.3 | -178.8 | -59.3 | -28.1 | 0 | 0 | 0 | 111.6 | R533 H634 I635 | R533-D637 IonicContact NH2-OD2 2.71Å; R533-D637 PolarHBondContact NH2-OD2 3.23Å; H634-D637 PolarHBondContact O-N 2.92Å; I635-D637 PolarHBondContact O-N 3.23Å |
| 638 | S | 82.4 | Confident | 90.9 | Very high | 61 Ų | 61 | 30.3 Ų | 30.3 | 43% | 0.427 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -36.7 | 178.1 | 56 | 0 | 0 | 0 | 0 | 113 | I635 P640 | I635-S638 PolarHBondContact O-N 2.57Å; I635-S638 VanDerWaalsContact O-N 3.09Å; I635-S638 PolarHBondContact O-OG 2.86Å; I635-S638 VanDerWaalsContact O-OG 3.06Å; S638-P640 VanDerWaalsContact C-CD 3.47Å |
| 639 | L | 89.6 | Confident | 90.8 | Very high | 54 Ų | 54 | 33 Ų | 33 | 28% | 0.283 | 18% | 0.179 | S | C | . | . | trans | -127.1 | 62.2 | -178 | -61.6 | 177.9 | 0 | 0 | 0 | 111.7 | D603 I606 I635 Q641 K642 T643 | D603-L639 HydrophobicContact CB-CD1 3.94Å; D603-L639 HydrophobicContact CB-CG 4.16Å; I606-L639 HydrophobicContact CB-CD1 4.16Å; I606-L639 HydrophobicContact CG1-CD1 4.38Å; I606-L639 HydrophobicContact CG2-CD1 4.02Å; I635-L639 HydrophobicContact CG2-CB 4.15Å; I635-L639 HydrophobicContact CG2-CD1 4.14Å; I635-L639 HydrophobicContact CG2-CG 4.43Å; I635-L639 PolarHBondContact O-N 3.48Å; L639-Q641 PolarHBondContact O-N 3.1Å; L639-K642 HydrophobicContact CB-CB 4.25Å; L639-K642 PolarHBondContact O-N 2.87Å; L639-T643 WeakPolarHBondContact O-CB 3.44Å; L639-T643 PolarHBondContact O-N 3.39Å; L639-T643 PolarHBondContact O-OG1 3.26Å | ||
| 640 | P | 87.8 | Confident | 90.8 | Very high | 79 Ų | 79 | 33.4 Ų | 33.4 | 51% | 0.513 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.4 | -47.7 | -173.1 | 21.4 | -32.6 | 0 | 0 | 0 | 112.7 | K636 S638 T643 K644 | K636-P640 VanDerWaalsContact O-CA 3.25Å; K636-P640 WeakPolarHBondContact O-CA 3.08Å; K636-P640 WeakPolarHBondContact O-CB 3.24Å; S638-P640 VanDerWaalsContact C-CD 3.47Å; P640-T643 PolarHBondContact O-N 2.8Å; P640-K644 VanDerWaalsContact O-CB 3.28Å; P640-K644 WeakPolarHBondContact O-CB 3.26Å; P640-K644 PolarHBondContact O-N 3.28Å |
| 641 | Q | 90.1 | Very high | 90.8 | Very high | 105 Ų | 105 | 33 Ų | 33 | 49% | 0.491 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -69.1 | -42.8 | -176 | -172.5 | 61.9 | 14.8 | 0 | 0 | 112.9 | L639 K644 N645 | L639-Q641 PolarHBondContact O-N 3.1Å; Q641-K644 WeakPolarHBondContact O-CB 3.49Å; Q641-K644 PolarHBondContact O-N 2.98Å; Q641-N645 VanDerWaalsContact O-CG 3.27Å; Q641-N645 PolarHBondContact O-N 3.19Å; Q641-N645 PolarHBondContact O-OD1 2.98Å |
| 642 | K | 93 | Very high | 90.7 | Very high | 83 Ų | 83 | 35.5 Ų | 35.5 | 36% | 0.361 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 177 | -177.9 | 64.4 | 173.2 | 172.7 | 0 | 110.8 | I606 E610 L639 N645 I646 | I606-K642 HydrophobicContact CG1-CG 4.05Å; E610-K642 VanDerWaalsContact CD-NZ 3.35Å; E610-K642 IonicContact OE1-NZ 2.61Å; E610-K642 PolarHBondContact OE1-NZ 3.41Å; E610-K642 WeakPolarHBondContact OE2-CE 3.29Å; E610-K642 IonicContact OE2-NZ 3.33Å; E610-K642 PolarHBondContact OE2-NZ 3.43Å; L639-K642 HydrophobicContact CB-CB 4.25Å; L639-K642 PolarHBondContact O-N 2.87Å; K642-N645 PolarHBondContact O-N 3.45Å; K642-I646 HydrophobicContact CG-CD1 4.24Å; K642-I646 WeakPolarHBondContact O-CG1 3.16Å; K642-I646 PolarHBondContact O-N 2.91Å; K642-I646 VanDerWaalsContact O-N 3.15Å |
| 643 | T | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 177.1 | -52 | 0 | 0 | 0 | 0 | 111.4 | L632 K636 L639 P640 N645 I646 L647 Q671 | L632-T643 HydrophobicContact CB-CG2 3.89Å; L632-T643 HydrophobicContact CD1-CG2 4.1Å; L632-T643 HydrophobicContact CG-CG2 4.47Å; K636-T643 HydrophobicContact CB-CG2 4.07Å; L639-T643 WeakPolarHBondContact O-CB 3.44Å; L639-T643 PolarHBondContact O-N 3.39Å; L639-T643 PolarHBondContact O-OG1 3.26Å; P640-T643 PolarHBondContact O-N 2.8Å; T643-N645 VanDerWaalsContact C-N 3.34Å; T643-N645 PolarHBondContact O-N 2.66Å; T643-I646 PolarHBondContact O-N 2.82Å; T643-L647 HydrophobicContact CG2-CD1 3.99Å; T643-L647 HydrophobicContact CG2-CG 4.31Å; T643-L647 VanDerWaalsContact O-CG 3.31Å; T643-L647 WeakPolarHBondContact O-CG 3.27Å; T643-L647 PolarHBondContact O-N 3.27Å; T643-Q671 VanDerWaalsContact CG2-NE2 3.34Å |
| 644 | K | 93 | Very high | 90.4 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 12% | 0.122 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.7 | -48.1 | 175.6 | -173.4 | 176.8 | 96.5 | -176.4 | 0 | 111.6 | P640 Q641 I646 L647 L648 L668 D674 T677 | P640-K644 VanDerWaalsContact O-CB 3.28Å; P640-K644 WeakPolarHBondContact O-CB 3.26Å; P640-K644 PolarHBondContact O-N 3.28Å; Q641-K644 WeakPolarHBondContact O-CB 3.49Å; Q641-K644 PolarHBondContact O-N 2.98Å; K644-I646 PolarHBondContact O-N 3.13Å; K644-L647 PolarHBondContact O-N 2.93Å; K644-L648 HydrophobicContact CG-CD1 3.96Å; K644-L648 WeakPolarHBondContact O-CB 3.4Å; K644-L648 WeakPolarHBondContact O-CG 3.1Å; K644-L648 PolarHBondContact O-N 2.79Å; K644-L668 HydrophobicContact CG-CD2 4.11Å; K644-D674 IonicContact NZ-OD2 2.9Å; K644-D674 PolarHBondContact NZ-OD2 2.99Å; K644-T677 HydrophobicContact CD-CG2 4.38Å; K644-T677 WeakPolarHBondContact CD-OG1 3.49Å; K644-T677 HydrophobicContact CG-CG2 4.41Å |
| 645 | N | 93.7 | Very high | 90.2 | Very high | 75 Ų | 75 | 53.2 Ų | 53.2 | 40% | 0.401 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 179.3 | -67.7 | -6.8 | 0 | 0 | 0 | 112.6 | Q641 K642 T643 S649 | Q641-N645 VanDerWaalsContact O-CG 3.27Å; Q641-N645 PolarHBondContact O-N 3.19Å; Q641-N645 PolarHBondContact O-OD1 2.98Å; K642-N645 PolarHBondContact O-N 3.45Å; T643-N645 VanDerWaalsContact C-N 3.34Å; T643-N645 PolarHBondContact O-N 2.66Å; N645-S649 WeakPolarHBondContact O-CB 3.49Å; N645-S649 PolarHBondContact O-N 3.44Å |
| 646 | I | 94.2 | Very high | 90 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.2 | -46.7 | 177.1 | -67.7 | 163.9 | 0 | 0 | 0 | 110.5 | I606 E610 I613 L632 K642 T643 K644 S649 A650 | I606-I646 HydrophobicContact CD1-CD1 3.55Å; I606-I646 HydrophobicContact CG1-CD1 3.97Å; E610-I646 HydrophobicContact CB-CD1 4Å; E610-I646 HydrophobicContact CG-CD1 4.01Å; E610-I646 HydrophobicContact CG-CG1 4.13Å; I613-I646 HydrophobicContact CB-CG2 4.38Å; I613-I646 HydrophobicContact CD1-CG2 3.84Å; I613-I646 HydrophobicContact CG2-CG2 3.85Å; L632-I646 HydrophobicContact CD1-CG2 3.93Å; K642-I646 HydrophobicContact CG-CD1 4.24Å; K642-I646 WeakPolarHBondContact O-CG1 3.16Å; K642-I646 PolarHBondContact O-N 2.91Å; K642-I646 VanDerWaalsContact O-N 3.15Å; T643-I646 PolarHBondContact O-N 2.82Å; K644-I646 PolarHBondContact O-N 3.13Å; I646-S649 PolarHBondContact O-N 3.07Å; I646-A650 PolarHBondContact O-N 2.77Å |
| 647 | L | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.1 | -40.2 | -179.1 | -65.9 | 173.5 | 0 | 0 | 0 | 112.5 | I629 L632 T643 K644 S649 A650 A651 A664 M667 L668 Q671 | I629-L647 HydrophobicContact CG2-CD2 3.85Å; L632-L647 HydrophobicContact CD1-CD2 4.01Å; L632-L647 HydrophobicContact CD1-CG 4.38Å; T643-L647 HydrophobicContact CG2-CD1 3.99Å; T643-L647 HydrophobicContact CG2-CG 4.31Å; T643-L647 VanDerWaalsContact O-CG 3.31Å; T643-L647 WeakPolarHBondContact O-CG 3.27Å; T643-L647 PolarHBondContact O-N 3.27Å; K644-L647 PolarHBondContact O-N 2.93Å; L647-S649 VanDerWaalsContact C-N 3.32Å; L647-S649 PolarHBondContact O-N 2.58Å; L647-A650 PolarHBondContact O-N 2.89Å; L647-A651 WeakPolarHBondContact O-CB 3.35Å; L647-A651 PolarHBondContact O-N 3.23Å; L647-A664 HydrophobicContact CD2-CB 4.39Å; L647-M667 HydrophobicContact CD1-CB 3.76Å; L647-M667 HydrophobicContact CD1-CE 4.47Å; L647-M667 HydrophobicContact CD2-CB 4.1Å; L647-M667 HydrophobicContact CD2-CE 4.36Å; L647-M667 HydrophobicContact CD2-SD 4.25Å; L647-L668 HydrophobicContact CB-CD1 4.13Å; L647-L668 HydrophobicContact CB-CD2 3.72Å; L647-L668 HydrophobicContact CB-CG 3.68Å; L647-L668 HydrophobicContact CD1-CD2 4.15Å; L647-L668 HydrophobicContact CD1-CG 4.19Å; L647-Q671 VanDerWaalsContact CD1-NE2 3.25Å |
| 648 | L | 93.6 | Very high | 90.5 | Very high | 21 Ų | 21 | 50.2 Ų | 50.2 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 174.4 | -79.3 | 168.3 | 0 | 0 | 0 | 111.2 | K644 A650 A651 A652 L668 T677 Q680 I684 | K644-L648 HydrophobicContact CG-CD1 3.96Å; K644-L648 WeakPolarHBondContact O-CB 3.4Å; K644-L648 WeakPolarHBondContact O-CG 3.1Å; K644-L648 PolarHBondContact O-N 2.79Å; L648-A650 PolarHBondContact O-N 3.35Å; L648-A651 PolarHBondContact O-N 3.27Å; L648-A652 VanDerWaalsContact O-CB 3.27Å; L648-A652 WeakPolarHBondContact O-CB 3.47Å; L648-A652 PolarHBondContact O-N 3.31Å; L648-L668 HydrophobicContact CD2-CD1 3.81Å; L648-L668 HydrophobicContact CD2-CD2 4.48Å; L648-L668 HydrophobicContact CG-CD1 4.07Å; L648-L668 HydrophobicContact CG-CD2 4.08Å; L648-T677 HydrophobicContact CD2-CG2 4.35Å; L648-Q680 VanDerWaalsContact CD1-OE1 3.25Å; L648-Q680 HydrophobicContact CD2-CB 4.39Å; L648-I684 HydrophobicContact CD2-CD1 4.44Å |
| 649 | S | 93.6 | Very high | 90.7 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.9 | -44.2 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | N645 I646 L647 N653 | N645-S649 WeakPolarHBondContact O-CB 3.49Å; N645-S649 PolarHBondContact O-N 3.44Å; I646-S649 PolarHBondContact O-N 3.07Å; L647-S649 VanDerWaalsContact C-N 3.32Å; L647-S649 PolarHBondContact O-N 2.58Å; S649-N653 WeakPolarHBondContact O-CB 3.29Å; S649-N653 PolarHBondContact O-N 2.87Å; S649-N653 VanDerWaalsContact O-N 3.13Å |
| 650 | A | 92.9 | Very high | 90.7 | Very high | 9 Ų | 9 | 45 Ų | 45 | 7% | 0.074 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.2 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I613 I629 I646 L647 L648 A664 | I613-A650 HydrophobicContact CG2-CB 4.37Å; I629-A650 HydrophobicContact CD1-CB 3.8Å; I646-A650 PolarHBondContact O-N 2.77Å; L647-A650 PolarHBondContact O-N 2.89Å; L648-A650 PolarHBondContact O-N 3.35Å; A650-A664 HydrophobicContact CB-CB 3.98Å |
| 651 | A | 93.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.1 | -42.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L647 L648 R661 A664 I665 L668 I684 | L647-A651 WeakPolarHBondContact O-CB 3.35Å; L647-A651 PolarHBondContact O-N 3.23Å; L648-A651 PolarHBondContact O-N 3.27Å; A651-R661 PolarHBondContact O-NE 3.22Å; A651-R661 VanDerWaalsContact O-NE 3.15Å; A651-R661 PolarHBondContact O-NH2 3.33Å; A651-R661 VanDerWaalsContact O-NH2 3.13Å; A651-A664 HydrophobicContact CB-CB 4.09Å; A651-I665 HydrophobicContact CB-CG1 3.81Å; A651-L668 HydrophobicContact CB-CD1 4.36Å; A651-I684 HydrophobicContact CB-CD1 4.2Å |
| 652 | A | 92.1 | Very high | 91 | Very high | 52 Ų | 52 | 36.5 Ų | 36.5 | 43% | 0.43 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -77.2 | -20.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L648 R654 I684 | L648-A652 VanDerWaalsContact O-CB 3.27Å; L648-A652 WeakPolarHBondContact O-CB 3.47Å; L648-A652 PolarHBondContact O-N 3.31Å; A652-R654 PolarHBondContact O-N 3.4Å; A652-I684 HydrophobicContact CB-CD1 4.11Å; A652-I684 HydrophobicContact CB-CG1 4.3Å |
| 653 | N | 90.2 | Very high | 91 | Very high | 67 Ų | 67 | 32.6 Ų | 32.6 | 36% | 0.358 | 17% | 0.172 | S | C | . | . | trans | -70.4 | 101.5 | -179.4 | -175.4 | 1.5 | 0 | 0 | 0 | 111.7 | S649 M655 E656 R661 | S649-N653 WeakPolarHBondContact O-CB 3.29Å; S649-N653 PolarHBondContact O-N 2.87Å; S649-N653 VanDerWaalsContact O-N 3.13Å; N653-M655 PolarHBondContact O-N 3.16Å; N653-M655 WeakPolarHBondContact OD1-CB 3.48Å; N653-M655 PolarHBondContact OD1-N 3.4Å; N653-M655 VanDerWaalsContact OD1-N 3.08Å; N653-E656 HydrophobicContact CB-CB 4.08Å; N653-E656 WeakPolarHBondContact O-CB 3.39Å; N653-E656 PolarHBondContact O-N 2.98Å; N653-E656 VanDerWaalsContact O-N 3.15Å; N653-R661 VanDerWaalsContact O-CD 3.29Å; N653-R661 WeakPolarHBondContact O-CD 3.3Å; N653-R661 PolarHBondContact O-NE 3.15Å | ||
| 654 | R | 88.2 | Confident | 91.1 | Very high | 152 Ų | 152 | 32.6 Ų | 32.6 | 57% | 0.574 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.4 | -179.2 | -62.2 | 178.6 | -178.3 | 176.7 | 3.1 | 114.1 | A652 E656 H687 P689 | A652-R654 PolarHBondContact O-N 3.4Å; R654-E656 VanDerWaalsContact C-N 3.28Å; R654-H687 PolarHBondContact NH2-O 3.35Å; R654-H687 VanDerWaalsContact NH2-O 3.13Å; R654-P689 HydrophobicContact CB-CG 4.14Å; R654-P689 HydrophobicContact CG-CG 4.07Å |
| 655 | M | 84.8 | Confident | 91.1 | Very high | 175 Ų | 175 | 31.2 Ų | 31.2 | 86% | 0.862 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -6.3 | 177.2 | -60.2 | -58.5 | -65.6 | 0 | 0 | 112.8 | N653 | N653-M655 PolarHBondContact O-N 3.16Å; N653-M655 WeakPolarHBondContact OD1-CB 3.48Å; N653-M655 PolarHBondContact OD1-N 3.4Å; N653-M655 VanDerWaalsContact OD1-N 3.08Å |
| 656 | E | 86.2 | Confident | 91 | Very high | 17 Ų | 17 | 27.7 Ų | 27.7 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -82.8 | 154.7 | -177.9 | -170.3 | 48.8 | -110.4 | 0 | 0 | 112.2 | R625 N653 R654 S658 V660 R661 | R625-E656 VanDerWaalsContact CZ-CD 3.42Å; R625-E656 IonicContact CZ-OE1 3.38Å; R625-E656 IonicContact CZ-OE2 2.96Å; R625-E656 IonicContact NE-OE1 3.06Å; R625-E656 IonicContact NE-OE2 3.91Å; R625-E656 IonicContact NH1-OE1 2.74Å; R625-E656 IonicContact NH1-OE2 2.84Å; R625-E656 PolarHBondContact NH1-OE2 2.8Å; R625-E656 VanDerWaalsContact NH2-CD 3.26Å; R625-E656 IonicContact NH2-OE1 3.63Å; R625-E656 PolarHBondContact NH2-OE1 2.79Å; R625-E656 IonicContact NH2-OE2 3.95Å; R625-E656 PolarHBondContact NH2-OE2 2.75Å; R625-E656 VanDerWaalsContact NH2-OE2 3.17Å; N653-E656 HydrophobicContact CB-CB 4.08Å; N653-E656 WeakPolarHBondContact O-CB 3.39Å; N653-E656 PolarHBondContact O-N 2.98Å; N653-E656 VanDerWaalsContact O-N 3.15Å; R654-E656 VanDerWaalsContact C-N 3.28Å; E656-S658 PolarHBondContact O-N 3.27Å; E656-V660 HydrophobicContact CG-CB 3.77Å; E656-V660 HydrophobicContact CG-CG1 3.51Å; E656-R661 HydrophobicContact CB-CG 3.83Å; E656-R661 HydrophobicContact CG-CG 4.04Å; E656-R661 WeakPolarHBondContact O-CD 3.37Å |
| 657 | S | 85.6 | Confident | 90.8 | Very high | 17 Ų | 17 | 27.8 Ų | 27.8 | 12% | 0.119 | 15% | 0.148 | C | C | . | . | trans | -59.7 | 136.1 | 174.3 | 175 | 0 | 0 | 0 | 0 | 110 | A659 V660 R661 D761 | S657-A659 PolarHBondContact O-N 3.25Å; S657-V660 WeakPolarHBondContact O-CB 3.36Å; S657-V660 PolarHBondContact O-N 3.2Å; S657-R661 WeakPolarHBondContact O-CG 3.34Å; S657-R661 PolarHBondContact O-N 3.02Å; S657-D761 PolarHBondContact OG-OD2 3.39Å | ||
| 658 | S | 88.8 | Confident | 90.7 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.1 | -31 | -178.6 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | E656 R661 M662 N690 Y760 D761 | E656-S658 PolarHBondContact O-N 3.27Å; S658-R661 PolarHBondContact O-N 3.24Å; S658-M662 WeakPolarHBondContact O-CB 3.37Å; S658-M662 VanDerWaalsContact O-CE 3.25Å; S658-M662 WeakPolarHBondContact O-CE 3.4Å; S658-M662 VanDerWaalsContact O-CG 3.31Å; S658-M662 WeakPolarHBondContact O-CG 3.43Å; S658-M662 PolarHBondContact O-N 3.25Å; S658-N690 WeakPolarHBondContact CB-ND2 3.42Å; S658-Y760 PolarHBondContact OG-O 3.44Å; S658-D761 VanDerWaalsContact OG-CA 3.25Å; S658-D761 WeakPolarHBondContact OG-CA 3.44Å; S658-D761 PolarHBondContact OG-OD1 3.42Å |
| 659 | A | 86.4 | Confident | 90.5 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 3% | 0.025 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S657 M662 A663 M759 K768 | S657-A659 PolarHBondContact O-N 3.25Å; A659-M662 PolarHBondContact O-N 3.39Å; A659-A663 WeakPolarHBondContact O-CB 3.19Å; A659-A663 PolarHBondContact O-N 2.88Å; A659-M759 HydrophobicContact CB-CB 4.43Å; A659-K768 HydrophobicContact CB-CB 4.27Å |
| 660 | V | 89.9 | Confident | 89.8 | Confident | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.018 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 177.1 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | A622 L626 I629 E656 S657 A663 A664 | A622-V660 HydrophobicContact CB-CG2 4.42Å; A622-V660 WeakPolarHBondContact O-CG2 3.04Å; L626-V660 HydrophobicContact CB-CG2 4.06Å; I629-V660 HydrophobicContact CD1-CG1 3.33Å; I629-V660 HydrophobicContact CG1-CG1 4.5Å; E656-V660 HydrophobicContact CG-CB 3.77Å; E656-V660 HydrophobicContact CG-CG1 3.51Å; S657-V660 WeakPolarHBondContact O-CB 3.36Å; S657-V660 PolarHBondContact O-N 3.2Å; V660-A663 PolarHBondContact O-N 3.13Å; V660-A664 WeakPolarHBondContact O-CB 3.46Å; V660-A664 PolarHBondContact O-N 3.47Å |
| 661 | R | 92.9 | Very high | 89.1 | Confident | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.019 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.3 | -44.4 | 177.5 | -60 | 174.6 | 70 | -141.5 | -10.1 | 112.2 | A651 N653 E656 S657 S658 A664 I665 D688 V693 | A651-R661 PolarHBondContact O-NE 3.22Å; A651-R661 VanDerWaalsContact O-NE 3.15Å; A651-R661 PolarHBondContact O-NH2 3.33Å; A651-R661 VanDerWaalsContact O-NH2 3.13Å; N653-R661 VanDerWaalsContact O-CD 3.29Å; N653-R661 WeakPolarHBondContact O-CD 3.3Å; N653-R661 PolarHBondContact O-NE 3.15Å; E656-R661 HydrophobicContact CB-CG 3.83Å; E656-R661 HydrophobicContact CG-CG 4.04Å; E656-R661 WeakPolarHBondContact O-CD 3.37Å; S657-R661 WeakPolarHBondContact O-CG 3.34Å; S657-R661 PolarHBondContact O-N 3.02Å; S658-R661 PolarHBondContact O-N 3.24Å; R661-A664 PolarHBondContact O-N 2.72Å; R661-I665 WeakPolarHBondContact O-CG1 3.45Å; R661-I665 PolarHBondContact O-N 2.94Å; R661-D688 IonicContact CZ-OD1 2.71Å; R661-D688 IonicContact CZ-OD2 3.22Å; R661-D688 IonicContact NH1-OD1 3.54Å; R661-D688 PolarHBondContact NH1-OD1 3.03Å; R661-D688 IonicContact NH1-OD2 3.53Å; R661-D688 PolarHBondContact NH1-OD2 2.61Å; R661-D688 IonicContact NH2-OD1 2.67Å; R661-D688 PolarHBondContact NH2-OD1 3.46Å; R661-D688 IonicContact NH2-OD2 3.24Å; R661-D688 PolarHBondContact NH2-OD2 3.44Å; R661-V693 HydrophobicContact CB-CG1 4.34Å |
| 662 | M | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 175.5 | -75.7 | -176.4 | -79.3 | 0 | 0 | 112.1 | S658 A659 I665 Q666 V693 F696 M759 Y760 | S658-M662 WeakPolarHBondContact O-CB 3.37Å; S658-M662 VanDerWaalsContact O-CE 3.25Å; S658-M662 WeakPolarHBondContact O-CE 3.4Å; S658-M662 VanDerWaalsContact O-CG 3.31Å; S658-M662 WeakPolarHBondContact O-CG 3.43Å; S658-M662 PolarHBondContact O-N 3.25Å; A659-M662 PolarHBondContact O-N 3.39Å; M662-I665 PolarHBondContact O-N 2.94Å; M662-Q666 WeakPolarHBondContact O-CB 3.18Å; M662-Q666 PolarHBondContact O-N 3.46Å; M662-V693 HydrophobicContact CG-CB 4.41Å; M662-V693 HydrophobicContact CG-CG1 4.26Å; M662-V693 HydrophobicContact CG-CG2 4.16Å; M662-F696 HydrophobicContact CB-CD1 3.74Å; M662-F696 HydrophobicContact CB-CE1 3.79Å; M662-F696 HydrophobicContact CB-CG 4.19Å; M662-F696 HydrophobicContact CB-CZ 4.27Å; M662-F696 HydrophobicContact CG-CB 3.97Å; M662-F696 HydrophobicContact CG-CD1 3.58Å; M662-F696 HydrophobicContact CG-CD2 4.41Å; M662-F696 HydrophobicContact CG-CE1 4.18Å; M662-F696 HydrophobicContact CG-CG 3.73Å; M662-F696 WeakPolarHBondContact O-CE1 3.5Å; M662-F696 HydrophobicContact SD-CB 3.53Å; M662-F696 VanDerWaalsContact SD-CB 3.53Å; M662-F696 HydrophobicContact SD-CD1 4.06Å; M662-F696 HydrophobicContact SD-CD2 3.85Å; M662-F696 HydrophobicContact SD-CG 3.54Å; M662-F696 VanDerWaalsContact SD-CG 3.54Å; M662-M759 HydrophobicContact CB-CG 4.19Å; M662-M759 HydrophobicContact CB-SD 4.16Å; M662-M759 HydrophobicContact CE-CB 3.9Å; M662-M759 HydrophobicContact SD-CB 4.39Å; M662-Y760 WeakPolarHBondContact CE-O 3.23Å |
| 663 | A | 91.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.3 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L626 I629 A659 V660 Q666 M667 M759 | L626-A663 HydrophobicContact CD1-CB 3.38Å; I629-A663 HydrophobicContact CG2-CB 4.29Å; A659-A663 WeakPolarHBondContact O-CB 3.19Å; A659-A663 PolarHBondContact O-N 2.88Å; V660-A663 PolarHBondContact O-N 3.13Å; A663-Q666 WeakPolarHBondContact O-CB 3.42Å; A663-Q666 PolarHBondContact O-N 3.4Å; A663-M667 WeakPolarHBondContact O-CG 3.47Å; A663-M667 PolarHBondContact O-N 3.07Å; A663-M759 HydrophobicContact CB-CE 4.25Å; A663-M759 HydrophobicContact CB-SD 4.13Å |
| 664 | A | 94.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I629 L647 A650 A651 V660 R661 Q666 M667 L668 | I629-A664 HydrophobicContact CD1-CB 4.19Å; L647-A664 HydrophobicContact CD2-CB 4.39Å; A650-A664 HydrophobicContact CB-CB 3.98Å; A651-A664 HydrophobicContact CB-CB 4.09Å; V660-A664 WeakPolarHBondContact O-CB 3.46Å; V660-A664 PolarHBondContact O-N 3.47Å; R661-A664 PolarHBondContact O-N 2.72Å; A664-Q666 PolarHBondContact O-N 3.28Å; A664-M667 PolarHBondContact O-N 3.22Å; A664-L668 WeakPolarHBondContact O-CG 3.36Å; A664-L668 PolarHBondContact O-N 3.42Å |
| 665 | I | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 176.2 | -67.2 | 167.7 | 0 | 0 | 0 | 110.9 | A651 R661 M662 M667 L668 L669 I681 V693 A697 | A651-I665 HydrophobicContact CB-CG1 3.81Å; R661-I665 WeakPolarHBondContact O-CG1 3.45Å; R661-I665 PolarHBondContact O-N 2.94Å; M662-I665 PolarHBondContact O-N 2.94Å; I665-M667 VanDerWaalsContact C-N 3.31Å; I665-M667 PolarHBondContact O-N 3.1Å; I665-L668 PolarHBondContact O-N 3.3Å; I665-L669 HydrophobicContact CG2-CD1 4.01Å; I665-L669 WeakPolarHBondContact O-CG 3.04Å; I665-L669 PolarHBondContact O-N 3.46Å; I665-I681 HydrophobicContact CG2-CG2 4.42Å; I665-V693 HydrophobicContact CD1-CG1 3.71Å; I665-A697 HydrophobicContact CD1-CB 4.07Å; I665-A697 HydrophobicContact CG2-CB 3.86Å |
| 666 | Q | 91.3 | Very high | 88 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.8 | -44.6 | 176.1 | -174 | -156.1 | 4.3 | 0 | 0 | 111.4 | M662 A663 A664 L669 Q670 F696 L700 M757 | M662-Q666 WeakPolarHBondContact O-CB 3.18Å; M662-Q666 PolarHBondContact O-N 3.46Å; A663-Q666 WeakPolarHBondContact O-CB 3.42Å; A663-Q666 PolarHBondContact O-N 3.4Å; A664-Q666 PolarHBondContact O-N 3.28Å; Q666-L669 PolarHBondContact O-N 3.3Å; Q666-Q670 WeakPolarHBondContact O-CG 3.4Å; Q666-Q670 PolarHBondContact O-N 2.7Å; Q666-Q670 VanDerWaalsContact O-N 3.13Å; Q666-F696 HydrophobicContact CB-CE1 4.43Å; Q666-F696 HydrophobicContact CB-CZ 4.41Å; Q666-L700 HydrophobicContact CB-CD2 4.17Å; Q666-L700 HydrophobicContact CG-CD2 4.12Å; Q666-M757 HydrophobicContact CG-SD 4.42Å; Q666-M757 PolarHBondContact NE2-SD 3.42Å |
| 667 | M | 91.2 | Very high | 88.2 | Confident | 4 Ų | 4 | 23.9 Ų | 23.9 | 2% | 0.02 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.6 | -38.1 | -179.3 | -74.4 | -172.2 | 61.9 | 0 | 0 | 113.1 | I629 L630 L632 R633 L647 A663 A664 I665 Q670 Q671 | I629-M667 VanDerWaalsContact C-SD 3.59Å; I629-M667 HydrophobicContact CG2-SD 3.48Å; I629-M667 WeakPolarHBondContact CG2-SD 3.24Å; I629-M667 WeakPolarHBondContact O-CE 3.18Å; L630-M667 HydrophobicContact CD2-SD 4.4Å; L632-M667 HydrophobicContact CB-CE 3.71Å; R633-M667 HydrophobicContact CB-CE 4.36Å; L647-M667 HydrophobicContact CD1-CB 3.76Å; L647-M667 HydrophobicContact CD1-CE 4.47Å; L647-M667 HydrophobicContact CD2-CB 4.1Å; L647-M667 HydrophobicContact CD2-CE 4.36Å; L647-M667 HydrophobicContact CD2-SD 4.25Å; A663-M667 WeakPolarHBondContact O-CG 3.47Å; A663-M667 PolarHBondContact O-N 3.07Å; A664-M667 PolarHBondContact O-N 3.22Å; I665-M667 VanDerWaalsContact C-N 3.31Å; I665-M667 PolarHBondContact O-N 3.1Å; M667-Q670 PolarHBondContact O-N 3.05Å; M667-Q671 WeakPolarHBondContact O-CG 3.41Å; M667-Q671 PolarHBondContact O-N 2.87Å |
| 668 | L | 92.6 | Very high | 88.4 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.3 | -47.3 | 172.6 | -75.2 | 166.6 | 0 | 0 | 0 | 111.3 | K644 L647 L648 A651 A664 I665 Q670 Q671 P673 T677 I681 | K644-L668 HydrophobicContact CG-CD2 4.11Å; L647-L668 HydrophobicContact CB-CD1 4.13Å; L647-L668 HydrophobicContact CB-CD2 3.72Å; L647-L668 HydrophobicContact CB-CG 3.68Å; L647-L668 HydrophobicContact CD1-CD2 4.15Å; L647-L668 HydrophobicContact CD1-CG 4.19Å; L648-L668 HydrophobicContact CD2-CD1 3.81Å; L648-L668 HydrophobicContact CD2-CD2 4.48Å; L648-L668 HydrophobicContact CG-CD1 4.07Å; L648-L668 HydrophobicContact CG-CD2 4.08Å; A651-L668 HydrophobicContact CB-CD1 4.36Å; A664-L668 WeakPolarHBondContact O-CG 3.36Å; A664-L668 PolarHBondContact O-N 3.42Å; I665-L668 PolarHBondContact O-N 3.3Å; L668-Q670 PolarHBondContact O-N 3.03Å; L668-Q671 WeakPolarHBondContact O-CB 3.27Å; L668-Q671 PolarHBondContact O-N 3.2Å; L668-P673 WeakPolarHBondContact O-CD 3.49Å; L668-T677 HydrophobicContact CD2-CG2 4.25Å; L668-I681 HydrophobicContact CB-CD1 4.04Å; L668-I681 HydrophobicContact CD1-CD1 4.44Å; L668-I681 HydrophobicContact CD1-CG1 4.47Å |
| 669 | L | 89 | Confident | 88.4 | Confident | 12 Ų | 12 | 25.9 Ų | 25.9 | 6% | 0.063 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.4 | -25.6 | 178.4 | -69.3 | 170.5 | 0 | 0 | 0 | 112.7 | I665 Q666 Q671 P673 I681 L700 I701 L704 L719 | I665-L669 HydrophobicContact CG2-CD1 4.01Å; I665-L669 WeakPolarHBondContact O-CG 3.04Å; I665-L669 PolarHBondContact O-N 3.46Å; Q666-L669 PolarHBondContact O-N 3.3Å; L669-Q671 VanDerWaalsContact C-N 3.34Å; L669-P673 HydrophobicContact CD2-CG 4.48Å; L669-I681 HydrophobicContact CD2-CD1 4.04Å; L669-I681 HydrophobicContact CG-CD1 4.32Å; L669-L700 HydrophobicContact CD1-CB 4.36Å; L669-L700 HydrophobicContact CD1-CD2 3.68Å; L669-L700 HydrophobicContact CD1-CG 3.82Å; L669-I701 HydrophobicContact CD1-CG1 3.81Å; L669-I701 HydrophobicContact CD2-CG1 4.07Å; L669-L704 HydrophobicContact CB-CD1 3.94Å; L669-L704 HydrophobicContact CD1-CD1 4.4Å; L669-L719 HydrophobicContact CD2-CD2 3.72Å |
| 670 | Q | 79.8 | Confident | 88.6 | Confident | 40 Ų | 40 | 29.8 Ų | 29.8 | 19% | 0.187 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -4.4 | 173.2 | -71.1 | 175.9 | 6.2 | 0 | 0 | 114.3 | K636 Q666 M667 L668 N672 R784 | K636-Q670 PolarHBondContact NZ-O 3.28Å; K636-Q670 VanDerWaalsContact NZ-O 3.09Å; Q666-Q670 WeakPolarHBondContact O-CG 3.4Å; Q666-Q670 PolarHBondContact O-N 2.7Å; Q666-Q670 VanDerWaalsContact O-N 3.13Å; M667-Q670 PolarHBondContact O-N 3.05Å; L668-Q670 PolarHBondContact O-N 3.03Å; Q670-N672 VanDerWaalsContact C-N 3.34Å; Q670-R784 PolarHBondContact O-NH1 2.92Å; Q670-R784 PolarHBondContact O-NH2 2.96Å |
| 671 | Q | 78.2 | Confident | 88.6 | Confident | 43 Ų | 43 | 29.7 Ų | 29.7 | 20% | 0.201 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 10 | 178.9 | -83.3 | 177.3 | 10.8 | 0 | 0 | 114.1 | K636 T643 L647 M667 L668 L669 | K636-Q671 HydrophobicContact CB-CG 4.05Å; K636-Q671 VanDerWaalsContact CB-NE2 3.3Å; K636-Q671 HydrophobicContact CD-CG 3.39Å; K636-Q671 HydrophobicContact CG-CG 4.38Å; T643-Q671 VanDerWaalsContact CG2-NE2 3.34Å; L647-Q671 VanDerWaalsContact CD1-NE2 3.25Å; M667-Q671 WeakPolarHBondContact O-CG 3.41Å; M667-Q671 PolarHBondContact O-N 2.87Å; L668-Q671 WeakPolarHBondContact O-CB 3.27Å; L668-Q671 PolarHBondContact O-N 3.2Å; L669-Q671 VanDerWaalsContact C-N 3.34Å |
| 672 | N | 77.1 | Confident | 88.5 | Confident | 64 Ų | 64 | 29.6 Ų | 29.6 | 34% | 0.342 | 14% | 0.144 | S | C | . | . | trans | 49.6 | 59.2 | -169 | -161.2 | 33.8 | 0 | 0 | 0 | 110.8 | Q670 E714 N715 | Q670-N672 VanDerWaalsContact C-N 3.34Å; N672-E714 PolarHBondContact ND2-OE2 3.22Å; N672-N715 PolarHBondContact OD1-ND2 3.15Å | ||
| 673 | P | 83.1 | Confident | 88.4 | Confident | 8 Ų | 8 | 33.8 Ų | 33.8 | 5% | 0.052 | 17% | 0.17 | C | C | . | . | trans | -61.1 | 146 | -169.4 | 24.6 | -34.1 | 0 | 0 | 0 | 112.2 | L668 L669 T677 I678 N715 | L668-P673 WeakPolarHBondContact O-CD 3.49Å; L669-P673 HydrophobicContact CD2-CG 4.48Å; P673-T677 HydrophobicContact CB-CG2 3.76Å; P673-I678 HydrophobicContact CB-CG1 4Å; P673-I678 HydrophobicContact CG-CD1 4.09Å; P673-I678 HydrophobicContact CG-CG1 3.69Å; P673-N715 VanDerWaalsContact CD-ND2 3.33Å; P673-N715 WeakPolarHBondContact CD-ND2 3.43Å; P673-N715 PolarHBondContact O-ND2 3.22Å; P673-N715 PolarHBondContact O-OD1 3.26Å | ||
| 674 | D | 87.4 | Confident | 88.3 | Confident | 67 Ų | 67 | 35 Ų | 35 | 36% | 0.358 | 18% | 0.176 | S | C | . | . | trans | -66.5 | 168 | 170.5 | 60.3 | 39.3 | 0 | 0 | 0 | 111.2 | K644 M676 T677 I678 | K644-D674 IonicContact NZ-OD2 2.9Å; K644-D674 PolarHBondContact NZ-OD2 2.99Å; D674-M676 VanDerWaalsContact C-N 3.31Å; D674-M676 PolarHBondContact O-N 3.24Å; D674-M676 PolarHBondContact OD1-N 3.42Å; D674-T677 PolarHBondContact O-N 2.9Å; D674-T677 WeakPolarHBondContact OD1-CB 3.38Å; D674-T677 PolarHBondContact OD1-N 3Å; D674-T677 PolarHBondContact OD1-OG1 3.44Å; D674-T677 PolarHBondContact OD2-OG1 3.49Å; D674-I678 WeakPolarHBondContact O-CG1 3.42Å; D674-I678 PolarHBondContact O-N 2.93Å; D674-I678 VanDerWaalsContact O-N 3.09Å | ||
| 675 | R | 87.2 | Confident | 88 | Confident | 95 Ų | 95 | 35 Ų | 35 | 36% | 0.358 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.7 | -43.4 | -178.5 | 176.4 | 59.1 | -173.5 | -151.2 | -6.8 | 111.9 | T677 I678 D679 K718 T721 | R675-T677 VanDerWaalsContact C-N 3.31Å; R675-T677 PolarHBondContact O-N 2.96Å; R675-I678 PolarHBondContact O-N 2.86Å; R675-I678 VanDerWaalsContact O-N 3.16Å; R675-D679 IonicContact CZ-OD1 3.32Å; R675-D679 VanDerWaalsContact CZ-OD1 3.23Å; R675-D679 IonicContact CZ-OD2 3.45Å; R675-D679 VanDerWaalsContact NE-CG 3.29Å; R675-D679 IonicContact NE-OD1 3.84Å; R675-D679 PolarHBondContact NE-OD1 3.41Å; R675-D679 IonicContact NE-OD2 3.24Å; R675-D679 PolarHBondContact NE-OD2 3.43Å; R675-D679 IonicContact NH2-OD1 2.74Å; R675-D679 PolarHBondContact NH2-OD1 2.95Å; R675-D679 IonicContact NH2-OD2 2.62Å; R675-D679 PolarHBondContact O-N 3.47Å; R675-K718 HydrophobicContact CB-CD 4.35Å; R675-T721 PolarHBondContact NH1-OG1 3.47Å |
| 676 | M | 89.6 | Confident | 87.6 | Confident | 135 Ų | 135 | 36.3 Ų | 36.3 | 67% | 0.665 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -58.6 | -42.3 | 179.7 | -176.2 | -179.2 | -77.6 | 0 | 0 | 111.9 | D674 D679 Q680 | D674-M676 VanDerWaalsContact C-N 3.31Å; D674-M676 PolarHBondContact O-N 3.24Å; D674-M676 PolarHBondContact OD1-N 3.42Å; M676-D679 PolarHBondContact O-N 3.45Å; M676-Q680 WeakPolarHBondContact O-CG 2.9Å; M676-Q680 PolarHBondContact O-N 3.12Å |
| 677 | T | 90.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -67.9 | -40.3 | 178 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | K644 L648 L668 P673 D674 R675 Q680 I681 | K644-T677 HydrophobicContact CD-CG2 4.38Å; K644-T677 WeakPolarHBondContact CD-OG1 3.49Å; K644-T677 HydrophobicContact CG-CG2 4.41Å; L648-T677 HydrophobicContact CD2-CG2 4.35Å; L668-T677 HydrophobicContact CD2-CG2 4.25Å; P673-T677 HydrophobicContact CB-CG2 3.76Å; D674-T677 PolarHBondContact O-N 2.9Å; D674-T677 WeakPolarHBondContact OD1-CB 3.38Å; D674-T677 PolarHBondContact OD1-N 3Å; D674-T677 PolarHBondContact OD1-OG1 3.44Å; D674-T677 PolarHBondContact OD2-OG1 3.49Å; R675-T677 VanDerWaalsContact C-N 3.31Å; R675-T677 PolarHBondContact O-N 2.96Å; T677-Q680 PolarHBondContact O-N 3.24Å; T677-I681 HydrophobicContact CG2-CD1 4.3Å; T677-I681 VanDerWaalsContact O-CG1 3.27Å; T677-I681 WeakPolarHBondContact O-CG1 3.27Å; T677-I681 PolarHBondContact O-N 2.83Å |
| 678 | I | 89.4 | Confident | 87.2 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63.4 | -43.2 | 176.1 | -69.8 | 170.5 | 0 | 0 | 0 | 110.8 | P673 D674 R675 I681 G682 N715 K718 L719 V722 | P673-I678 HydrophobicContact CB-CG1 4Å; P673-I678 HydrophobicContact CG-CD1 4.09Å; P673-I678 HydrophobicContact CG-CG1 3.69Å; D674-I678 WeakPolarHBondContact O-CG1 3.42Å; D674-I678 PolarHBondContact O-N 2.93Å; D674-I678 VanDerWaalsContact O-N 3.09Å; R675-I678 PolarHBondContact O-N 2.86Å; R675-I678 VanDerWaalsContact O-N 3.16Å; I678-I681 WeakPolarHBondContact O-CB 3.4Å; I678-I681 PolarHBondContact O-N 3.14Å; I678-G682 PolarHBondContact O-N 3.37Å; I678-N715 HydrophobicContact CD1-CB 4.3Å; I678-K718 HydrophobicContact CD1-CB 3.57Å; I678-K718 HydrophobicContact CD1-CD 3.89Å; I678-K718 HydrophobicContact CD1-CG 4.38Å; I678-K718 HydrophobicContact CG2-CB 4.43Å; I678-L719 HydrophobicContact CD1-CD2 4.32Å; I678-L719 HydrophobicContact CG1-CD2 4.43Å; I678-L719 HydrophobicContact CG2-CD2 4.42Å; I678-V722 HydrophobicContact CG2-CB 4.04Å; I678-V722 HydrophobicContact CG2-CG2 3.42Å; I678-V722 VanDerWaalsContact CG2-CG2 3.42Å |
| 679 | D | 89.5 | Confident | 86.7 | Confident | 60 Ų | 60 | 45 Ų | 45 | 32% | 0.321 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.4 | -41.1 | 177.3 | -68.5 | -23.8 | 0 | 0 | 0 | 111.5 | R675 M676 I681 G682 V683 | R675-D679 IonicContact CZ-OD1 3.32Å; R675-D679 VanDerWaalsContact CZ-OD1 3.23Å; R675-D679 IonicContact CZ-OD2 3.45Å; R675-D679 VanDerWaalsContact NE-CG 3.29Å; R675-D679 IonicContact NE-OD1 3.84Å; R675-D679 PolarHBondContact NE-OD1 3.41Å; R675-D679 IonicContact NE-OD2 3.24Å; R675-D679 PolarHBondContact NE-OD2 3.43Å; R675-D679 IonicContact NH2-OD1 2.74Å; R675-D679 PolarHBondContact NH2-OD1 2.95Å; R675-D679 IonicContact NH2-OD2 2.62Å; R675-D679 PolarHBondContact O-N 3.47Å; M676-D679 PolarHBondContact O-N 3.45Å; D679-I681 VanDerWaalsContact C-N 3.34Å; D679-I681 PolarHBondContact O-N 3.29Å; D679-G682 WeakPolarHBondContact O-CA 3.42Å; D679-G682 PolarHBondContact O-N 2.86Å; D679-G682 VanDerWaalsContact O-N 3.09Å; D679-V683 WeakPolarHBondContact O-CG2 3.38Å; D679-V683 PolarHBondContact O-N 3.41Å |
| 680 | Q | 91 | Very high | 86.4 | Confident | 84 Ų | 84 | 44.9 Ų | 44.9 | 39% | 0.393 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 172 | -77.4 | -178.9 | -15 | 0 | 0 | 112.4 | L648 M676 T677 G682 V683 I684 | L648-Q680 VanDerWaalsContact CD1-OE1 3.25Å; L648-Q680 HydrophobicContact CD2-CB 4.39Å; M676-Q680 WeakPolarHBondContact O-CG 2.9Å; M676-Q680 PolarHBondContact O-N 3.12Å; T677-Q680 PolarHBondContact O-N 3.24Å; Q680-G682 VanDerWaalsContact C-N 3.3Å; Q680-G682 PolarHBondContact O-N 2.89Å; Q680-V683 PolarHBondContact O-N 2.75Å; Q680-I684 VanDerWaalsContact O-CG1 3.3Å; Q680-I684 WeakPolarHBondContact O-CG1 3.15Å; Q680-I684 PolarHBondContact O-N 3.29Å |
| 681 | I | 90.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 173.6 | -68.1 | 164.3 | 0 | 0 | 0 | 110 | I665 L668 L669 T677 I678 D679 V683 I684 I685 I701 | I665-I681 HydrophobicContact CG2-CG2 4.42Å; L668-I681 HydrophobicContact CB-CD1 4.04Å; L668-I681 HydrophobicContact CD1-CD1 4.44Å; L668-I681 HydrophobicContact CD1-CG1 4.47Å; L669-I681 HydrophobicContact CD2-CD1 4.04Å; L669-I681 HydrophobicContact CG-CD1 4.32Å; T677-I681 HydrophobicContact CG2-CD1 4.3Å; T677-I681 VanDerWaalsContact O-CG1 3.27Å; T677-I681 WeakPolarHBondContact O-CG1 3.27Å; T677-I681 PolarHBondContact O-N 2.83Å; I678-I681 WeakPolarHBondContact O-CB 3.4Å; I678-I681 PolarHBondContact O-N 3.14Å; D679-I681 VanDerWaalsContact C-N 3.34Å; D679-I681 PolarHBondContact O-N 3.29Å; I681-V683 VanDerWaalsContact C-N 3.32Å; I681-V683 PolarHBondContact O-N 3.19Å; I681-I684 PolarHBondContact O-N 3.3Å; I681-I685 HydrophobicContact CG2-CD1 3.72Å; I681-I685 HydrophobicContact CG2-CG1 4.26Å; I681-I685 WeakPolarHBondContact O-CG1 3.37Å; I681-I685 PolarHBondContact O-N 3.01Å; I681-I701 HydrophobicContact CG2-CD1 3.95Å |
| 682 | G | 89.4 | Confident | 86.3 | Confident | 4 Ų | 4 | 48.7 Ų | 48.7 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.7 | -44.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | I678 D679 Q680 I685 N686 | I678-G682 PolarHBondContact O-N 3.37Å; D679-G682 WeakPolarHBondContact O-CA 3.42Å; D679-G682 PolarHBondContact O-N 2.86Å; D679-G682 VanDerWaalsContact O-N 3.09Å; Q680-G682 VanDerWaalsContact C-N 3.3Å; Q680-G682 PolarHBondContact O-N 2.89Å; G682-I685 PolarHBondContact O-N 3.43Å; G682-N686 WeakPolarHBondContact O-CB 3.45Å; G682-N686 PolarHBondContact O-N 3.09Å |
| 683 | V | 90.3 | Very high | 86.8 | Confident | 88 Ų | 88 | 45.7 Ų | 45.7 | 53% | 0.533 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 175.2 | 175.4 | 0 | 0 | 0 | 0 | 111.6 | D679 Q680 I681 I685 N686 H687 | D679-V683 WeakPolarHBondContact O-CG2 3.38Å; D679-V683 PolarHBondContact O-N 3.41Å; Q680-V683 PolarHBondContact O-N 2.75Å; I681-V683 VanDerWaalsContact C-N 3.32Å; I681-V683 PolarHBondContact O-N 3.19Å; V683-I685 VanDerWaalsContact C-N 3.34Å; V683-I685 PolarHBondContact O-N 3.38Å; V683-N686 PolarHBondContact O-N 2.86Å; V683-H687 PolarHBondContact O-N 2.97Å; V683-H687 VanDerWaalsContact O-N 3.17Å; V683-H687 PolarHBondContact O-ND1 3.18Å |
| 684 | I | 89.6 | Confident | 86.9 | Confident | 25 Ų | 25 | 45.3 Ų | 45.3 | 13% | 0.128 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.2 | -47.1 | 177 | -69.5 | 166.1 | 0 | 0 | 0 | 110 | L648 A651 A652 Q680 I681 H687 D688 | L648-I684 HydrophobicContact CD2-CD1 4.44Å; A651-I684 HydrophobicContact CB-CD1 4.2Å; A652-I684 HydrophobicContact CB-CD1 4.11Å; A652-I684 HydrophobicContact CB-CG1 4.3Å; Q680-I684 VanDerWaalsContact O-CG1 3.3Å; Q680-I684 WeakPolarHBondContact O-CG1 3.15Å; Q680-I684 PolarHBondContact O-N 3.29Å; I681-I684 PolarHBondContact O-N 3.3Å; I684-H687 PolarHBondContact O-N 3.38Å; I684-D688 WeakPolarHBondContact O-CB 3.37Å; I684-D688 PolarHBondContact O-N 3.1Å |
| 685 | I | 87.4 | Confident | 86.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -45.9 | 179.7 | -66.8 | 167.3 | 0 | 0 | 0 | 111.4 | I681 G682 V683 H687 A694 A697 I701 V726 N730 | I681-I685 HydrophobicContact CG2-CD1 3.72Å; I681-I685 HydrophobicContact CG2-CG1 4.26Å; I681-I685 WeakPolarHBondContact O-CG1 3.37Å; I681-I685 PolarHBondContact O-N 3.01Å; G682-I685 PolarHBondContact O-N 3.43Å; V683-I685 VanDerWaalsContact C-N 3.34Å; V683-I685 PolarHBondContact O-N 3.38Å; I685-H687 VanDerWaalsContact C-N 3.26Å; I685-H687 PolarHBondContact O-N 2.91Å; I685-A694 HydrophobicContact CG2-CB 4.06Å; I685-A697 HydrophobicContact CD1-CB 3.59Å; I685-A697 HydrophobicContact CG1-CB 3.59Å; I685-I701 HydrophobicContact CD1-CD1 3.47Å; I685-I701 VanDerWaalsContact CD1-CD1 3.47Å; I685-V726 HydrophobicContact CB-CG2 4.48Å; I685-V726 HydrophobicContact CG2-CB 4.47Å; I685-V726 HydrophobicContact CG2-CG1 3.74Å; I685-V726 HydrophobicContact CG2-CG2 3.79Å; I685-N730 PolarHBondContact O-ND2 3.14Å |
| 686 | N | 86.4 | Confident | 86.7 | Confident | 27 Ų | 27 | 37.7 Ų | 37.7 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.3 | -23.4 | -175.8 | -86.3 | -28.4 | 0 | 0 | 0 | 114.1 | G682 V683 S725 V726 R727 | G682-N686 WeakPolarHBondContact O-CB 3.45Å; G682-N686 PolarHBondContact O-N 3.09Å; V683-N686 PolarHBondContact O-N 2.86Å; N686-S725 PolarHBondContact ND2-O 3.36Å; N686-V726 VanDerWaalsContact OD1-CA 3.27Å; N686-V726 WeakPolarHBondContact OD1-CA 3.37Å; N686-R727 PolarHBondContact OD1-N 3.16Å |
| 687 | H | 87.5 | Confident | 86.6 | Confident | 93 Ų | 93 | 31.3 Ų | 31.3 | 43% | 0.431 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 14.9 | -177.6 | -56.8 | 90.1 | 0 | 0 | 0 | 113 | R654 V683 I684 I685 | R654-H687 PolarHBondContact NH2-O 3.35Å; R654-H687 VanDerWaalsContact NH2-O 3.13Å; V683-H687 PolarHBondContact O-N 2.97Å; V683-H687 VanDerWaalsContact O-N 3.17Å; V683-H687 PolarHBondContact O-ND1 3.18Å; I684-H687 PolarHBondContact O-N 3.38Å; I685-H687 VanDerWaalsContact C-N 3.26Å; I685-H687 PolarHBondContact O-N 2.91Å |
| 688 | D | 85.7 | Confident | 86.5 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 7% | 0.07 | 16% | 0.163 | C | C | . | . | trans | -72.9 | 123.3 | 177.7 | -154.9 | -46.7 | 0 | 0 | 0 | 110.3 | R661 I684 N690 V693 A694 | R661-D688 IonicContact CZ-OD1 2.71Å; R661-D688 IonicContact CZ-OD2 3.22Å; R661-D688 IonicContact NH1-OD1 3.54Å; R661-D688 PolarHBondContact NH1-OD1 3.03Å; R661-D688 IonicContact NH1-OD2 3.53Å; R661-D688 PolarHBondContact NH1-OD2 2.61Å; R661-D688 IonicContact NH2-OD1 2.67Å; R661-D688 PolarHBondContact NH2-OD1 3.46Å; R661-D688 IonicContact NH2-OD2 3.24Å; R661-D688 PolarHBondContact NH2-OD2 3.44Å; I684-D688 WeakPolarHBondContact O-CB 3.37Å; I684-D688 PolarHBondContact O-N 3.1Å; D688-N690 PolarHBondContact O-N 2.87Å; D688-N690 WeakPolarHBondContact OD1-CA 3.49Å; D688-N690 WeakPolarHBondContact OD1-CB 3.16Å; D688-N690 PolarHBondContact OD1-N 3.03Å; D688-V693 WeakPolarHBondContact OD2-CB 3.36Å; D688-V693 WeakPolarHBondContact OD2-CG1 3.24Å; D688-A694 HydrophobicContact CB-CB 4.18Å | ||
| 689 | P | 83.1 | Confident | 86.2 | Confident | 82 Ų | 82 | 34.6 Ų | 34.6 | 53% | 0.532 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -66.3 | -23.3 | 173.6 | 28.5 | -35.9 | 0 | 0 | 0 | 112.2 | R654 | R654-P689 HydrophobicContact CB-CG 4.14Å; R654-P689 HydrophobicContact CG-CG 4.07Å |
| 690 | N | 81.3 | Confident | 86.2 | Confident | 10 Ų | 10 | 31.9 Ų | 31.9 | 5% | 0.053 | 16% | 0.156 | C | C | . | . | trans | -94.5 | 102.1 | 179.6 | -174.8 | -28.2 | 0 | 0 | 0 | 110.7 | S658 D688 R692 V693 A694 M762 | S658-N690 WeakPolarHBondContact CB-ND2 3.42Å; D688-N690 PolarHBondContact O-N 2.87Å; D688-N690 WeakPolarHBondContact OD1-CA 3.49Å; D688-N690 WeakPolarHBondContact OD1-CB 3.16Å; D688-N690 PolarHBondContact OD1-N 3.03Å; N690-R692 PolarHBondContact O-N 3.28Å; N690-R692 VanDerWaalsContact O-N 3.14Å; N690-R692 WeakPolarHBondContact OD1-CA 3.29Å; N690-R692 WeakPolarHBondContact OD1-CB 3.44Å; N690-R692 PolarHBondContact OD1-N 2.95Å; N690-V693 HydrophobicContact CB-CB 4.3Å; N690-V693 HydrophobicContact CB-CG2 3.89Å; N690-V693 PolarHBondContact O-N 3.36Å; N690-V693 PolarHBondContact OD1-N 3.39Å; N690-A694 PolarHBondContact O-N 2.99Å; N690-M762 HydrophobicContact CB-SD 3.92Å; N690-M762 WeakPolarHBondContact ND2-CG 3.39Å; N690-M762 PolarHBondContact ND2-SD 3.43Å; N690-M762 PolarHBondContact OD1-SD 3.47Å | ||
| 691 | R | 78.2 | Confident | 86.1 | Confident | 126 Ų | 126 | 28 Ų | 28 | 48% | 0.475 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -58.6 | -25.8 | 177.7 | -66.9 | -174.9 | 171.2 | -173 | -1 | 113.7 | S695 L733 | R691-S695 WeakPolarHBondContact O-CB 3.35Å; R691-S695 PolarHBondContact O-N 3.14Å; R691-L733 HydrophobicContact CB-CD1 3.3Å; R691-L733 HydrophobicContact CB-CG 4.46Å; R691-L733 HydrophobicContact CG-CD1 4.47Å |
| 692 | R | 78.6 | Confident | 85.9 | Confident | 38 Ų | 38 | 34 Ų | 34 | 14% | 0.143 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.5 | -38.4 | 175.1 | -58.2 | -176 | 177.4 | -159.4 | -4.9 | 111.6 | N690 F696 L733 Y760 D761 D764 | N690-R692 PolarHBondContact O-N 3.28Å; N690-R692 VanDerWaalsContact O-N 3.14Å; N690-R692 WeakPolarHBondContact OD1-CA 3.29Å; N690-R692 WeakPolarHBondContact OD1-CB 3.44Å; N690-R692 PolarHBondContact OD1-N 2.95Å; R692-F696 VanDerWaalsContact O-CB 3.3Å; R692-F696 WeakPolarHBondContact O-CB 3.37Å; R692-F696 PolarHBondContact O-N 3.06Å; R692-L733 HydrophobicContact CG-CD1 4.42Å; R692-Y760 VanDerWaalsContact NH1-CB 3.32Å; R692-D761 PolarHBondContact NH1-O 2.92Å; R692-D764 PolarHBondContact NH1-O 2.96Å |
| 693 | V | 87.2 | Confident | 85.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.7 | -47.5 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | R661 M662 I665 D688 N690 S695 F696 A697 | R661-V693 HydrophobicContact CB-CG1 4.34Å; M662-V693 HydrophobicContact CG-CB 4.41Å; M662-V693 HydrophobicContact CG-CG1 4.26Å; M662-V693 HydrophobicContact CG-CG2 4.16Å; I665-V693 HydrophobicContact CD1-CG1 3.71Å; D688-V693 WeakPolarHBondContact OD2-CB 3.36Å; D688-V693 WeakPolarHBondContact OD2-CG1 3.24Å; N690-V693 HydrophobicContact CB-CB 4.3Å; N690-V693 HydrophobicContact CB-CG2 3.89Å; N690-V693 PolarHBondContact O-N 3.36Å; N690-V693 PolarHBondContact OD1-N 3.39Å; V693-S695 PolarHBondContact O-N 3.39Å; V693-F696 PolarHBondContact O-N 2.74Å; V693-A697 WeakPolarHBondContact O-CB 3.2Å; V693-A697 PolarHBondContact O-N 2.84Å |
| 694 | A | 86.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | I685 D688 N690 A697 Y698 N730 | I685-A694 HydrophobicContact CG2-CB 4.06Å; D688-A694 HydrophobicContact CB-CB 4.18Å; N690-A694 PolarHBondContact O-N 2.99Å; A694-A697 PolarHBondContact O-N 2.95Å; A694-Y698 WeakPolarHBondContact O-CB 3.39Å; A694-Y698 PolarHBondContact O-N 3.17Å; A694-N730 HydrophobicContact CB-CB 4Å |
| 695 | S | 83 | Confident | 85.6 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 177.8 | -173.6 | 0 | 0 | 0 | 0 | 112.5 | R691 V693 K699 | R691-S695 WeakPolarHBondContact O-CB 3.35Å; R691-S695 PolarHBondContact O-N 3.14Å; V693-S695 PolarHBondContact O-N 3.39Å; S695-K699 WeakPolarHBondContact O-CB 3.49Å; S695-K699 WeakPolarHBondContact O-CG 3.17Å; S695-K699 PolarHBondContact O-N 3.15Å |
| 696 | F | 86 | Confident | 85.4 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.009 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.5 | -49.8 | 175.6 | 171.7 | -89.4 | 0 | 0 | 0 | 111.5 | M662 Q666 R692 V693 K699 L700 M738 M759 | M662-F696 HydrophobicContact CB-CD1 3.74Å; M662-F696 HydrophobicContact CB-CE1 3.79Å; M662-F696 HydrophobicContact CB-CG 4.19Å; M662-F696 HydrophobicContact CB-CZ 4.27Å; M662-F696 HydrophobicContact CG-CB 3.97Å; M662-F696 HydrophobicContact CG-CD1 3.58Å; M662-F696 HydrophobicContact CG-CD2 4.41Å; M662-F696 HydrophobicContact CG-CE1 4.18Å; M662-F696 HydrophobicContact CG-CG 3.73Å; M662-F696 WeakPolarHBondContact O-CE1 3.5Å; M662-F696 HydrophobicContact SD-CB 3.53Å; M662-F696 VanDerWaalsContact SD-CB 3.53Å; M662-F696 HydrophobicContact SD-CD1 4.06Å; M662-F696 HydrophobicContact SD-CD2 3.85Å; M662-F696 HydrophobicContact SD-CG 3.54Å; M662-F696 VanDerWaalsContact SD-CG 3.54Å; Q666-F696 HydrophobicContact CB-CE1 4.43Å; Q666-F696 HydrophobicContact CB-CZ 4.41Å; R692-F696 VanDerWaalsContact O-CB 3.3Å; R692-F696 WeakPolarHBondContact O-CB 3.37Å; R692-F696 PolarHBondContact O-N 3.06Å; V693-F696 PolarHBondContact O-N 2.74Å; F696-K699 PolarHBondContact O-N 3.11Å; F696-L700 HydrophobicContact CE1-CD2 4.16Å; F696-L700 HydrophobicContact CZ-CD2 4.35Å; F696-L700 WeakPolarHBondContact O-CB 3.17Å; F696-L700 PolarHBondContact O-N 3.42Å; F696-M738 HydrophobicContact CD2-CE 3.36Å; F696-M738 HydrophobicContact CE2-CE 3.44Å; F696-M738 VanDerWaalsContact CE2-CE 3.44Å; F696-M738 HydrophobicContact CG-CE 3.97Å; F696-M738 HydrophobicContact CZ-CE 4.1Å; F696-M738 WeakPolarHBondContact O-CE 3.41Å; F696-M759 HydrophobicContact CE2-CE 4.47Å; F696-M759 HydrophobicContact CE2-CG 4.26Å; F696-M759 HydrophobicContact CZ-CE 4.03Å |
| 697 | A | 89.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.4 | -45.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I665 I685 V693 A694 L700 I701 | I665-A697 HydrophobicContact CD1-CB 4.07Å; I665-A697 HydrophobicContact CG2-CB 3.86Å; I685-A697 HydrophobicContact CD1-CB 3.59Å; I685-A697 HydrophobicContact CG1-CB 3.59Å; V693-A697 WeakPolarHBondContact O-CB 3.2Å; V693-A697 PolarHBondContact O-N 2.84Å; A694-A697 PolarHBondContact O-N 2.95Å; A697-L700 PolarHBondContact O-N 2.85Å; A697-I701 VanDerWaalsContact O-CG1 3.28Å; A697-I701 WeakPolarHBondContact O-CG1 2.85Å; A697-I701 PolarHBondContact O-N 3.34Å |
| 698 | Y | 86.7 | Confident | 84.7 | Confident | 31 Ų | 31 | 36 Ų | 36 | 12% | 0.122 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 174.4 | 170.6 | -93.9 | 0 | 0 | 0 | 111.9 | A694 L700 I701 R702 A723 V726 L731 | A694-Y698 WeakPolarHBondContact O-CB 3.39Å; A694-Y698 PolarHBondContact O-N 3.17Å; Y698-L700 VanDerWaalsContact C-N 3.33Å; Y698-L700 PolarHBondContact O-N 3.2Å; Y698-I701 PolarHBondContact O-N 3.36Å; Y698-R702 WeakPolarHBondContact O-CB 3.46Å; Y698-R702 PolarHBondContact O-N 3.31Å; Y698-R702 PolarHBondContact OH-NH1 2.81Å; Y698-R702 VanDerWaalsContact OH-NH1 3.09Å; Y698-A723 HydrophobicContact CE2-CB 4.35Å; Y698-A723 WeakPolarHBondContact CE2-O 3.37Å; Y698-V726 HydrophobicContact CD2-CB 3.83Å; Y698-V726 HydrophobicContact CD2-CG1 3.89Å; Y698-V726 HydrophobicContact CD2-CG2 4.07Å; Y698-V726 HydrophobicContact CE2-CB 4.33Å; Y698-V726 HydrophobicContact CG-CG1 4.44Å; Y698-L731 HydrophobicContact CD1-CD2 3.33Å; Y698-L731 HydrophobicContact CD2-CD2 3.77Å; Y698-L731 HydrophobicContact CE1-CD2 3.23Å; Y698-L731 HydrophobicContact CE2-CD2 3.63Å; Y698-L731 HydrophobicContact CG-CD2 3.61Å |
| 699 | K | 84.9 | Confident | 84.4 | Confident | 41 Ų | 41 | 35.4 Ų | 35.4 | 18% | 0.178 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 179.6 | -74.9 | -176.3 | -178 | -175 | 0 | 111.4 | S695 F696 R702 R703 S736 D737 M738 | S695-K699 WeakPolarHBondContact O-CB 3.49Å; S695-K699 WeakPolarHBondContact O-CG 3.17Å; S695-K699 PolarHBondContact O-N 3.15Å; F696-K699 PolarHBondContact O-N 3.11Å; K699-R702 PolarHBondContact O-N 3.34Å; K699-R703 WeakPolarHBondContact O-CB 3.33Å; K699-R703 VanDerWaalsContact O-CG 3.23Å; K699-R703 WeakPolarHBondContact O-CG 3.48Å; K699-R703 PolarHBondContact O-N 2.87Å; K699-S736 WeakPolarHBondContact CD-O 3.42Å; K699-S736 PolarHBondContact NZ-O 2.84Å; K699-D737 IonicContact NZ-OD1 3.33Å; K699-D737 PolarHBondContact NZ-OD1 3.31Å; K699-M738 HydrophobicContact CB-CE 4.29Å; K699-M738 HydrophobicContact CB-CG 4.26Å; K699-M738 HydrophobicContact CB-SD 4.14Å |
| 700 | L | 88.6 | Confident | 84.2 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.3 | -46.6 | 177.2 | -177.5 | 55.7 | 0 | 0 | 0 | 111.8 | Q666 L669 F696 A697 Y698 R702 R703 L704 M738 M757 | Q666-L700 HydrophobicContact CB-CD2 4.17Å; Q666-L700 HydrophobicContact CG-CD2 4.12Å; L669-L700 HydrophobicContact CD1-CB 4.36Å; L669-L700 HydrophobicContact CD1-CD2 3.68Å; L669-L700 HydrophobicContact CD1-CG 3.82Å; F696-L700 HydrophobicContact CE1-CD2 4.16Å; F696-L700 HydrophobicContact CZ-CD2 4.35Å; F696-L700 WeakPolarHBondContact O-CB 3.17Å; F696-L700 PolarHBondContact O-N 3.42Å; A697-L700 PolarHBondContact O-N 2.85Å; Y698-L700 VanDerWaalsContact C-N 3.33Å; Y698-L700 PolarHBondContact O-N 3.2Å; L700-R702 VanDerWaalsContact C-N 3.35Å; L700-R702 PolarHBondContact O-N 3.09Å; L700-R703 PolarHBondContact O-N 3.36Å; L700-L704 HydrophobicContact CD1-CD1 3.99Å; L700-L704 HydrophobicContact CD1-CG 4.02Å; L700-L704 HydrophobicContact CG-CD1 4.01Å; L700-L704 HydrophobicContact CG-CG 4.44Å; L700-L704 WeakPolarHBondContact O-CB 3.3Å; L700-L704 VanDerWaalsContact O-CG 3.25Å; L700-L704 WeakPolarHBondContact O-CG 3.24Å; L700-L704 PolarHBondContact O-N 3.11Å; L700-M738 HydrophobicContact CB-CE 4.01Å; L700-M738 HydrophobicContact CB-SD 4.06Å; L700-M738 HydrophobicContact CD1-SD 4.36Å; L700-M757 HydrophobicContact CD1-CE 3.88Å |
| 701 | I | 89.4 | Confident | 84.1 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -57.5 | -48.5 | 176.5 | -71.8 | 172.5 | 0 | 0 | 0 | 110.6 | L669 I681 I685 A697 Y698 L704 A705 L719 V722 A723 | L669-I701 HydrophobicContact CD1-CG1 3.81Å; L669-I701 HydrophobicContact CD2-CG1 4.07Å; I681-I701 HydrophobicContact CG2-CD1 3.95Å; I685-I701 HydrophobicContact CD1-CD1 3.47Å; I685-I701 VanDerWaalsContact CD1-CD1 3.47Å; A697-I701 VanDerWaalsContact O-CG1 3.28Å; A697-I701 WeakPolarHBondContact O-CG1 2.85Å; A697-I701 PolarHBondContact O-N 3.34Å; Y698-I701 PolarHBondContact O-N 3.36Å; I701-L704 PolarHBondContact O-N 2.86Å; I701-A705 VanDerWaalsContact O-CB 3.31Å; I701-A705 WeakPolarHBondContact O-CB 3.13Å; I701-A705 PolarHBondContact O-N 2.77Å; I701-L719 HydrophobicContact CB-CD2 4.48Å; I701-L719 HydrophobicContact CG1-CD2 4.18Å; I701-L719 HydrophobicContact CG2-CB 3.95Å; I701-L719 HydrophobicContact CG2-CD2 3.96Å; I701-L719 VanDerWaalsContact CG2-O 3.29Å; I701-L719 WeakPolarHBondContact CG2-O 3.42Å; I701-V722 HydrophobicContact CD1-CG1 4.18Å; I701-A723 HydrophobicContact CG2-CB 4.1Å |
| 702 | R | 86.6 | Confident | 84.4 | Confident | 129 Ų | 129 | 27.3 Ų | 27.3 | 49% | 0.487 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -61 | -46.1 | 179.2 | -174.4 | 169.6 | 179.2 | 168.2 | -1.5 | 111.9 | Y698 K699 L700 L704 A705 D706 | Y698-R702 WeakPolarHBondContact O-CB 3.46Å; Y698-R702 PolarHBondContact O-N 3.31Å; Y698-R702 PolarHBondContact OH-NH1 2.81Å; Y698-R702 VanDerWaalsContact OH-NH1 3.09Å; K699-R702 PolarHBondContact O-N 3.34Å; L700-R702 VanDerWaalsContact C-N 3.35Å; L700-R702 PolarHBondContact O-N 3.09Å; R702-L704 PolarHBondContact O-N 3.43Å; R702-A705 WeakPolarHBondContact O-CB 3.31Å; R702-A705 PolarHBondContact O-N 2.79Å; R702-D706 WeakPolarHBondContact CG-OD2 3.49Å; R702-D706 WeakPolarHBondContact O-CB 3.42Å; R702-D706 PolarHBondContact O-N 2.85Å |
| 703 | R | 87.1 | Confident | 84.5 | Confident | 101 Ų | 101 | 28.3 Ų | 28.3 | 38% | 0.381 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -65.1 | -37.2 | 178.5 | -68.1 | -65.2 | -178.2 | 168.2 | 1.4 | 113.4 | K699 L700 S707 F740 E741 | K699-R703 WeakPolarHBondContact O-CB 3.33Å; K699-R703 VanDerWaalsContact O-CG 3.23Å; K699-R703 WeakPolarHBondContact O-CG 3.48Å; K699-R703 PolarHBondContact O-N 2.87Å; L700-R703 PolarHBondContact O-N 3.36Å; R703-S707 PolarHBondContact O-N 2.78Å; R703-F740 HydrophobicContact CB-CB 4.01Å; R703-F740 HydrophobicContact CB-CD1 3.97Å; R703-F740 HydrophobicContact CB-CG 4.17Å; R703-F740 HydrophobicContact CG-CB 4.19Å; R703-E741 IonicContact NH1-OE1 3.19Å |
| 704 | L | 87.5 | Confident | 84 | Confident | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -69.8 | -36.9 | 174.6 | -68.7 | 176.3 | 0 | 0 | 0 | 112 | L669 L700 I701 R702 Y712 L719 F740 | L669-L704 HydrophobicContact CB-CD1 3.94Å; L669-L704 HydrophobicContact CD1-CD1 4.4Å; L700-L704 HydrophobicContact CD1-CD1 3.99Å; L700-L704 HydrophobicContact CD1-CG 4.02Å; L700-L704 HydrophobicContact CG-CD1 4.01Å; L700-L704 HydrophobicContact CG-CG 4.44Å; L700-L704 WeakPolarHBondContact O-CB 3.3Å; L700-L704 VanDerWaalsContact O-CG 3.25Å; L700-L704 WeakPolarHBondContact O-CG 3.24Å; L700-L704 PolarHBondContact O-N 3.11Å; I701-L704 PolarHBondContact O-N 2.86Å; R702-L704 PolarHBondContact O-N 3.43Å; L704-Y712 HydrophobicContact CD2-CD1 3.86Å; L704-Y712 HydrophobicContact CD2-CE1 3.52Å; L704-Y712 HydrophobicContact CD2-CE2 4.4Å; L704-Y712 HydrophobicContact CD2-CG 4.42Å; L704-L719 HydrophobicContact CB-CD1 3.89Å; L704-F740 HydrophobicContact CD2-CE2 4.24Å; L704-F740 HydrophobicContact CD2-CZ 3.99Å |
| 705 | A | 87 | Confident | 83.8 | Confident | 2 Ų | 2 | 32 Ų | 32 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.6 | -38.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | I701 R702 S707 K716 L719 Q720 | I701-A705 VanDerWaalsContact O-CB 3.31Å; I701-A705 WeakPolarHBondContact O-CB 3.13Å; I701-A705 PolarHBondContact O-N 2.77Å; R702-A705 WeakPolarHBondContact O-CB 3.31Å; R702-A705 PolarHBondContact O-N 2.79Å; A705-S707 VanDerWaalsContact C-N 3.32Å; A705-K716 WeakPolarHBondContact O-CD 3.46Å; A705-K716 WeakPolarHBondContact O-CE 3.27Å; A705-K716 WeakPolarHBondContact O-CG 3.47Å; A705-L719 HydrophobicContact CB-CB 3.99Å; A705-Q720 HydrophobicContact CB-CG 3.75Å |
| 706 | D | 83 | Confident | 84 | Confident | 95 Ų | 95 | 34.2 Ų | 34.2 | 51% | 0.508 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -79.4 | -14.1 | -178.6 | -65.8 | -19.9 | 0 | 0 | 0 | 113 | R702 | R702-D706 WeakPolarHBondContact CG-OD2 3.49Å; R702-D706 WeakPolarHBondContact O-CB 3.42Å; R702-D706 PolarHBondContact O-N 2.85Å |
| 707 | S | 82.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 19% | 0.19 | C | C | . | . | trans | -62.2 | 139.1 | 179.3 | 162.9 | 0 | 0 | 0 | 0 | 112.6 | R703 A705 Q709 Y712 S742 | R703-S707 PolarHBondContact O-N 2.78Å; A705-S707 VanDerWaalsContact C-N 3.32Å; S707-Q709 WeakPolarHBondContact OG-CB 3.46Å; S707-Q709 PolarHBondContact OG-N 2.78Å; S707-Q709 VanDerWaalsContact OG-N 3.16Å; S707-Y712 VanDerWaalsContact OG-CD2 3.25Å; S707-Y712 WeakPolarHBondContact OG-CD2 3.45Å; S707-S742 WeakPolarHBondContact CA-OG 3.16Å; S707-S742 PolarHBondContact OG-OG 2.85Å | ||
| 708 | N | 77.3 | Confident | 83.9 | Confident | 69 Ų | 69 | 44 Ų | 44 | 37% | 0.369 | 20% | 0.201 | S | C | . | . | trans | -90.1 | -2 | 175.8 | 62.6 | 2.7 | 0 | 0 | 0 | 114.2 | Y744 | N708-Y744 PolarHBondContact OD1-N 3.17Š| ||
| 709 | Q | 79.4 | Confident | 84 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -75.7 | 130.4 | -178.8 | -162.9 | 177.9 | 45.7 | 0 | 0 | 111.3 | S707 C711 Y712 Y744 V777 | S707-Q709 WeakPolarHBondContact OG-CB 3.46Å; S707-Q709 PolarHBondContact OG-N 2.78Å; S707-Q709 VanDerWaalsContact OG-N 3.16Å; Q709-C711 PolarHBondContact O-N 2.78Å; Q709-Y712 HydrophobicContact CB-CD2 4.04Å; Q709-Y712 HydrophobicContact CB-CE2 4.28Å; Q709-Y712 PolarHBondContact O-N 3.12Å; Q709-Y712 VanDerWaalsContact O-N 3.12Å; Q709-Y744 HydrophobicContact CG-CD2 4.04Å; Q709-Y744 HydrophobicContact CG-CG 4.47Å; Q709-V777 HydrophobicContact CG-CB 4.5Å; Q709-V777 HydrophobicContact CG-CG2 4.11Å |
| 710 | P | 78.9 | Confident | 84.1 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 5% | 0.052 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -22.9 | -172.7 | -25.2 | 32.3 | 0 | 0 | 0 | 115 | L265 Y712 E713 Y744 | L265-P710 HydrophobicContact CD1-CB 4.41Å; L265-P710 HydrophobicContact CD1-CG 3.98Å; P710-Y712 PolarHBondContact O-N 2.85Å; P710-E713 WeakPolarHBondContact O-CB 3.46Å; P710-E713 PolarHBondContact O-N 3.43Å; P710-Y744 VanDerWaalsContact CD-CZ 3.41Å; P710-Y744 HydrophobicContact CG-CD1 3.96Å; P710-Y744 HydrophobicContact CG-CD2 4.45Å; P710-Y744 HydrophobicContact CG-CE1 3.34Å; P710-Y744 HydrophobicContact CG-CE2 3.93Å; P710-Y744 HydrophobicContact CG-CG 4.47Å; P710-Y744 WeakPolarHBondContact CG-OH 3.5Å |
| 711 | C | 80.4 | Confident | 84 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 14% | 0.135 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.5 | -12.6 | -179.4 | -50.5 | 0 | 0 | 0 | 0 | 114.1 | C259 Q709 V777 | C259-C711 HydrophobicContact CB-CB 4.3Å; C259-C711 WeakPolarHBondContact CB-SG 3.28Å; C259-C711 WeakPolarHBondContact SG-CA 3.44Å; C259-C711 WeakPolarHBondContact SG-CB 3.42Å; C259-C711 PolarHBondContact SG-N 3.13Å; C259-C711 VanDerWaalsContact SG-N 3.38Å; C259-C711 CovalentContact SG-SG 2.04Å; C259-C711 PolarHBondContact SG-SG 3.11Å; Q709-C711 PolarHBondContact O-N 2.78Å; C711-V777 VanDerWaalsContact SG-CG2 3.54Å |
| 712 | Y | 84.3 | Confident | 83.9 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 8% | 0.078 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -108.8 | -9.2 | 175.1 | -53.4 | -66.3 | 0 | 0 | 0 | 112.6 | L704 S707 Q709 P710 E714 N715 K716 F740 D753 R782 | L704-Y712 HydrophobicContact CD2-CD1 3.86Å; L704-Y712 HydrophobicContact CD2-CE1 3.52Å; L704-Y712 HydrophobicContact CD2-CE2 4.4Å; L704-Y712 HydrophobicContact CD2-CG 4.42Å; S707-Y712 VanDerWaalsContact OG-CD2 3.25Å; S707-Y712 WeakPolarHBondContact OG-CD2 3.45Å; Q709-Y712 HydrophobicContact CB-CD2 4.04Å; Q709-Y712 HydrophobicContact CB-CE2 4.28Å; Q709-Y712 PolarHBondContact O-N 3.12Å; Q709-Y712 VanDerWaalsContact O-N 3.12Å; P710-Y712 PolarHBondContact O-N 2.85Å; Y712-E714 VanDerWaalsContact C-N 3.27Å; Y712-E714 PolarHBondContact O-N 2.95Å; Y712-N715 PolarHBondContact O-N 2.8Å; Y712-N715 VanDerWaalsContact O-N 3.15Å; Y712-K716 PolarHBondContact O-N 3.02Å; Y712-F740 HydrophobicContact CE2-CZ 4.1Å; Y712-D753 PolarHBondContact OH-OD2 2.91Å; Y712-R782 PolarHBondContact OH-NH2 3.05Å |
| 713 | E | 79.1 | Confident | 83.8 | Confident | 58 Ų | 58 | 42.3 Ų | 42.3 | 27% | 0.271 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -61.5 | -34.5 | -173 | -164.6 | 68.4 | -159 | 0 | 0 | 112.3 | R261 P710 N715 K716 | R261-E713 PolarHBondContact NH1-O 3.33Å; P710-E713 WeakPolarHBondContact O-CB 3.46Å; P710-E713 PolarHBondContact O-N 3.43Å; E713-N715 VanDerWaalsContact C-N 3.27Å; E713-N715 PolarHBondContact O-N 2.87Å; E713-K716 WeakPolarHBondContact O-CB 3.28Å; E713-K716 PolarHBondContact O-N 3.47Å |
| 714 | E | 76.8 | Confident | 83.6 | Confident | 71 Ų | 71 | 43.7 Ų | 43.7 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.3 | -35.7 | 179.3 | -168.2 | -172.5 | 159.4 | 0 | 0 | 113 | R261 N672 Y712 | R261-E714 HydrophobicContact CG-CB 4.47Å; R261-E714 VanDerWaalsContact CZ-CA 3.5Å; N672-E714 PolarHBondContact ND2-OE2 3.22Å; Y712-E714 VanDerWaalsContact C-N 3.27Å; Y712-E714 PolarHBondContact O-N 2.95Å |
| 715 | N | 82.4 | Confident | 83.3 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -101.7 | -2.7 | -178.9 | -78.8 | -7.9 | 0 | 0 | 0 | 113 | N672 P673 I678 Y712 E713 Q717 K718 L719 | N672-N715 PolarHBondContact OD1-ND2 3.15Å; P673-N715 VanDerWaalsContact CD-ND2 3.33Å; P673-N715 WeakPolarHBondContact CD-ND2 3.43Å; P673-N715 PolarHBondContact O-ND2 3.22Å; P673-N715 PolarHBondContact O-OD1 3.26Å; I678-N715 HydrophobicContact CD1-CB 4.3Å; Y712-N715 PolarHBondContact O-N 2.8Å; Y712-N715 VanDerWaalsContact O-N 3.15Å; E713-N715 VanDerWaalsContact C-N 3.27Å; E713-N715 PolarHBondContact O-N 2.87Å; N715-Q717 PolarHBondContact O-N 2.87Å; N715-K718 PolarHBondContact O-N 3.41Å; N715-K718 VanDerWaalsContact O-N 3.14Å; N715-K718 WeakPolarHBondContact OD1-CD 3.25Å; N715-K718 PolarHBondContact OD1-NZ 3.26Å; N715-L719 HydrophobicContact CB-CD1 4.14Å; N715-L719 HydrophobicContact CB-CG 4.29Å; N715-L719 WeakPolarHBondContact O-CB 3.33Å; N715-L719 VanDerWaalsContact O-CG 3.24Å; N715-L719 WeakPolarHBondContact O-CG 3.44Å; N715-L719 PolarHBondContact O-N 2.89Å |
| 716 | K | 86.7 | Confident | 82.8 | Confident | 49 Ų | 49 | 47 Ų | 47 | 21% | 0.213 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -52.8 | -55.4 | -176.9 | 178.4 | 165.5 | -179.7 | 174.2 | 0 | 112.6 | A705 Y712 E713 K718 L719 Q720 | A705-K716 WeakPolarHBondContact O-CD 3.46Å; A705-K716 WeakPolarHBondContact O-CE 3.27Å; A705-K716 WeakPolarHBondContact O-CG 3.47Å; Y712-K716 PolarHBondContact O-N 3.02Å; E713-K716 WeakPolarHBondContact O-CB 3.28Å; E713-K716 PolarHBondContact O-N 3.47Å; K716-K718 VanDerWaalsContact C-N 3.35Å; K716-K718 PolarHBondContact O-N 3.1Å; K716-L719 PolarHBondContact O-N 2.82Å; K716-Q720 WeakPolarHBondContact O-CB 3.29Å; K716-Q720 VanDerWaalsContact O-CG 3.27Å; K716-Q720 WeakPolarHBondContact O-CG 3.37Å; K716-Q720 PolarHBondContact O-N 3.28Å |
| 717 | Q | 84.4 | Confident | 82.2 | Confident | 155 Ų | 155 | 49.7 Ų | 49.7 | 72% | 0.724 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -59.8 | -45.1 | 177.9 | -71.6 | 176.9 | -20.3 | 0 | 0 | 111.6 | N715 L719 Q720 T721 | N715-Q717 PolarHBondContact O-N 2.87Å; Q717-L719 VanDerWaalsContact C-N 3.34Å; Q717-L719 PolarHBondContact O-N 2.89Å; Q717-Q720 PolarHBondContact O-N 3.46Å; Q717-T721 PolarHBondContact O-N 3.02Å; Q717-T721 PolarHBondContact O-OG1 3.36Å |
| 718 | K | 88.6 | Confident | 81.3 | Confident | 53 Ų | 53 | 55.4 Ų | 55.4 | 23% | 0.23 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | -180 | -54.9 | 174.7 | -162.7 | 158.7 | 0 | 111.7 | R675 I678 N715 K716 V722 | R675-K718 HydrophobicContact CB-CD 4.35Å; I678-K718 HydrophobicContact CD1-CB 3.57Å; I678-K718 HydrophobicContact CD1-CD 3.89Å; I678-K718 HydrophobicContact CD1-CG 4.38Å; I678-K718 HydrophobicContact CG2-CB 4.43Å; N715-K718 PolarHBondContact O-N 3.41Å; N715-K718 VanDerWaalsContact O-N 3.14Å; N715-K718 WeakPolarHBondContact OD1-CD 3.25Å; N715-K718 PolarHBondContact OD1-NZ 3.26Å; K716-K718 VanDerWaalsContact C-N 3.35Å; K716-K718 PolarHBondContact O-N 3.1Å; K718-V722 PolarHBondContact O-N 3.08Å |
| 719 | L | 89.3 | Confident | 80.3 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 4% | 0.037 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69.7 | -38.2 | 178 | -68.8 | 171.6 | 0 | 0 | 0 | 111.9 | L669 I678 I701 L704 A705 N715 K716 Q717 V722 A723 | L669-L719 HydrophobicContact CD2-CD2 3.72Å; I678-L719 HydrophobicContact CD1-CD2 4.32Å; I678-L719 HydrophobicContact CG1-CD2 4.43Å; I678-L719 HydrophobicContact CG2-CD2 4.42Å; I701-L719 HydrophobicContact CB-CD2 4.48Å; I701-L719 HydrophobicContact CG1-CD2 4.18Å; I701-L719 HydrophobicContact CG2-CB 3.95Å; I701-L719 HydrophobicContact CG2-CD2 3.96Å; I701-L719 VanDerWaalsContact CG2-O 3.29Å; I701-L719 WeakPolarHBondContact CG2-O 3.42Å; L704-L719 HydrophobicContact CB-CD1 3.89Å; A705-L719 HydrophobicContact CB-CB 3.99Å; N715-L719 HydrophobicContact CB-CD1 4.14Å; N715-L719 HydrophobicContact CB-CG 4.29Å; N715-L719 WeakPolarHBondContact O-CB 3.33Å; N715-L719 VanDerWaalsContact O-CG 3.24Å; N715-L719 WeakPolarHBondContact O-CG 3.44Å; N715-L719 PolarHBondContact O-N 2.89Å; K716-L719 PolarHBondContact O-N 2.82Å; Q717-L719 VanDerWaalsContact C-N 3.34Å; Q717-L719 PolarHBondContact O-N 2.89Å; L719-V722 PolarHBondContact O-N 3.32Å; L719-A723 WeakPolarHBondContact O-CB 3.27Å; L719-A723 PolarHBondContact O-N 2.71Å |
| 720 | Q | 87.4 | Confident | 79.1 | Confident | 75 Ų | 75 | 62 Ų | 62 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.7 | -43.2 | 174.5 | -74 | 175.4 | -29 | 0 | 0 | 111.6 | A705 K716 Q717 V722 A723 K724 | A705-Q720 HydrophobicContact CB-CG 3.75Å; K716-Q720 WeakPolarHBondContact O-CB 3.29Å; K716-Q720 VanDerWaalsContact O-CG 3.27Å; K716-Q720 WeakPolarHBondContact O-CG 3.37Å; K716-Q720 PolarHBondContact O-N 3.28Å; Q717-Q720 PolarHBondContact O-N 3.46Å; Q720-V722 PolarHBondContact O-N 2.82Å; Q720-A723 PolarHBondContact O-N 3.13Å; Q720-K724 WeakPolarHBondContact O-CG 3.3Å; Q720-K724 PolarHBondContact O-N 3.22Å |
| 721 | T | 86.5 | Confident | 78 | Confident | 66 Ų | 66 | 64.6 Ų | 64.6 | 41% | 0.405 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 175.9 | -45.1 | 0 | 0 | 0 | 0 | 111.5 | R675 Q717 K724 S725 | R675-T721 PolarHBondContact NH1-OG1 3.47Å; Q717-T721 PolarHBondContact O-N 3.02Å; Q717-T721 PolarHBondContact O-OG1 3.36Å; T721-K724 PolarHBondContact O-N 3Å; T721-S725 PolarHBondContact O-N 2.53Å |
| 722 | V | 87 | Confident | 76.5 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.1 | -36.7 | 178.7 | 169.3 | 0 | 0 | 0 | 0 | 111.8 | I678 I701 K718 L719 Q720 K724 S725 V726 | I678-V722 HydrophobicContact CG2-CB 4.04Å; I678-V722 HydrophobicContact CG2-CG2 3.42Å; I678-V722 VanDerWaalsContact CG2-CG2 3.42Å; I701-V722 HydrophobicContact CD1-CG1 4.18Å; K718-V722 PolarHBondContact O-N 3.08Å; L719-V722 PolarHBondContact O-N 3.32Å; Q720-V722 PolarHBondContact O-N 2.82Å; V722-K724 VanDerWaalsContact C-N 3.29Å; V722-K724 PolarHBondContact O-N 2.75Å; V722-S725 PolarHBondContact O-N 2.87Å; V722-S725 VanDerWaalsContact O-N 3.13Å; V722-S725 PolarHBondContact O-OG 3.46Å; V722-S725 VanDerWaalsContact O-OG 3.06Å; V722-V726 WeakPolarHBondContact O-CG2 3.33Å; V722-V726 PolarHBondContact O-N 3.34Å |
| 723 | A | 84 | Confident | 74.9 | Confident | 18 Ų | 18 | 72.4 Ų | 72.4 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.6 | -38.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y698 I701 L719 Q720 S725 | Y698-A723 HydrophobicContact CE2-CB 4.35Å; Y698-A723 WeakPolarHBondContact CE2-O 3.37Å; I701-A723 HydrophobicContact CG2-CB 4.1Å; L719-A723 WeakPolarHBondContact O-CB 3.27Å; L719-A723 PolarHBondContact O-N 2.71Å; Q720-A723 PolarHBondContact O-N 3.13Å; A723-S725 VanDerWaalsContact C-N 3.31Å; A723-S725 PolarHBondContact O-N 3.09Å |
| 724 | K | 83 | Confident | 73.3 | Confident | 131 Ų | 131 | 73.6 Ų | 73.6 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.2 | -30.4 | 175.2 | -73.8 | 179.1 | 169 | -172.9 | 0 | 112.7 | Q720 T721 V722 D1558 | Q720-K724 WeakPolarHBondContact O-CG 3.3Å; Q720-K724 PolarHBondContact O-N 3.22Å; T721-K724 PolarHBondContact O-N 3Å; V722-K724 VanDerWaalsContact C-N 3.29Å; V722-K724 PolarHBondContact O-N 2.75Å; K724-D1558 IonicContact NZ-OD1 3.56Å; K724-D1558 PolarHBondContact NZ-OD1 3.13Å; K724-D1558 IonicContact NZ-OD2 2.87Å; K724-D1558 PolarHBondContact NZ-OD2 2.94Å |
| 725 | S | 81 | Confident | 71.9 | Confident | 68 Ų | 68 | 74.7 Ų | 74.7 | 48% | 0.476 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 0.7 | -176.8 | 71.8 | 0 | 0 | 0 | 0 | 115.2 | N686 T721 V722 A723 | N686-S725 PolarHBondContact ND2-O 3.36Å; T721-S725 PolarHBondContact O-N 2.53Å; V722-S725 PolarHBondContact O-N 2.87Å; V722-S725 VanDerWaalsContact O-N 3.13Å; V722-S725 PolarHBondContact O-OG 3.46Å; V722-S725 VanDerWaalsContact O-OG 3.06Å; A723-S725 VanDerWaalsContact C-N 3.31Å; A723-S725 PolarHBondContact O-N 3.09Å |
| 726 | V | 77.4 | Confident | 70.3 | Confident | 12 Ų | 12 | 74.6 Ų | 74.6 | 7% | 0.073 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -79.7 | 128.1 | 179.1 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | I685 N686 Y698 V722 R728 N730 | I685-V726 HydrophobicContact CB-CG2 4.48Å; I685-V726 HydrophobicContact CG2-CB 4.47Å; I685-V726 HydrophobicContact CG2-CG1 3.74Å; I685-V726 HydrophobicContact CG2-CG2 3.79Å; N686-V726 VanDerWaalsContact OD1-CA 3.27Å; N686-V726 WeakPolarHBondContact OD1-CA 3.37Å; Y698-V726 HydrophobicContact CD2-CB 3.83Å; Y698-V726 HydrophobicContact CD2-CG1 3.89Å; Y698-V726 HydrophobicContact CD2-CG2 4.07Å; Y698-V726 HydrophobicContact CE2-CB 4.33Å; Y698-V726 HydrophobicContact CG-CG1 4.44Å; V722-V726 WeakPolarHBondContact O-CG2 3.33Å; V722-V726 PolarHBondContact O-N 3.34Å; V726-R728 PolarHBondContact O-N 2.78Å; V726-N730 HydrophobicContact CG1-CB 4.25Å |
| 727 | R | 70.4 | Confident | 69 | Low | 153 Ų | 153 | 77.4 Ų | 77.4 | 58% | 0.577 | 37% | 0.369 | S | S | * | . | trans | -57.6 | 132.8 | -179.6 | -69 | 178.2 | 174.1 | 179.6 | -2.4 | 112.5 | N686 R729 N730 | N686-R727 PolarHBondContact OD1-N 3.16Å; R727-R729 VanDerWaalsContact C-N 3.26Å; R727-R729 PolarHBondContact O-N 3.14Å; R727-R729 VanDerWaalsContact O-N 3.13Å; R727-N730 WeakPolarHBondContact O-CB 3.43Å; R727-N730 PolarHBondContact O-N 2.83Å | ||
| 728 | R | 63.4 | Low | 68.5 | Low | 121 Ų | 121 | 70.5 Ų | 70.5 | 46% | 0.457 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -55.8 | -32.3 | -179.1 | -67.8 | -173 | -173.2 | -167.6 | 1.2 | 115.1 | V726 N730 L731 D1556 | V726-R728 PolarHBondContact O-N 2.78Å; R728-N730 PolarHBondContact O-N 3.2Å; R728-N730 VanDerWaalsContact O-N 3.07Å; R728-L731 HydrophobicContact CB-CD1 4.32Å; R728-L731 HydrophobicContact CG-CD1 4.23Å; R728-L731 VanDerWaalsContact O-CB 3.28Å; R728-L731 WeakPolarHBondContact O-CB 3.37Å; R728-L731 PolarHBondContact O-N 2.88Å; R728-D1556 IonicContact CZ-OD2 3.09Å; R728-D1556 IonicContact NE-OD2 2.94Å; R728-D1556 IonicContact NH2-OD2 3.35Å; R728-D1556 PolarHBondContact NH2-OD2 3.32Å |
| 729 | R | 56.8 | Low | 67.5 | Low | 194 Ų | 194 | 71 Ų | 71 | 73% | 0.732 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -57.8 | -21.7 | 176.3 | -72.3 | -175.5 | -175.1 | 169.8 | 1.4 | 113.3 | R727 L731 | R727-R729 VanDerWaalsContact C-N 3.26Å; R727-R729 PolarHBondContact O-N 3.14Å; R727-R729 VanDerWaalsContact O-N 3.13Å; R729-L731 VanDerWaalsContact C-N 3.35Å |
| 730 | N | 52.7 | Low | 66.9 | Low | 15 Ų | 15 | 71.1 Ų | 71.1 | 8% | 0.08 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -84.3 | -6.5 | 177.4 | -65.5 | -22.4 | 0 | 0 | 0 | 113.6 | I685 A694 V726 R727 R728 | I685-N730 PolarHBondContact O-ND2 3.14Å; A694-N730 HydrophobicContact CB-CB 4Å; V726-N730 HydrophobicContact CG1-CB 4.25Å; R727-N730 WeakPolarHBondContact O-CB 3.43Å; R727-N730 PolarHBondContact O-N 2.83Å; R728-N730 PolarHBondContact O-N 3.2Å; R728-N730 VanDerWaalsContact O-N 3.07Å |
| 731 | L | 56.7 | Low | 66 | Low | 62 Ų | 62 | 71.5 Ų | 71.5 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -94.5 | -18 | -171 | -57 | 176.6 | 0 | 0 | 0 | 114.4 | Y698 R728 R729 L733 | Y698-L731 HydrophobicContact CD1-CD2 3.33Å; Y698-L731 HydrophobicContact CD2-CD2 3.77Å; Y698-L731 HydrophobicContact CE1-CD2 3.23Å; Y698-L731 HydrophobicContact CE2-CD2 3.63Å; Y698-L731 HydrophobicContact CG-CD2 3.61Å; R728-L731 HydrophobicContact CB-CD1 4.32Å; R728-L731 HydrophobicContact CG-CD1 4.23Å; R728-L731 VanDerWaalsContact O-CB 3.28Å; R728-L731 WeakPolarHBondContact O-CB 3.37Å; R728-L731 PolarHBondContact O-N 2.88Å; R729-L731 VanDerWaalsContact C-N 3.35Å; L731-L733 PolarHBondContact O-N 2.82Å |
| 732 | Q | 49.2 | Very low | 65.4 | Low | 159 Ų | 159 | 69.5 Ų | 69.5 | 74% | 0.743 | 33% | 0.333 | S | S | * | . | trans | -88.8 | 16.8 | -164.3 | -68.7 | -178 | -18.2 | 0 | 0 | 116.1 | P734 | Q732-P734 WeakPolarHBondContact O-CD 3.07Š| ||
| 733 | L | 50.8 | Low | 64.5 | Low | 45 Ų | 45 | 71.9 Ų | 71.9 | 24% | 0.236 | 35% | 0.347 | C | S | . | . | trans | -97.8 | 118.2 | -178.5 | -81.3 | 169.9 | 0 | 0 | 0 | 113.6 | R691 R692 L731 H735 | R691-L733 HydrophobicContact CB-CD1 3.3Å; R691-L733 HydrophobicContact CB-CG 4.46Å; R691-L733 HydrophobicContact CG-CD1 4.47Å; R692-L733 HydrophobicContact CG-CD1 4.42Å; L731-L733 PolarHBondContact O-N 2.82Å; L733-H735 VanDerWaalsContact C-N 3.26Å; L733-H735 PolarHBondContact O-N 3.37Å | ||
| 734 | P | 44.6 | Very low | 64 | Low | 83 Ų | 83 | 71.9 Ų | 71.9 | 54% | 0.539 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -2.5 | 178.3 | 28.5 | -33 | 0 | 0 | 0 | 114.6 | Q732 | Q732-P734 WeakPolarHBondContact O-CD 3.07Š|
| 735 | H | 46.6 | Very low | 63.2 | Low | 94 Ų | 94 | 66.3 Ų | 66.3 | 44% | 0.435 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -15.7 | -164.9 | -63 | -38.4 | 0 | 0 | 0 | 116.3 | L733 Y760 | L733-H735 VanDerWaalsContact C-N 3.26Å; L733-H735 PolarHBondContact O-N 3.37Å; H735-Y760 WeakPolarHBondContact O-CE2 3.46Å |
| 736 | S | 49.1 | Very low | 62.6 | Low | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | trans | -113.4 | 68.1 | 176.4 | -56.5 | 0 | 0 | 0 | 0 | 110.7 | K699 | K699-S736 WeakPolarHBondContact CD-O 3.42Å; K699-S736 PolarHBondContact NZ-O 2.84Å | ||
| 737 | D | 59.4 | Low | 61.7 | Low | 109 Ų | 109 | 75.5 Ų | 75.5 | 58% | 0.583 | 35% | 0.347 | S | S | * | . | trans | -87.1 | 120.1 | 175.4 | -123.2 | 10.6 | 0 | 0 | 0 | 110.6 | K699 P758 | K699-D737 IonicContact NZ-OD1 3.33Å; K699-D737 PolarHBondContact NZ-OD1 3.31Å; D737-P758 WeakPolarHBondContact O-CG 3.29Å | ||
| 738 | M | 73.9 | Confident | 61.2 | Low | 9 Ų | 9 | 68.5 Ų | 68.5 | 4% | 0.044 | 32% | 0.321 | C | S | . | . | trans | -105.7 | 147.5 | 173.8 | 66.9 | 172.6 | 59.6 | 0 | 0 | 109.8 | F696 K699 L700 I756 | F696-M738 HydrophobicContact CD2-CE 3.36Å; F696-M738 HydrophobicContact CE2-CE 3.44Å; F696-M738 VanDerWaalsContact CE2-CE 3.44Å; F696-M738 HydrophobicContact CG-CE 3.97Å; F696-M738 HydrophobicContact CZ-CE 4.1Å; F696-M738 WeakPolarHBondContact O-CE 3.41Å; K699-M738 HydrophobicContact CB-CE 4.29Å; K699-M738 HydrophobicContact CB-CG 4.26Å; K699-M738 HydrophobicContact CB-SD 4.14Å; L700-M738 HydrophobicContact CB-CE 4.01Å; L700-M738 HydrophobicContact CB-SD 4.06Å; L700-M738 HydrophobicContact CD1-SD 4.36Å; M738-I756 WeakPolarHBondContact CA-O 3.48Å | ||
| 739 | I | 67.9 | Low | 61.4 | Low | 65 Ų | 65 | 64.2 Ų | 64.2 | 33% | 0.333 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 127.2 | 170.9 | -62 | 167.5 | 0 | 0 | 0 | 106.5 | E741 F754 F755 I756 | I739-E741 HydrophobicContact CG2-CG 4.22Å; I739-F754 HydrophobicContact CG2-CD1 4.11Å; I739-F754 HydrophobicContact CG2-CE1 4.05Å; I739-F755 CarbonylContact O-C 3.46Å; I739-F755 WeakPolarHBondContact O-CA 3.28Å; I739-I756 HydrophobicContact CB-CB 4.18Å; I739-I756 HydrophobicContact CD1-CD1 4.03Å; I739-I756 PolarHBondContact N-O 3.06Å; I739-I756 PolarHBondContact O-N 3.43Å |
| 740 | F | 77.9 | Confident | 61.9 | Low | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 110.3 | 170.2 | -177.3 | -81.4 | 0 | 0 | 0 | 106.8 | R703 L704 Y712 D753 F754 F755 M757 | R703-F740 HydrophobicContact CB-CB 4.01Å; R703-F740 HydrophobicContact CB-CD1 3.97Å; R703-F740 HydrophobicContact CB-CG 4.17Å; R703-F740 HydrophobicContact CG-CB 4.19Å; L704-F740 HydrophobicContact CD2-CE2 4.24Å; L704-F740 HydrophobicContact CD2-CZ 3.99Å; Y712-F740 HydrophobicContact CE2-CZ 4.1Å; F740-D753 HydrophobicContact CE1-CB 4.49Å; F740-D753 HydrophobicContact CE2-CB 4.24Å; F740-D753 HydrophobicContact CZ-CB 3.91Å; F740-F754 WeakPolarHBondContact CA-O 3.24Å; F740-F755 HydrophobicContact CD2-CB 3.85Å; F740-M757 HydrophobicContact CD2-CE 3.91Å |
| 741 | E | 68.4 | Low | 62.8 | Low | 84 Ų | 84 | 55.6 Ų | 55.6 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.3 | -179.8 | -64.2 | -60.1 | 159.8 | 0 | 0 | 108.6 | R703 I739 D753 F754 M1352 | R703-E741 IonicContact NH1-OE1 3.19Å; I739-E741 HydrophobicContact CG2-CG 4.22Å; E741-D753 CarbonylContact O-C 3.52Å; E741-D753 VanDerWaalsContact O-CA 3.29Å; E741-D753 WeakPolarHBondContact O-CA 3.33Å; E741-F754 PolarHBondContact N-O 3.08Å; E741-F754 PolarHBondContact O-N 3.37Å; E741-M1352 HydrophobicContact CG-CE 4.35Å |
| 742 | S | 72.7 | Confident | 63.8 | Low | 24 Ų | 24 | 56.6 Ų | 56.6 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.6 | -178.3 | 64.3 | 0 | 0 | 0 | 0 | 110.9 | S707 | S707-S742 WeakPolarHBondContact CA-OG 3.16Å; S707-S742 PolarHBondContact OG-OG 2.85Å |
| 743 | V | 68.9 | Low | 65.3 | Low | 53 Ų | 53 | 49 Ų | 49 | 32% | 0.321 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.9 | 173.6 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | G751 F752 L1085 | V743-G751 CarbonylContact O-C 3.47Å; V743-G751 WeakPolarHBondContact O-CA 2.91Å; V743-F752 HydrophobicContact CB-CE1 4.17Å; V743-F752 HydrophobicContact CB-CZ 4.22Å; V743-F752 HydrophobicContact CG2-CE2 4.48Å; V743-F752 HydrophobicContact CG2-CZ 4.12Å; V743-F752 PolarHBondContact N-O 2.73Å; V743-F752 PolarHBondContact O-N 2.68Å; V743-L1085 HydrophobicContact CG1-CD1 3.51Å |
| 744 | Y | 72.6 | Confident | 66.6 | Low | 17 Ų | 17 | 50.4 Ų | 50.4 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 132.6 | 175.9 | -175.2 | -98.8 | 0 | 0 | 0 | 111.2 | N708 Q709 P710 R746 K749 T750 V777 | N708-Y744 PolarHBondContact OD1-N 3.17Å; Q709-Y744 HydrophobicContact CG-CD2 4.04Å; Q709-Y744 HydrophobicContact CG-CG 4.47Å; P710-Y744 VanDerWaalsContact CD-CZ 3.41Å; P710-Y744 HydrophobicContact CG-CD1 3.96Å; P710-Y744 HydrophobicContact CG-CD2 4.45Å; P710-Y744 HydrophobicContact CG-CE1 3.34Å; P710-Y744 HydrophobicContact CG-CE2 3.93Å; P710-Y744 HydrophobicContact CG-CG 4.47Å; P710-Y744 WeakPolarHBondContact CG-OH 3.5Å; Y744-R746 HydrophobicContact CD1-CG 4.02Å; Y744-R746 HydrophobicContact CE1-CB 4.4Å; Y744-R746 HydrophobicContact CE1-CG 3.95Å; Y744-K749 WeakPolarHBondContact OH-CA 3.34Å; Y744-T750 WeakPolarHBondContact CD2-O 3.13Å; Y744-V777 HydrophobicContact CE2-CG1 4.07Å |
| 745 | D | 66.7 | Low | 68.3 | Low | 14 Ų | 14 | 46.5 Ų | 46.5 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 111.9 | 171.8 | -165.3 | -48.4 | 0 | 0 | 0 | 109 | E747 K748 K749 T750 L1085 | D745-E747 WeakPolarHBondContact OD1-CA 3.39Å; D745-E747 WeakPolarHBondContact OD1-CB 3.49Å; D745-E747 PolarHBondContact OD1-N 2.74Å; D745-K748 HydrophobicContact CB-CB 4.11Å; D745-K748 PolarHBondContact OD1-N 3.4Å; D745-K749 PolarHBondContact O-N 2.84Å; D745-T750 PolarHBondContact N-O 3.36Å; D745-T750 PolarHBondContact O-N 2.77Å; D745-L1085 HydrophobicContact CB-CB 4.39Å; D745-L1085 HydrophobicContact CB-CD1 3.99Å; D745-L1085 HydrophobicContact CB-CD2 4.04Å; D745-L1085 HydrophobicContact CB-CG 4.35Å; D745-L1085 WeakPolarHBondContact OD2-CB 3.23Å |
| 746 | R | 68.9 | Low | 69.9 | Low | 170 Ų | 170 | 44.3 Ų | 44.3 | 64% | 0.642 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -35.7 | 179.4 | -76.5 | -172.6 | 177.1 | -173.3 | -1.6 | 112.7 | Y744 | Y744-R746 HydrophobicContact CD1-CG 4.02Å; Y744-R746 HydrophobicContact CE1-CB 4.4Å; Y744-R746 HydrophobicContact CE1-CG 3.95Å |
| 747 | E | 58.6 | Low | 71.6 | Confident | 104 Ų | 104 | 44.4 Ų | 44.4 | 49% | 0.486 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -61.5 | 177.1 | -73.4 | 166.5 | -167 | 0 | 0 | 107 | N307 D745 K749 H1086 | N307-E747 PolarHBondContact ND2-O 3.2Å; N307-E747 PolarHBondContact OD1-O 3.13Å; D745-E747 WeakPolarHBondContact OD1-CA 3.39Å; D745-E747 WeakPolarHBondContact OD1-CB 3.49Å; D745-E747 PolarHBondContact OD1-N 2.74Å; E747-K749 PolarHBondContact O-N 2.83Å; E747-K749 VanDerWaalsContact O-N 3.13Å; E747-H1086 IonicContact OE2-CE1 3.18Å; E747-H1086 PolarHBondContact OE2-CE1 2.92Å |
| 748 | K | 59.3 | Low | 72.6 | Confident | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -2.3 | -172 | -61.8 | 179.3 | 176.8 | -178.3 | 0 | 116.4 | N307 D745 T750 L1085 | N307-K748 WeakPolarHBondContact OD1-CA 3.18Å; D745-K748 HydrophobicContact CB-CB 4.11Å; D745-K748 PolarHBondContact OD1-N 3.4Å; K748-T750 HydrophobicContact CB-CG2 3.84Å; K748-T750 PolarHBondContact O-N 2.98Å; K748-T750 VanDerWaalsContact O-N 3.15Å; K748-L1085 PolarHBondContact NZ-O 2.85Å |
| 749 | K | 67.7 | Low | 73.1 | Confident | 30 Ų | 30 | 39.3 Ų | 39.3 | 13% | 0.13 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 37.1 | -176.5 | -56.3 | 173.4 | -177.3 | 170.9 | 0 | 113.4 | R267 Y744 D745 E747 R779 | R267-K749 PolarHBondContact O-NZ 2.91Å; Y744-K749 WeakPolarHBondContact OH-CA 3.34Å; D745-K749 PolarHBondContact O-N 2.84Å; E747-K749 PolarHBondContact O-N 2.83Å; E747-K749 VanDerWaalsContact O-N 3.13Å; K749-R779 PolarHBondContact O-N 3.42Å |
| 750 | T | 68 | Low | 73.5 | Confident | 26 Ų | 26 | 37.6 Ų | 37.6 | 16% | 0.16 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 148.2 | 180 | -171.3 | 0 | 0 | 0 | 0 | 111.7 | Y744 D745 K748 V777 L1085 | Y744-T750 WeakPolarHBondContact CD2-O 3.13Å; D745-T750 PolarHBondContact N-O 3.36Å; D745-T750 PolarHBondContact O-N 2.77Å; K748-T750 HydrophobicContact CB-CG2 3.84Å; K748-T750 PolarHBondContact O-N 2.98Å; K748-T750 VanDerWaalsContact O-N 3.15Å; T750-V777 CarbonylContact C-O 3.52Å; T750-V777 WeakPolarHBondContact CA-O 3.08Å; T750-V777 PolarHBondContact OG1-O 3.01Å; T750-V777 VanDerWaalsContact OG1-O 3.1Å; T750-L1085 HydrophobicContact CG2-CD2 4.18Å |
| 751 | G | 70.3 | Confident | 73.3 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 171.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V743 V777 | V743-G751 CarbonylContact O-C 3.47Å; V743-G751 WeakPolarHBondContact O-CA 2.91Å; G751-V777 PolarHBondContact N-O 3.45Å; G751-V777 PolarHBondContact O-N 3.29Å |
| 752 | F | 78.1 | Confident | 72.9 | Confident | 84 Ų | 84 | 39 Ų | 39 | 37% | 0.368 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 154.7 | 174.5 | 64.8 | -88.7 | 0 | 0 | 0 | 110.2 | V743 I774 N775 | V743-F752 HydrophobicContact CB-CE1 4.17Å; V743-F752 HydrophobicContact CB-CZ 4.22Å; V743-F752 HydrophobicContact CG2-CE2 4.48Å; V743-F752 HydrophobicContact CG2-CZ 4.12Å; V743-F752 PolarHBondContact N-O 2.73Å; V743-F752 PolarHBondContact O-N 2.68Å; F752-I774 HydrophobicContact CB-CG2 4.23Å; F752-N775 CarbonylContact C-O 3.44Å; F752-N775 WeakPolarHBondContact CA-O 3.47Å; F752-N775 VanDerWaalsContact CB-O 3.3Å; F752-N775 WeakPolarHBondContact CB-O 3.5Å |
| 753 | D | 80.8 | Confident | 72.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 144.7 | 164.1 | 64.9 | 32.7 | 0 | 0 | 0 | 108.9 | Y712 F740 E741 I774 N775 R782 | Y712-D753 PolarHBondContact OH-OD2 2.91Å; F740-D753 HydrophobicContact CE1-CB 4.49Å; F740-D753 HydrophobicContact CE2-CB 4.24Å; F740-D753 HydrophobicContact CZ-CB 3.91Å; E741-D753 CarbonylContact O-C 3.52Å; E741-D753 VanDerWaalsContact O-CA 3.29Å; E741-D753 WeakPolarHBondContact O-CA 3.33Å; D753-I774 CarbonylContact O-C 3.53Å; D753-I774 WeakPolarHBondContact O-CA 3.42Å; D753-N775 PolarHBondContact N-O 2.99Å; D753-N775 PolarHBondContact O-N 2.82Å; D753-N775 WeakPolarHBondContact OD1-CA 3.36Å; D753-N775 WeakPolarHBondContact OD1-CB 3.38Å; D753-N775 PolarHBondContact OD1-N 2.97Å; D753-N775 PolarHBondContact OD1-ND2 2.7Å; D753-N775 PolarHBondContact OD2-ND2 3Å; D753-R782 IonicContact OD2-NH2 3.28Å |
| 754 | F | 77.6 | Confident | 71.8 | Confident | 73 Ų | 73 | 41.8 Ų | 41.8 | 32% | 0.32 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.4 | 170.9 | 171.8 | -95.6 | 0 | 0 | 0 | 107.9 | I739 F740 E741 I756 G773 I774 | I739-F754 HydrophobicContact CG2-CD1 4.11Å; I739-F754 HydrophobicContact CG2-CE1 4.05Å; F740-F754 WeakPolarHBondContact CA-O 3.24Å; E741-F754 PolarHBondContact N-O 3.08Å; E741-F754 PolarHBondContact O-N 3.37Å; F754-I756 HydrophobicContact CE1-CD1 3.81Å; F754-I756 HydrophobicContact CE1-CG1 3.8Å; F754-I756 HydrophobicContact CZ-CD1 3.66Å; F754-I756 HydrophobicContact CZ-CG1 3.68Å; F754-G773 WeakPolarHBondContact CA-O 3.33Å; F754-I774 HydrophobicContact CD2-CG1 4.02Å |
| 755 | F | 81.4 | Confident | 71.1 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 146.4 | -179.3 | 62.9 | -85.8 | 0 | 0 | 0 | 113.1 | I739 F740 M757 R771 A772 G773 N785 | I739-F755 CarbonylContact O-C 3.46Å; I739-F755 WeakPolarHBondContact O-CA 3.28Å; F740-F755 HydrophobicContact CD2-CB 3.85Å; F755-M757 HydrophobicContact CB-CE 3.86Å; F755-M757 HydrophobicContact CD2-CE 3.94Å; F755-M757 HydrophobicContact CD2-CG 4.07Å; F755-M757 HydrophobicContact CD2-SD 3.95Å; F755-M757 HydrophobicContact CG-CE 4.07Å; F755-R771 HydrophobicContact CE2-CG 3.83Å; F755-A772 CarbonylContact O-C 3.46Å; F755-A772 WeakPolarHBondContact O-CA 3.43Å; F755-G773 VanDerWaalsContact CD1-O 3.26Å; F755-G773 WeakPolarHBondContact CD1-O 3.29Å; F755-G773 VanDerWaalsContact CE1-C 3.42Å; F755-G773 WeakPolarHBondContact CE1-O 3.28Å; F755-G773 PolarHBondContact N-O 3.26Å; F755-G773 PolarHBondContact O-N 2.03Å; F755-N785 WeakPolarHBondContact CZ-OD1 3.37Å |
| 756 | I | 79.6 | Confident | 70.8 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 25% | 0.246 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 118.2 | 165.9 | -60.3 | 172.4 | 0 | 0 | 0 | 107.1 | M738 I739 F754 M770 R771 A772 | M738-I756 WeakPolarHBondContact CA-O 3.48Å; I739-I756 HydrophobicContact CB-CB 4.18Å; I739-I756 HydrophobicContact CD1-CD1 4.03Å; I739-I756 PolarHBondContact N-O 3.06Å; I739-I756 PolarHBondContact O-N 3.43Å; F754-I756 HydrophobicContact CE1-CD1 3.81Å; F754-I756 HydrophobicContact CE1-CG1 3.8Å; F754-I756 HydrophobicContact CZ-CD1 3.66Å; F754-I756 HydrophobicContact CZ-CG1 3.68Å; I756-M770 HydrophobicContact CG2-CG 4.39Å; I756-M770 HydrophobicContact CG2-SD 4.24Å; I756-R771 CarbonylContact C-O 3.56Å; I756-R771 WeakPolarHBondContact CA-O 3.3Å; I756-A772 HydrophobicContact CG1-CB 3.99Å |
| 757 | M | 85.5 | Confident | 70.9 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 93.1 | -172.2 | -64.5 | 179.7 | 179.7 | 0 | 0 | 110.3 | Q666 L700 F740 F755 M770 R771 | Q666-M757 HydrophobicContact CG-SD 4.42Å; Q666-M757 PolarHBondContact NE2-SD 3.42Å; L700-M757 HydrophobicContact CD1-CE 3.88Å; F740-M757 HydrophobicContact CD2-CE 3.91Å; F755-M757 HydrophobicContact CB-CE 3.86Å; F755-M757 HydrophobicContact CD2-CE 3.94Å; F755-M757 HydrophobicContact CD2-CG 4.07Å; F755-M757 HydrophobicContact CD2-SD 3.95Å; F755-M757 HydrophobicContact CG-CE 4.07Å; M757-M770 WeakPolarHBondContact O-CA 3.49Å; M757-R771 PolarHBondContact N-O 3.32Å; M757-R771 PolarHBondContact O-N 3.09Å; M757-R771 VanDerWaalsContact O-N 3.09Å |
| 758 | P | 80.1 | Confident | 71.8 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 7% | 0.065 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 136.7 | 172.1 | 32.4 | -32.8 | 0 | 0 | 0 | 111.5 | D737 Y760 P767 | D737-P758 WeakPolarHBondContact O-CG 3.29Å; P758-Y760 HydrophobicContact CB-CD2 4.44Å; P758-Y760 HydrophobicContact CB-CE2 3.66Å; P758-Y760 HydrophobicContact CG-CE2 3.85Å; P758-P767 HydrophobicContact CB-CB 4.04Å; P758-P767 HydrophobicContact CB-CG 3.86Å |
| 759 | M | 85.3 | Confident | 73 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 113 | 178.3 | -60.8 | -179.9 | -174.8 | 0 | 0 | 109.3 | A659 M662 A663 F696 P767 K768 F769 | A659-M759 HydrophobicContact CB-CB 4.43Å; M662-M759 HydrophobicContact CB-CG 4.19Å; M662-M759 HydrophobicContact CB-SD 4.16Å; M662-M759 HydrophobicContact CE-CB 3.9Å; M662-M759 HydrophobicContact SD-CB 4.39Å; A663-M759 HydrophobicContact CB-CE 4.25Å; A663-M759 HydrophobicContact CB-SD 4.13Å; F696-M759 HydrophobicContact CE2-CE 4.47Å; F696-M759 HydrophobicContact CE2-CG 4.26Å; F696-M759 HydrophobicContact CZ-CE 4.03Å; M759-P767 CarbonylContact O-C 3.52Å; M759-P767 WeakPolarHBondContact O-CA 3.5Å; M759-K768 PolarHBondContact O-N 3.1Å; M759-F769 HydrophobicContact CB-CB 4.35Å; M759-F769 HydrophobicContact CE-CD1 4.33Å; M759-F769 PolarHBondContact N-O 3.06Å; M759-F769 PolarHBondContact O-N 3.02Å; M759-F769 HydrophobicContact SD-CD1 3.81Å |
| 760 | Y | 76.3 | Confident | 73.7 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 12% | 0.118 | 20% | 0.196 | C | C | . | . | trans | -104.6 | 151.4 | -175.6 | -60.8 | -94.3 | 0 | 0 | 0 | 112.9 | S658 M662 R692 H735 P758 I765 P767 | S658-Y760 PolarHBondContact OG-O 3.44Å; M662-Y760 WeakPolarHBondContact CE-O 3.23Å; R692-Y760 VanDerWaalsContact NH1-CB 3.32Å; H735-Y760 WeakPolarHBondContact O-CE2 3.46Å; P758-Y760 HydrophobicContact CB-CD2 4.44Å; P758-Y760 HydrophobicContact CB-CE2 3.66Å; P758-Y760 HydrophobicContact CG-CE2 3.85Å; Y760-I765 VanDerWaalsContact CE1-O 3.26Å; Y760-I765 WeakPolarHBondContact CE1-O 3.01Å; Y760-P767 HydrophobicContact CD1-CB 4.32Å; Y760-P767 HydrophobicContact CD1-CG 4.16Å; Y760-P767 HydrophobicContact CE1-CB 4.16Å; Y760-P767 HydrophobicContact CE1-CG 3.53Å; Y760-P767 HydrophobicContact CE2-CG 4.39Å | ||
| 761 | D | 72.7 | Confident | 74.6 | Confident | 27 Ų | 27 | 38 Ų | 38 | 14% | 0.144 | 19% | 0.19 | C | C | . | . | trans | -93 | 166 | 167.1 | -136.6 | -19.7 | 0 | 0 | 0 | 113.8 | S657 S658 R692 D763 D764 K768 | S657-D761 PolarHBondContact OG-OD2 3.39Å; S658-D761 VanDerWaalsContact OG-CA 3.25Å; S658-D761 WeakPolarHBondContact OG-CA 3.44Å; S658-D761 PolarHBondContact OG-OD1 3.42Å; R692-D761 PolarHBondContact NH1-O 2.92Å; D761-D763 PolarHBondContact O-N 2.79Å; D761-D763 VanDerWaalsContact O-N 3.14Å; D761-D764 PolarHBondContact O-N 2.83Å; D761-K768 HydrophobicContact CB-CD 3.72Å; D761-K768 HydrophobicContact CB-CG 4.2Å; D761-K768 WeakPolarHBondContact OD2-CE 3.27Å; D761-K768 IonicContact OD2-NZ 3.26Å; D761-K768 PolarHBondContact OD2-NZ 2.95Å | ||
| 762 | M | 59.2 | Low | 74.9 | Confident | 95 Ų | 95 | 39 Ų | 39 | 47% | 0.468 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -35.5 | -172.3 | -78.1 | -66.2 | -87 | 0 | 0 | 113.6 | N690 | N690-M762 HydrophobicContact CB-SD 3.92Å; N690-M762 WeakPolarHBondContact ND2-CG 3.39Å; N690-M762 PolarHBondContact ND2-SD 3.43Å; N690-M762 PolarHBondContact OD1-SD 3.47Å |
| 763 | D | 58.9 | Low | 75.2 | Confident | 112 Ų | 112 | 35.1 Ų | 35.1 | 60% | 0.599 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 1.3 | -172.3 | -58.3 | -49.2 | 0 | 0 | 0 | 114 | D761 N832 | D761-D763 PolarHBondContact O-N 2.79Å; D761-D763 VanDerWaalsContact O-N 3.14Å; D763-N832 PolarHBondContact OD1-ND2 3.23Å |
| 764 | D | 60.9 | Low | 75.2 | Confident | 22 Ų | 22 | 38.2 Ų | 38.2 | 12% | 0.118 | 20% | 0.199 | C | C | . | . | trans | -107.6 | 131.8 | -175.7 | -77 | -45.6 | 0 | 0 | 0 | 112.1 | R692 D761 K768 S797 | R692-D764 PolarHBondContact NH1-O 2.96Å; D761-D764 PolarHBondContact O-N 2.83Å; D764-K768 WeakPolarHBondContact OD2-CE 3.33Å; D764-K768 IonicContact OD2-NZ 3.21Å; D764-S797 PolarHBondContact OD1-OG 2.81Å | ||
| 765 | I | 57.1 | Low | 75.6 | Confident | 91 Ų | 91 | 35 Ų | 35 | 47% | 0.467 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -85.1 | -22.3 | 173.6 | -53 | -147.5 | 0 | 0 | 0 | 111.5 | Y760 M825 | Y760-I765 VanDerWaalsContact CE1-O 3.26Å; Y760-I765 WeakPolarHBondContact CE1-O 3.01Å; I765-M825 HydrophobicContact CB-CG 4.39Å; I765-M825 HydrophobicContact CB-SD 3.79Å; I765-M825 HydrophobicContact CD1-CE 4.38Å; I765-M825 HydrophobicContact CD1-CG 3.23Å; I765-M825 HydrophobicContact CD1-SD 3.65Å; I765-M825 HydrophobicContact CG1-CG 3.8Å; I765-M825 HydrophobicContact CG1-SD 3.9Å; I765-M825 HydrophobicContact CG2-CE 4.49Å; I765-M825 HydrophobicContact CG2-SD 3.91Å |
| 766 | V | 60 | Low | 75.6 | Confident | 46 Ų | 46 | 37.2 Ų | 37.2 | 28% | 0.279 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -89.3 | 132.4 | 173.9 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | K768 L796 I800 | V766-K768 PolarHBondContact O-N 3.46Å; V766-L796 HydrophobicContact CG1-CB 4.14Å; V766-I800 HydrophobicContact CG2-CD1 3.69Å |
| 767 | P | 70.5 | Confident | 75.5 | Confident | 32 Ų | 32 | 35 Ų | 35 | 21% | 0.208 | 18% | 0.184 | C | C | . | . | trans | -56.7 | 131.5 | 174.1 | -16.9 | 25.8 | 0 | 0 | 0 | 110.7 | P758 M759 Y760 | P758-P767 HydrophobicContact CB-CB 4.04Å; P758-P767 HydrophobicContact CB-CG 3.86Å; M759-P767 CarbonylContact O-C 3.52Å; M759-P767 WeakPolarHBondContact O-CA 3.5Å; Y760-P767 HydrophobicContact CD1-CB 4.32Å; Y760-P767 HydrophobicContact CD1-CG 4.16Å; Y760-P767 HydrophobicContact CE1-CB 4.16Å; Y760-P767 HydrophobicContact CE1-CG 3.53Å; Y760-P767 HydrophobicContact CE2-CG 4.39Å | ||
| 768 | K | 78.4 | Confident | 74.8 | Confident | 44 Ų | 44 | 36.9 Ų | 36.9 | 19% | 0.191 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -68.5 | -30.1 | 171.2 | -75.4 | -162.1 | 175.5 | 176.8 | 0 | 111.7 | A659 M759 D761 D764 V766 G792 T793 | A659-K768 HydrophobicContact CB-CB 4.27Å; M759-K768 PolarHBondContact O-N 3.1Å; D761-K768 HydrophobicContact CB-CD 3.72Å; D761-K768 HydrophobicContact CB-CG 4.2Å; D761-K768 WeakPolarHBondContact OD2-CE 3.27Å; D761-K768 IonicContact OD2-NZ 3.26Å; D761-K768 PolarHBondContact OD2-NZ 2.95Å; D764-K768 WeakPolarHBondContact OD2-CE 3.33Å; D764-K768 IonicContact OD2-NZ 3.21Å; V766-K768 PolarHBondContact O-N 3.46Å; K768-G792 CarbonylContact O-C 3.56Å; K768-G792 VanDerWaalsContact O-CA 3.22Å; K768-G792 WeakPolarHBondContact O-CA 3.43Å; K768-T793 PolarHBondContact O-N 3.33Å |
| 769 | F | 85.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 142.3 | 175.9 | -173.7 | -108.7 | 0 | 0 | 0 | 110 | L626 L630 M759 R771 E790 I791 W854 | L626-F769 HydrophobicContact CD2-CB 3.91Å; L626-F769 HydrophobicContact CD2-CD2 4.08Å; L626-F769 HydrophobicContact CD2-CG 3.95Å; L630-F769 HydrophobicContact CD1-CE1 4.1Å; L630-F769 HydrophobicContact CD1-CE2 4.22Å; L630-F769 HydrophobicContact CD1-CZ 3.65Å; M759-F769 HydrophobicContact CB-CB 4.35Å; M759-F769 HydrophobicContact CE-CD1 4.33Å; M759-F769 PolarHBondContact N-O 3.06Å; M759-F769 PolarHBondContact O-N 3.02Å; M759-F769 HydrophobicContact SD-CD1 3.81Å; F769-R771 HydrophobicContact CE1-CB 4.14Å; F769-E790 HydrophobicContact CE2-CB 3.93Å; F769-E790 HydrophobicContact CE2-CG 4.31Å; F769-E790 HydrophobicContact CZ-CB 3.85Å; F769-E790 HydrophobicContact CZ-CG 3.7Å; F769-I791 CarbonylContact C-O 3.58Å; F769-I791 WeakPolarHBondContact CA-O 3.24Å; F769-W854 HydrophobicContact CD2-CZ2 4.42Å |
| 770 | M | 82.4 | Confident | 73.2 | Confident | 62 Ų | 62 | 39.1 Ų | 39.1 | 31% | 0.305 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 134.2 | 176 | -178.1 | 177.6 | 65.5 | 0 | 0 | 108.8 | I756 M757 E790 I791 | I756-M770 HydrophobicContact CG2-CG 4.39Å; I756-M770 HydrophobicContact CG2-SD 4.24Å; M757-M770 WeakPolarHBondContact O-CA 3.49Å; M770-E790 CarbonylContact O-C 3.46Å; M770-E790 WeakPolarHBondContact O-CA 3.35Å; M770-I791 HydrophobicContact CE-CD1 3.87Å; M770-I791 PolarHBondContact N-O 3.42Å; M770-I791 PolarHBondContact O-N 3.43Å |
| 771 | R | 86.2 | Confident | 73 | Confident | 12 Ų | 12 | 38.8 Ų | 38.8 | 5% | 0.045 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.4 | 175.1 | -171.5 | 177 | 157.6 | -170.6 | -10.1 | 110.2 | F755 I756 M757 F769 N785 L789 E790 | F755-R771 HydrophobicContact CE2-CG 3.83Å; I756-R771 CarbonylContact C-O 3.56Å; I756-R771 WeakPolarHBondContact CA-O 3.3Å; M757-R771 PolarHBondContact N-O 3.32Å; M757-R771 PolarHBondContact O-N 3.09Å; M757-R771 VanDerWaalsContact O-N 3.09Å; F769-R771 HydrophobicContact CE1-CB 4.14Å; R771-N785 PolarHBondContact NH2-ND2 3.17Å; R771-N785 PolarHBondContact NH2-OD1 2.87Å; R771-L789 WeakPolarHBondContact CA-O 3.39Å; R771-E790 HydrophobicContact CB-CG 4.19Å; R771-E790 WeakPolarHBondContact CD-OE1 3.5Å; R771-E790 HydrophobicContact CG-CG 3.69Å; R771-E790 IonicContact NE-OE1 2.69Å |
| 772 | A | 77 | Confident | 73.3 | Confident | 23 Ų | 23 | 38 Ų | 38 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | F755 I756 A788 L789 | F755-A772 CarbonylContact O-C 3.46Å; F755-A772 WeakPolarHBondContact O-CA 3.43Å; I756-A772 HydrophobicContact CG1-CB 3.99Å; A772-A788 CarbonylContact O-C 3.58Å; A772-A788 WeakPolarHBondContact O-CA 3.04Å; A772-A788 WeakPolarHBondContact O-CB 3.24Å; A772-L789 PolarHBondContact N-O 3.19Å; A772-L789 PolarHBondContact O-N 3.18Å |
| 773 | G | 84.6 | Confident | 74.3 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 4% | 0.041 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F754 F755 F787 | F754-G773 WeakPolarHBondContact CA-O 3.33Å; F755-G773 VanDerWaalsContact CD1-O 3.26Å; F755-G773 WeakPolarHBondContact CD1-O 3.29Å; F755-G773 VanDerWaalsContact CE1-C 3.42Å; F755-G773 WeakPolarHBondContact CE1-O 3.28Å; F755-G773 PolarHBondContact N-O 3.26Å; F755-G773 PolarHBondContact O-N 2.03Å; G773-F787 CarbonylContact C-O 3.34Å; G773-F787 WeakPolarHBondContact CA-O 3.14Å |
| 774 | I | 80.7 | Confident | 75.5 | Confident | 65 Ų | 65 | 30.6 Ų | 30.6 | 33% | 0.333 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124.6 | 179 | -59.7 | 169.9 | 0 | 0 | 0 | 108.8 | F752 D753 F754 N785 L786 F787 | F752-I774 HydrophobicContact CB-CG2 4.23Å; D753-I774 CarbonylContact O-C 3.53Å; D753-I774 WeakPolarHBondContact O-CA 3.42Å; F754-I774 HydrophobicContact CD2-CG1 4.02Å; I774-N785 CarbonylContact O-C 3.6Å; I774-L786 PolarHBondContact O-N 3.11Å; I774-F787 PolarHBondContact N-O 3.05Å |
| 775 | N | 84.2 | Confident | 76.6 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.032 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 151.2 | 160.4 | -48.3 | -56.3 | 0 | 0 | 0 | 109.7 | F752 D753 R782 N783 R784 N785 | F752-N775 CarbonylContact C-O 3.44Å; F752-N775 WeakPolarHBondContact CA-O 3.47Å; F752-N775 VanDerWaalsContact CB-O 3.3Å; F752-N775 WeakPolarHBondContact CB-O 3.5Å; D753-N775 PolarHBondContact N-O 2.99Å; D753-N775 PolarHBondContact O-N 2.82Å; D753-N775 WeakPolarHBondContact OD1-CA 3.36Å; D753-N775 WeakPolarHBondContact OD1-CB 3.38Å; D753-N775 PolarHBondContact OD1-N 2.97Å; D753-N775 PolarHBondContact OD1-ND2 2.7Å; D753-N775 PolarHBondContact OD2-ND2 3Å; N775-R782 PolarHBondContact ND2-NH2 3.26Å; N775-N783 WeakPolarHBondContact CA-O 3.42Å; N775-R784 WeakPolarHBondContact OD1-CA 3.21Å; N775-N785 PolarHBondContact OD1-N 3.31Å |
| 776 | M | 81.9 | Confident | 77.7 | Confident | 48 Ų | 48 | 27.8 Ų | 27.8 | 24% | 0.236 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 139.9 | 176.8 | -167.4 | 177.6 | 92.8 | 0 | 0 | 109.8 | E778 R782 N783 L786 | M776-E778 HydrophobicContact CE-CB 4.22Å; M776-R782 CarbonylContact O-C 3.48Å; M776-R782 WeakPolarHBondContact O-CA 3Å; M776-N783 HydrophobicContact CB-CB 4.45Å; M776-N783 PolarHBondContact N-O 2.85Å; M776-N783 PolarHBondContact O-N 2.86Å; M776-L786 HydrophobicContact CB-CD2 4.12Å; M776-L786 HydrophobicContact SD-CD2 3.97Å |
| 777 | V | 77.8 | Confident | 78.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 131.6 | 169.7 | 173.4 | 0 | 0 | 0 | 0 | 108.2 | Q709 C711 Y744 T750 G751 E781 R782 | Q709-V777 HydrophobicContact CG-CB 4.5Å; Q709-V777 HydrophobicContact CG-CG2 4.11Å; C711-V777 VanDerWaalsContact SG-CG2 3.54Å; Y744-V777 HydrophobicContact CE2-CG1 4.07Å; T750-V777 CarbonylContact C-O 3.52Å; T750-V777 WeakPolarHBondContact CA-O 3.08Å; T750-V777 PolarHBondContact OG1-O 3.01Å; T750-V777 VanDerWaalsContact OG1-O 3.1Å; G751-V777 PolarHBondContact N-O 3.45Å; G751-V777 PolarHBondContact O-N 3.29Å; V777-E781 CarbonylContact C-O 3.56Å; V777-E781 VanDerWaalsContact CA-O 3.3Å; V777-E781 WeakPolarHBondContact CA-O 3.46Å; V777-R782 HydrophobicContact CG2-CB 3.93Å; V777-R782 HydrophobicContact CG2-CG 3.8Å |
| 778 | E | 70.1 | Confident | 79.3 | Confident | 45 Ų | 45 | 28.8 Ų | 28.8 | 21% | 0.21 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 121.8 | 179 | 179.2 | -178.5 | -161.7 | 0 | 0 | 107.8 | M776 G780 E781 R911 | M776-E778 HydrophobicContact CE-CB 4.22Å; E778-G780 VanDerWaalsContact C-N 3.3Å; E778-G780 PolarHBondContact O-N 3.43Å; E778-E781 PolarHBondContact N-O 3.05Å; E778-E781 WeakPolarHBondContact O-CA 3.47Å; E778-E781 VanDerWaalsContact O-CB 3.29Å; E778-E781 WeakPolarHBondContact O-CB 3.43Å; E778-E781 PolarHBondContact O-N 3.25Å; E778-R911 IonicContact OE2-NH1 3.68Å |
| 779 | R | 66.5 | Low | 79.2 | Confident | 56 Ų | 56 | 29.2 Ų | 29.2 | 21% | 0.211 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 39.6 | 173.2 | -54.5 | 173 | -165.1 | -159.5 | 5.8 | 114.5 | S272 A304 Q305 K749 E781 | S272-R779 PolarHBondContact OG-NH1 3.02Å; A304-R779 PolarHBondContact O-NH1 3.18Å; Q305-R779 PolarHBondContact O-NE 3.27Å; Q305-R779 PolarHBondContact O-NH2 3.09Å; K749-R779 PolarHBondContact O-N 3.42Å; R779-E781 PolarHBondContact O-N 3.17Å |
| 780 | G | 66 | Low | 79.2 | Confident | 2 Ų | 2 | 29.3 Ų | 29.3 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 7.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | C259 E778 | C259-G780 WeakPolarHBondContact CB-O 3.38Å; C259-G780 PolarHBondContact N-O 2.68Å; E778-G780 VanDerWaalsContact C-N 3.3Å; E778-G780 PolarHBondContact O-N 3.43Å |
| 781 | E | 72.9 | Confident | 78.9 | Confident | 22 Ų | 22 | 29.5 Ų | 29.5 | 10% | 0.103 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 129.7 | 171 | -69.8 | -169.6 | 155.8 | 0 | 0 | 109.8 | I256 R540 V777 E778 R779 R911 | I256-E781 HydrophobicContact CG2-CB 3.43Å; I256-E781 VanDerWaalsContact CG2-CB 3.43Å; I256-E781 HydrophobicContact CG2-CG 3.7Å; R540-E781 IonicContact CZ-OE1 3.07Å; R540-E781 IonicContact NH1-OE1 3.83Å; R540-E781 PolarHBondContact NH1-OE1 3.11Å; R540-E781 IonicContact NH2-OE1 2.9Å; R540-E781 PolarHBondContact NH2-OE1 3.43Å; V777-E781 CarbonylContact C-O 3.56Å; V777-E781 VanDerWaalsContact CA-O 3.3Å; V777-E781 WeakPolarHBondContact CA-O 3.46Å; E778-E781 PolarHBondContact N-O 3.05Å; E778-E781 WeakPolarHBondContact O-CA 3.47Å; E778-E781 VanDerWaalsContact O-CB 3.29Å; E778-E781 WeakPolarHBondContact O-CB 3.43Å; E778-E781 PolarHBondContact O-N 3.25Å; R779-E781 PolarHBondContact O-N 3.17Å; E781-R911 IonicContact OE2-NH2 2.79Å |
| 782 | R | 79 | Confident | 78.6 | Confident | 11 Ų | 11 | 29 Ų | 29 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119 | 178.3 | -177.4 | 178.1 | 175.7 | 174 | 2.7 | 110.2 | S257 Y712 D753 N775 M776 V777 R784 | S257-R782 PolarHBondContact N-O 2.94Å; S257-R782 VanDerWaalsContact N-O 3.11Å; S257-R782 PolarHBondContact O-N 3.08Å; S257-R782 PolarHBondContact OG-O 3.44Å; Y712-R782 PolarHBondContact OH-NH2 3.05Å; D753-R782 IonicContact OD2-NH2 3.28Å; N775-R782 PolarHBondContact ND2-NH2 3.26Å; M776-R782 CarbonylContact O-C 3.48Å; M776-R782 WeakPolarHBondContact O-CA 3Å; V777-R782 HydrophobicContact CG2-CB 3.93Å; V777-R782 HydrophobicContact CG2-CG 3.8Å; R782-R784 HydrophobicContact CG-CG 4.12Å |
| 783 | N | 79.8 | Confident | 78.6 | Confident | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.032 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 102.1 | 165.3 | -74.1 | -80.8 | 0 | 0 | 0 | 108.6 | N775 M776 | N775-N783 WeakPolarHBondContact CA-O 3.42Å; M776-N783 HydrophobicContact CB-CB 4.45Å; M776-N783 PolarHBondContact N-O 2.85Å; M776-N783 PolarHBondContact O-N 2.86Å |
| 784 | R | 83.2 | Confident | 78 | Confident | 46 Ų | 46 | 30.3 Ų | 30.3 | 17% | 0.174 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 139.4 | 172.4 | -70.9 | 178.4 | 171.4 | 171.3 | -7.4 | 109.6 | Q670 N775 R782 L786 R860 N861 | Q670-R784 PolarHBondContact O-NH1 2.92Å; Q670-R784 PolarHBondContact O-NH2 2.96Å; N775-R784 WeakPolarHBondContact OD1-CA 3.21Å; R782-R784 HydrophobicContact CG-CG 4.12Å; R784-L786 VanDerWaalsContact C-N 3.29Å; R784-L786 PolarHBondContact O-N 3.43Å; R784-R860 CarbonylContact O-C 3.47Å; R784-N861 HydrophobicContact CB-CB 4.47Å; R784-N861 PolarHBondContact O-N 2.82Å; R784-N861 VanDerWaalsContact O-N 3.14Å |
| 785 | N | 84.6 | Confident | 77.3 | Confident | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.011 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 45.3 | 56.4 | -175.8 | -59.1 | -42 | 0 | 0 | 0 | 110.5 | F755 R771 I774 N775 F787 A788 K858 R860 N861 | F755-N785 WeakPolarHBondContact CZ-OD1 3.37Å; R771-N785 PolarHBondContact NH2-ND2 3.17Å; R771-N785 PolarHBondContact NH2-OD1 2.87Å; I774-N785 CarbonylContact O-C 3.6Å; N775-N785 PolarHBondContact OD1-N 3.31Å; N785-F787 PolarHBondContact O-N 2.69Å; N785-A788 HydrophobicContact CB-CB 3.95Å; N785-K858 HydrophobicContact CB-CB 4.47Å; N785-R860 WeakPolarHBondContact O-CA 3.48Å; N785-R860 PolarHBondContact O-N 2.84Å; N785-N861 PolarHBondContact ND2-OD1 2.81Å; N785-N861 PolarHBondContact O-N 3.11Å |
| 786 | L | 81 | Confident | 76.2 | Confident | 52 Ų | 52 | 30.7 Ų | 30.7 | 27% | 0.272 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -49.5 | -45.9 | 172.4 | 176 | 63.5 | 0 | 0 | 0 | 108.2 | I774 M776 R784 F859 R860 | I774-L786 PolarHBondContact O-N 3.11Å; M776-L786 HydrophobicContact CB-CD2 4.12Å; M776-L786 HydrophobicContact SD-CD2 3.97Å; R784-L786 VanDerWaalsContact C-N 3.29Å; R784-L786 PolarHBondContact O-N 3.43Å; L786-F859 HydrophobicContact CD1-CE2 4.27Å; L786-F859 WeakPolarHBondContact O-CA 3.2Å; L786-F859 WeakPolarHBondContact O-CD2 3.34Å; L786-R860 HydrophobicContact CD1-CG 4.29Å; L786-R860 PolarHBondContact O-N 2.86Å |
| 787 | F | 77.7 | Confident | 75.1 | Confident | 99 Ų | 99 | 29.4 Ų | 29.4 | 43% | 0.434 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 136.5 | 161.4 | -177.9 | -93.6 | 0 | 0 | 0 | 109.1 | G773 I774 N785 M857 K858 | G773-F787 CarbonylContact C-O 3.34Å; G773-F787 WeakPolarHBondContact CA-O 3.14Å; I774-F787 PolarHBondContact N-O 3.05Å; N785-F787 PolarHBondContact O-N 2.69Å; F787-M857 HydrophobicContact CE2-CE 3.39Å; F787-M857 HydrophobicContact CZ-CE 3.61Å; F787-K858 WeakPolarHBondContact CA-O 3.03Å |
| 788 | A | 84.6 | Confident | 74.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 144.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A772 N785 M857 K858 | A772-A788 CarbonylContact O-C 3.58Å; A772-A788 WeakPolarHBondContact O-CA 3.04Å; A772-A788 WeakPolarHBondContact O-CB 3.24Å; N785-A788 HydrophobicContact CB-CB 3.95Å; A788-M857 CarbonylContact O-C 3.52Å; A788-M857 WeakPolarHBondContact O-CA 3.07Å; A788-K858 HydrophobicContact CB-CB 4.29Å; A788-K858 PolarHBondContact N-O 2.71Å; A788-K858 PolarHBondContact O-N 3.13Å |
| 789 | L | 77.2 | Confident | 73.4 | Confident | 53 Ų | 53 | 31.2 Ų | 31.2 | 28% | 0.277 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.9 | 171.7 | -176.9 | 69.4 | 0 | 0 | 0 | 108.7 | R771 A772 I791 M855 S856 M857 | R771-L789 WeakPolarHBondContact CA-O 3.39Å; A772-L789 PolarHBondContact N-O 3.19Å; A772-L789 PolarHBondContact O-N 3.18Å; L789-I791 HydrophobicContact CD2-CD1 4.18Å; L789-I791 HydrophobicContact CG-CG1 4.32Å; L789-M855 HydrophobicContact CD1-CG 3.62Å; L789-M855 HydrophobicContact CD1-SD 3.84Å; L789-S856 CarbonylContact C-O 3.57Å; L789-S856 WeakPolarHBondContact CA-O 3.4Å; L789-M857 HydrophobicContact CD1-CG 3.74Å |
| 790 | E | 84.9 | Confident | 72.9 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.4 | 177.2 | -73.1 | 175.9 | 172.3 | 0 | 0 | 108.9 | R595 F769 M770 R771 M855 S856 K858 | R595-E790 IonicContact NH1-OE2 2.62Å; R595-E790 PolarHBondContact NH1-OE2 3.05Å; R595-E790 IonicContact NH2-OE2 3.02Å; F769-E790 HydrophobicContact CE2-CB 3.93Å; F769-E790 HydrophobicContact CE2-CG 4.31Å; F769-E790 HydrophobicContact CZ-CB 3.85Å; F769-E790 HydrophobicContact CZ-CG 3.7Å; M770-E790 CarbonylContact O-C 3.46Å; M770-E790 WeakPolarHBondContact O-CA 3.35Å; R771-E790 HydrophobicContact CB-CG 4.19Å; R771-E790 WeakPolarHBondContact CD-OE1 3.5Å; R771-E790 HydrophobicContact CG-CG 3.69Å; R771-E790 IonicContact NE-OE1 2.69Å; E790-M855 CarbonylContact O-C 3.57Å; E790-M855 WeakPolarHBondContact O-CA 3.13Å; E790-S856 PolarHBondContact N-O 2.91Å; E790-S856 PolarHBondContact O-N 2.85Å; E790-K858 WeakPolarHBondContact OE1-CE 3.03Å; E790-K858 IonicContact OE1-NZ 2.98Å; E790-K858 WeakPolarHBondContact OE2-CE 3.41Å; E790-K858 IonicContact OE2-NZ 3.17Å |
| 791 | I | 77.4 | Confident | 72.5 | Confident | 67 Ų | 67 | 32.8 Ų | 32.8 | 34% | 0.344 | 17% | 0.174 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.3 | 177 | -56 | 175 | 0 | 0 | 0 | 107.7 | F769 M770 L789 W854 M855 | F769-I791 CarbonylContact C-O 3.58Å; F769-I791 WeakPolarHBondContact CA-O 3.24Å; M770-I791 HydrophobicContact CE-CD1 3.87Å; M770-I791 PolarHBondContact N-O 3.42Å; M770-I791 PolarHBondContact O-N 3.43Å; L789-I791 HydrophobicContact CD2-CD1 4.18Å; L789-I791 HydrophobicContact CG-CG1 4.32Å; I791-W854 CarbonylContact C-O 3.52Å; I791-W854 WeakPolarHBondContact CA-O 3.3Å; I791-M855 HydrophobicContact CG1-CG 4.05Å |
| 792 | G | 79.2 | Confident | 71.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 158.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K768 A853 W854 | K768-G792 CarbonylContact O-C 3.56Å; K768-G792 VanDerWaalsContact O-CA 3.22Å; K768-G792 WeakPolarHBondContact O-CA 3.43Å; G792-A853 CarbonylContact O-C 3.53Å; G792-A853 VanDerWaalsContact O-CA 3.25Å; G792-A853 WeakPolarHBondContact O-CA 3.26Å; G792-W854 VanDerWaalsContact C-CE3 3.47Å; G792-W854 VanDerWaalsContact C-CZ3 3.49Å; G792-W854 PolarHBondContact N-O 2.72Å; G792-W854 PolarHBondContact O-N 3.12Å |
| 793 | T | 77 | Confident | 70.5 | Confident | 10 Ų | 10 | 38.5 Ų | 38.5 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 145.7 | 177.7 | 175.4 | 0 | 0 | 0 | 0 | 111.9 | K768 S795 L796 K852 | K768-T793 PolarHBondContact O-N 3.33Å; T793-S795 PolarHBondContact OG1-N 3.1Å; T793-L796 HydrophobicContact CG2-CB 4.28Å; T793-L796 HydrophobicContact CG2-CD1 4.06Å; T793-L796 WeakPolarHBondContact OG1-CD1 3.49Å; T793-L796 PolarHBondContact OG1-N 2.61Å; T793-K852 CarbonylContact C-O 3.44Å; T793-K852 VanDerWaalsContact CA-O 3.26Å; T793-K852 WeakPolarHBondContact CA-O 3.46Å |
| 794 | S | 71.6 | Confident | 69.3 | Low | 44 Ų | 44 | 38.8 Ų | 38.8 | 31% | 0.308 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -79.1 | -36.8 | 173.8 | 62.6 | 0 | 0 | 0 | 0 | 113 | K852 | S794-K852 PolarHBondContact N-O 2.83Å; S794-K852 PolarHBondContact OG-N 3.46Å; S794-K852 PolarHBondContact OG-O 2.69Å |
| 795 | S | 65.7 | Low | 67.9 | Low | 23 Ų | 23 | 39.4 Ų | 39.4 | 16% | 0.161 | 21% | 0.214 | C | C | . | . | trans | -173 | 97.1 | 171.6 | 172.3 | 0 | 0 | 0 | 0 | 109.6 | T793 S797 N798 T851 | T793-S795 PolarHBondContact OG1-N 3.1Å; S795-S797 VanDerWaalsContact C-N 3.26Å; S795-S797 PolarHBondContact OG-OG 2.76Å; S795-N798 PolarHBondContact OG-ND2 3.27Å; S795-T851 WeakPolarHBondContact O-CG2 3.2Å; S795-T851 PolarHBondContact O-OG1 2.81Å | ||
| 796 | L | 62.7 | Low | 66.3 | Low | 57 Ų | 57 | 42.2 Ų | 42.2 | 30% | 0.298 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -77.2 | -18.2 | 170.3 | -127.6 | 104.5 | 0 | 0 | 0 | 111.7 | V766 T793 N798 I799 I800 | V766-L796 HydrophobicContact CG1-CB 4.14Å; T793-L796 HydrophobicContact CG2-CB 4.28Å; T793-L796 HydrophobicContact CG2-CD1 4.06Å; T793-L796 WeakPolarHBondContact OG1-CD1 3.49Å; T793-L796 PolarHBondContact OG1-N 2.61Å; L796-N798 VanDerWaalsContact C-N 3.28Å; L796-N798 PolarHBondContact O-N 2.81Å; L796-I799 PolarHBondContact O-N 3.14Å; L796-I800 HydrophobicContact CB-CD1 4.44Å; L796-I800 HydrophobicContact CD2-CD1 3.96Å; L796-I800 HydrophobicContact CD2-CG1 4.23Å; L796-I800 WeakPolarHBondContact O-CG1 3.37Å; L796-I800 PolarHBondContact O-N 2.97Å |
| 797 | S | 57.5 | Low | 64.8 | Low | 20 Ų | 20 | 43 Ų | 43 | 14% | 0.14 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58 | -38.7 | 179.4 | 31.3 | 0 | 0 | 0 | 0 | 112 | D764 S795 S801 | D764-S797 PolarHBondContact OD1-OG 2.81Å; S795-S797 VanDerWaalsContact C-N 3.26Å; S795-S797 PolarHBondContact OG-OG 2.76Å; S797-S801 WeakPolarHBondContact O-CB 3.2Å; S797-S801 PolarHBondContact O-N 2.89Å; S797-S801 PolarHBondContact O-OG 2.89Å |
| 798 | N | 56.7 | Low | 63.4 | Low | 71 Ų | 71 | 41.9 Ų | 41.9 | 38% | 0.38 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.3 | -46.4 | 175 | -67.8 | -11.4 | 0 | 0 | 0 | 112.5 | S795 L796 S801 E802 | S795-N798 PolarHBondContact OG-ND2 3.27Å; L796-N798 VanDerWaalsContact C-N 3.28Å; L796-N798 PolarHBondContact O-N 2.81Å; N798-S801 WeakPolarHBondContact CA-OG 3.49Å; N798-S801 PolarHBondContact O-N 2.94Å; N798-S801 PolarHBondContact O-OG 2.94Å; N798-E802 VanDerWaalsContact O-CB 3.31Å; N798-E802 WeakPolarHBondContact O-CB 3.46Å; N798-E802 PolarHBondContact O-N 2.7Å |
| 799 | I | 56.8 | Low | 61.8 | Low | 12 Ų | 12 | 49.3 Ų | 49.3 | 6% | 0.062 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.5 | -42.9 | 177.5 | -64.6 | -178.4 | 0 | 0 | 0 | 110.8 | L796 S801 E802 L803 T851 E871 L874 | L796-I799 PolarHBondContact O-N 3.14Å; I799-S801 VanDerWaalsContact C-N 3.33Å; I799-S801 PolarHBondContact O-N 3.24Å; I799-E802 PolarHBondContact O-N 2.82Å; I799-L803 HydrophobicContact CG2-CD1 3.56Å; I799-L803 HydrophobicContact CG2-CG 4.15Å; I799-L803 WeakPolarHBondContact O-CB 3.18Å; I799-L803 VanDerWaalsContact O-CG 3.23Å; I799-L803 WeakPolarHBondContact O-CG 3.34Å; I799-L803 PolarHBondContact O-N 2.76Å; I799-T851 HydrophobicContact CD1-CG2 3.39Å; I799-T851 HydrophobicContact CG1-CG2 3.92Å; I799-E871 HydrophobicContact CD1-CG 4.38Å; I799-L874 HydrophobicContact CD1-CB 3.87Å; I799-L874 HydrophobicContact CD1-CD1 3.58Å; I799-L874 HydrophobicContact CD1-CG 4.35Å |
| 800 | I | 55.8 | Low | 60.3 | Low | 50 Ų | 50 | 52.4 Ų | 52.4 | 26% | 0.256 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 177.9 | -68 | 169 | 0 | 0 | 0 | 110.8 | V766 L796 L804 L822 | V766-I800 HydrophobicContact CG2-CD1 3.69Å; L796-I800 HydrophobicContact CB-CD1 4.44Å; L796-I800 HydrophobicContact CD2-CD1 3.96Å; L796-I800 HydrophobicContact CD2-CG1 4.23Å; L796-I800 WeakPolarHBondContact O-CG1 3.37Å; L796-I800 PolarHBondContact O-N 2.97Å; I800-L804 HydrophobicContact CG2-CD1 4.38Å; I800-L804 WeakPolarHBondContact O-CB 3.39Å; I800-L804 WeakPolarHBondContact O-CD1 3.43Å; I800-L804 WeakPolarHBondContact O-CG 3.37Å; I800-L804 PolarHBondContact O-N 2.78Å; I800-L804 VanDerWaalsContact O-N 3.08Å; I800-L822 HydrophobicContact CG2-CD2 3.95Å |
| 801 | S | 56.6 | Low | 58.3 | Low | 41 Ų | 41 | 57.4 Ų | 57.4 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -72.2 | -27.3 | 178.1 | 52.6 | 0 | 0 | 0 | 0 | 114 | S797 N798 I799 L804 P805 | S797-S801 WeakPolarHBondContact O-CB 3.2Å; S797-S801 PolarHBondContact O-N 2.89Å; S797-S801 PolarHBondContact O-OG 2.89Å; N798-S801 WeakPolarHBondContact CA-OG 3.49Å; N798-S801 PolarHBondContact O-N 2.94Å; N798-S801 PolarHBondContact O-OG 2.94Å; I799-S801 VanDerWaalsContact C-N 3.33Å; I799-S801 PolarHBondContact O-N 3.24Å; S801-L804 WeakPolarHBondContact O-CB 3.29Å; S801-P805 WeakPolarHBondContact O-CD 3.36Å |
| 802 | E | 55.9 | Low | 56.6 | Low | 110 Ų | 110 | 66.2 Ų | 66.2 | 51% | 0.514 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -83.5 | -28.8 | 175.9 | -155 | 177.7 | -151.7 | 0 | 0 | 112.6 | N798 I799 L804 P805 K875 | N798-E802 VanDerWaalsContact O-CB 3.31Å; N798-E802 WeakPolarHBondContact O-CB 3.46Å; N798-E802 PolarHBondContact O-N 2.7Å; I799-E802 PolarHBondContact O-N 2.82Å; E802-L804 VanDerWaalsContact C-N 3.34Å; E802-P805 WeakPolarHBondContact O-CD 3.49Å; E802-K875 IonicContact OE1-NZ 3.87Å; E802-K875 WeakPolarHBondContact OE2-CE 3.15Å; E802-K875 IonicContact OE2-NZ 2.68Å; E802-K875 PolarHBondContact OE2-NZ 3.22Å |
| 803 | L | 54.1 | Low | 54.8 | Low | 43 Ų | 43 | 68.1 Ų | 68.1 | 23% | 0.225 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -78.1 | -19 | 170.5 | -69.5 | 169.8 | 0 | 0 | 0 | 112.7 | I799 D806 I807 T878 | I799-L803 HydrophobicContact CG2-CD1 3.56Å; I799-L803 HydrophobicContact CG2-CG 4.15Å; I799-L803 WeakPolarHBondContact O-CB 3.18Å; I799-L803 VanDerWaalsContact O-CG 3.23Å; I799-L803 WeakPolarHBondContact O-CG 3.34Å; I799-L803 PolarHBondContact O-N 2.76Å; L803-D806 PolarHBondContact O-N 2.98Å; L803-I807 HydrophobicContact CB-CD1 4.1Å; L803-I807 WeakPolarHBondContact O-CB 3.29Å; L803-I807 WeakPolarHBondContact O-CD1 3.29Å; L803-I807 WeakPolarHBondContact O-CG1 3.45Å; L803-I807 PolarHBondContact O-N 2.94Å; L803-T878 HydrophobicContact CD1-CG2 3.95Å |
| 804 | L | 54.1 | Low | 53.1 | Low | 13 Ų | 13 | 68.7 Ų | 68.7 | 7% | 0.068 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -58.4 | -45.4 | -177 | -110.2 | 155.6 | 0 | 0 | 0 | 113.6 | I800 S801 E802 D806 I807 E808 L822 A826 | I800-L804 HydrophobicContact CG2-CD1 4.38Å; I800-L804 WeakPolarHBondContact O-CB 3.39Å; I800-L804 WeakPolarHBondContact O-CD1 3.43Å; I800-L804 WeakPolarHBondContact O-CG 3.37Å; I800-L804 PolarHBondContact O-N 2.78Å; I800-L804 VanDerWaalsContact O-N 3.08Å; S801-L804 WeakPolarHBondContact O-CB 3.29Å; E802-L804 VanDerWaalsContact C-N 3.34Å; L804-D806 VanDerWaalsContact C-N 3.35Å; L804-D806 PolarHBondContact O-N 2.93Å; L804-I807 CarbonylContact O-C 3.59Å; L804-I807 PolarHBondContact O-N 3.03Å; L804-E808 HydrophobicContact CD2-CG 4.47Å; L804-E808 WeakPolarHBondContact O-CB 3.42Å; L804-E808 VanDerWaalsContact O-CG 3.27Å; L804-E808 WeakPolarHBondContact O-CG 3.45Å; L804-E808 PolarHBondContact O-N 2.72Å; L804-L822 HydrophobicContact CD1-CB 4.13Å; L804-L822 HydrophobicContact CD2-CB 3.79Å; L804-L822 HydrophobicContact CD2-CD1 4.35Å; L804-L822 HydrophobicContact CG-CB 4.38Å; L804-A826 HydrophobicContact CD1-CB 4.05Å |
| 805 | P | 53.8 | Low | 51.8 | Low | 58 Ų | 58 | 71.3 Ų | 71.3 | 38% | 0.377 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -60.6 | -39.8 | 173.3 | -23 | 32.7 | 0 | 0 | 0 | 113.2 | S801 E802 I807 E808 Q809 | S801-P805 WeakPolarHBondContact O-CD 3.36Å; E802-P805 WeakPolarHBondContact O-CD 3.49Å; P805-I807 VanDerWaalsContact C-N 3.33Å; P805-E808 PolarHBondContact O-N 2.65Å; P805-Q809 WeakPolarHBondContact O-CB 3.33Å; P805-Q809 WeakPolarHBondContact O-CG 3.45Å; P805-Q809 PolarHBondContact O-N 2.82Å |
| 806 | D | 51.6 | Low | 50.6 | Low | 62 Ų | 62 | 74.8 Ų | 74.8 | 33% | 0.332 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -67.9 | -34.7 | 176.9 | -78.3 | -2.1 | 0 | 0 | 0 | 111.5 | L803 L804 N810 | L803-D806 PolarHBondContact O-N 2.98Å; L804-D806 VanDerWaalsContact C-N 3.35Å; L804-D806 PolarHBondContact O-N 2.93Å; D806-N810 WeakPolarHBondContact O-CB 3.13Å; D806-N810 PolarHBondContact O-N 2.97Å; D806-N810 PolarHBondContact O-ND2 3.38Å |
| 807 | I | 49.9 | Very low | 49.4 | Very low | 68 Ų | 68 | 76.6 Ų | 76.6 | 35% | 0.349 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.2 | -34.8 | 171.4 | -65.4 | 163 | 0 | 0 | 0 | 110.9 | L803 L804 P805 Q811 | L803-I807 HydrophobicContact CB-CD1 4.1Å; L803-I807 WeakPolarHBondContact O-CB 3.29Å; L803-I807 WeakPolarHBondContact O-CD1 3.29Å; L803-I807 WeakPolarHBondContact O-CG1 3.45Å; L803-I807 PolarHBondContact O-N 2.94Å; L804-I807 CarbonylContact O-C 3.59Å; L804-I807 PolarHBondContact O-N 3.03Å; P805-I807 VanDerWaalsContact C-N 3.33Å; I807-Q811 WeakPolarHBondContact O-CB 3.47Å; I807-Q811 PolarHBondContact O-N 3.37Å |
| 808 | E | 47.6 | Very low | 48.8 | Very low | 76 Ų | 76 | 80.2 Ų | 80.2 | 36% | 0.355 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -75.6 | -38.2 | -179.9 | -79.5 | -174.4 | 159.4 | 0 | 0 | 112.7 | L804 P805 R823 | L804-E808 HydrophobicContact CD2-CG 4.47Å; L804-E808 WeakPolarHBondContact O-CB 3.42Å; L804-E808 VanDerWaalsContact O-CG 3.27Å; L804-E808 WeakPolarHBondContact O-CG 3.45Å; L804-E808 PolarHBondContact O-N 2.72Å; P805-E808 PolarHBondContact O-N 2.65Å; E808-R823 IonicContact OE1-NE 3.57Å; E808-R823 PolarHBondContact OE1-NE 2.04Å |
| 809 | Q | 51 | Low | 48.3 | Very low | 156 Ų | 156 | 79.6 Ų | 79.6 | 73% | 0.729 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -80.3 | -29 | -178.5 | -73.2 | -173.6 | -5.2 | 0 | 0 | 113.2 | P805 | P805-Q809 WeakPolarHBondContact O-CB 3.33Å; P805-Q809 WeakPolarHBondContact O-CG 3.45Å; P805-Q809 PolarHBondContact O-N 2.82Å |
| 810 | N | 45.5 | Very low | 48.1 | Very low | 118 Ų | 118 | 84.1 Ų | 84.1 | 63% | 0.631 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -105.8 | 0.8 | -174.9 | -66.8 | -41.2 | 0 | 0 | 0 | 115.2 | D806 | D806-N810 WeakPolarHBondContact O-CB 3.13Å; D806-N810 PolarHBondContact O-N 2.97Å; D806-N810 PolarHBondContact O-ND2 3.38Å |
| 811 | Q | 44.9 | Very low | 47.7 | Very low | 106 Ų | 106 | 87.1 Ų | 87.1 | 50% | 0.495 | 44% | 0.442 | S | S | . | . | trans | -123.5 | 88.2 | 174.2 | -65.2 | -164.7 | -6.5 | 0 | 0 | 113.1 | I807 G813 K819 | I807-Q811 WeakPolarHBondContact O-CB 3.47Å; I807-Q811 PolarHBondContact O-N 3.37Å; Q811-G813 PolarHBondContact O-N 3Å; Q811-G813 VanDerWaalsContact O-N 3.08Å; Q811-K819 PolarHBondContact O-NZ 3.36Å | ||
| 812 | R | 41.4 | Very low | 47.2 | Very low | 251 Ų | 251 | 86.9 Ų | 86.9 | 95% | 0.947 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 2.3 | 168.8 | -78.5 | -176.1 | 174.8 | -178.6 | -1.4 | 114.3 | ||
| 813 | G | 39.7 | Very low | 47.2 | Very low | 42 Ų | 42 | 88.2 Ų | 88.2 | 43% | 0.433 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | -8.3 | -176 | 0 | 0 | 0 | 0 | 0 | 118.9 | Q811 R1154 | Q811-G813 PolarHBondContact O-N 3Å; Q811-G813 VanDerWaalsContact O-N 3.08Å; G813-R1154 PolarHBondContact O-NH1 3.32Å |
| 814 | G | 41.7 | Very low | 47.4 | Very low | 21 Ų | 21 | 94 Ų | 94 | 22% | 0.216 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -71.4 | 140.4 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | T816 K819 | G814-T816 PolarHBondContact O-N 2.94Å; G814-K819 WeakPolarHBondContact O-CD 3.1Å; G814-K819 VanDerWaalsContact O-CE 3.29Å; G814-K819 WeakPolarHBondContact O-CE 3.2Å |
| 815 | N | 43.9 | Very low | 47.2 | Very low | 99 Ų | 99 | 95.9 Ų | 95.9 | 53% | 0.529 | 47% | 0.466 | S | S | . | . | trans | -39.8 | 112.2 | -178.6 | -152.9 | -7 | 0 | 0 | 0 | 113.3 | E817 I818 K819 | N815-E817 PolarHBondContact O-N 3.21Å; N815-E817 VanDerWaalsContact O-N 3.1Å; N815-I818 HydrophobicContact CB-CB 4.4Å; N815-I818 HydrophobicContact CB-CD1 4.12Å; N815-I818 HydrophobicContact CB-CG1 4.25Å; N815-I818 PolarHBondContact O-N 3.17Å; N815-K819 PolarHBondContact O-N 3.22Å | ||
| 816 | T | 40.7 | Very low | 47.1 | Very low | 96 Ų | 96 | 94.4 Ų | 94.4 | 59% | 0.589 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -57.6 | -27 | -174.7 | 31.2 | 0 | 0 | 0 | 0 | 113.1 | G814 M820 | G814-T816 PolarHBondContact O-N 2.94Å; T816-M820 WeakPolarHBondContact O-CB 3.49Å; T816-M820 WeakPolarHBondContact O-CG 3.48Å; T816-M820 PolarHBondContact O-N 2.81Å |
| 817 | E | 39.1 | Very low | 47.3 | Very low | 96 Ų | 96 | 96.1 Ų | 96.1 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -74 | -39.5 | 176.9 | -159.7 | -171.5 | 152.9 | 0 | 0 | 113.1 | N815 M820 K821 | N815-E817 PolarHBondContact O-N 3.21Å; N815-E817 VanDerWaalsContact O-N 3.1Å; E817-M820 PolarHBondContact O-N 3.44Å; E817-K821 WeakPolarHBondContact O-CB 3.47Å; E817-K821 WeakPolarHBondContact O-CG 3.39Å; E817-K821 PolarHBondContact O-N 3.15Å; E817-K821 IonicContact OE1-NZ 3.22Å; E817-K821 PolarHBondContact OE1-NZ 2.87Å |
| 818 | I | 44 | Very low | 47.4 | Very low | 96 Ų | 96 | 98.3 Ų | 98.3 | 49% | 0.492 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.5 | -41 | 174.3 | -64.1 | 175.5 | 0 | 0 | 0 | 109.3 | N815 K821 L822 | N815-I818 HydrophobicContact CB-CB 4.4Å; N815-I818 HydrophobicContact CB-CD1 4.12Å; N815-I818 HydrophobicContact CB-CG1 4.25Å; N815-I818 PolarHBondContact O-N 3.17Å; I818-K821 PolarHBondContact O-N 3Å; I818-L822 HydrophobicContact CG2-CD1 3.64Å; I818-L822 HydrophobicContact CG2-CG 4.16Å; I818-L822 WeakPolarHBondContact O-CB 3.08Å; I818-L822 VanDerWaalsContact O-CG 3.26Å; I818-L822 WeakPolarHBondContact O-CG 3.41Å; I818-L822 PolarHBondContact O-N 2.04Å |
| 819 | K | 47.3 | Very low | 47.5 | Very low | 58 Ų | 58 | 97.4 Ų | 97.4 | 25% | 0.252 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.3 | -45 | 173.3 | -70.3 | -174.8 | 175.2 | -174.7 | 0 | 111.9 | Q811 G814 N815 R823 | Q811-K819 PolarHBondContact O-NZ 3.36Å; G814-K819 WeakPolarHBondContact O-CD 3.1Å; G814-K819 VanDerWaalsContact O-CE 3.29Å; G814-K819 WeakPolarHBondContact O-CE 3.2Å; N815-K819 PolarHBondContact O-N 3.22Å; K819-R823 WeakPolarHBondContact O-CB 3.42Å; K819-R823 PolarHBondContact O-N 3.03Å |
| 820 | M | 50.7 | Low | 47.7 | Very low | 106 Ų | 106 | 99.6 Ų | 99.6 | 52% | 0.522 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 176.3 | -81.1 | -170 | -106.2 | 0 | 0 | 112.8 | T816 E817 R823 R824 | T816-M820 WeakPolarHBondContact O-CB 3.49Å; T816-M820 WeakPolarHBondContact O-CG 3.48Å; T816-M820 PolarHBondContact O-N 2.81Å; E817-M820 PolarHBondContact O-N 3.44Å; M820-R823 PolarHBondContact O-N 2.94Å; M820-R824 WeakPolarHBondContact O-CB 3.38Å; M820-R824 WeakPolarHBondContact O-CG 3.22Å; M820-R824 PolarHBondContact O-N 3.38Å |
| 821 | K | 48.3 | Very low | 48.1 | Very low | 113 Ų | 113 | 102.9 Ų | 102.9 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 175.1 | -83 | 172 | 171 | 159 | 0 | 111.7 | E817 I818 M825 | E817-K821 WeakPolarHBondContact O-CB 3.47Å; E817-K821 WeakPolarHBondContact O-CG 3.39Å; E817-K821 PolarHBondContact O-N 3.15Å; E817-K821 IonicContact OE1-NZ 3.22Å; E817-K821 PolarHBondContact OE1-NZ 2.87Å; I818-K821 PolarHBondContact O-N 3Å; K821-M825 HydrophobicContact CB-CE 4.34Å; K821-M825 WeakPolarHBondContact O-CB 3.34Å; K821-M825 WeakPolarHBondContact O-CE 3.06Å; K821-M825 PolarHBondContact O-N 3.14Å |
| 822 | L | 47.2 | Very low | 48.4 | Very low | 36 Ų | 36 | 101.6 Ų | 101.6 | 19% | 0.188 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -68.2 | -37.5 | 174.9 | -74.9 | 170.9 | 0 | 0 | 0 | 112 | I800 L804 I818 M825 A826 | I800-L822 HydrophobicContact CG2-CD2 3.95Å; L804-L822 HydrophobicContact CD1-CB 4.13Å; L804-L822 HydrophobicContact CD2-CB 3.79Å; L804-L822 HydrophobicContact CD2-CD1 4.35Å; L804-L822 HydrophobicContact CG-CB 4.38Å; I818-L822 HydrophobicContact CG2-CD1 3.64Å; I818-L822 HydrophobicContact CG2-CG 4.16Å; I818-L822 WeakPolarHBondContact O-CB 3.08Å; I818-L822 VanDerWaalsContact O-CG 3.26Å; I818-L822 WeakPolarHBondContact O-CG 3.41Å; I818-L822 PolarHBondContact O-N 2.04Å; L822-M825 HydrophobicContact CD2-CE 4.02Å; L822-M825 HydrophobicContact CD2-SD 4.48Å; L822-M825 HydrophobicContact CG-CE 4.5Å; L822-M825 WeakPolarHBondContact O-CB 3.44Å; L822-M825 PolarHBondContact O-N 2.95Å; L822-A826 WeakPolarHBondContact O-CB 3.46Å; L822-A826 PolarHBondContact O-N 2.85Å |
| 823 | R | 55.4 | Low | 48.7 | Very low | 139 Ų | 139 | 91.6 Ų | 91.6 | 53% | 0.525 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.7 | -49.1 | 171 | -98 | -171.4 | 177.4 | -170.3 | -7.7 | 112.3 | E808 K819 M820 M825 A826 E827 | E808-R823 IonicContact OE1-NE 3.57Å; E808-R823 PolarHBondContact OE1-NE 2.04Å; K819-R823 WeakPolarHBondContact O-CB 3.42Å; K819-R823 PolarHBondContact O-N 3.03Å; M820-R823 PolarHBondContact O-N 2.94Å; R823-M825 VanDerWaalsContact C-N 3.27Å; R823-M825 PolarHBondContact O-N 3.44Å; R823-A826 PolarHBondContact O-N 2.95Å; R823-A826 VanDerWaalsContact O-N 3.14Å; R823-E827 WeakPolarHBondContact O-CB 3.3Å; R823-E827 WeakPolarHBondContact O-CG 3.48Å; R823-E827 PolarHBondContact O-N 3.45Å |
| 824 | R | 57.2 | Low | 49 | Very low | 163 Ų | 163 | 95.8 Ų | 95.8 | 62% | 0.615 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.6 | -41.7 | 175 | -76 | -178.9 | -174.1 | 172.3 | 1.4 | 110.9 | M820 E827 E828 | M820-R824 WeakPolarHBondContact O-CB 3.38Å; M820-R824 WeakPolarHBondContact O-CG 3.22Å; M820-R824 PolarHBondContact O-N 3.38Å; R824-E827 PolarHBondContact O-N 3.02Å; R824-E828 WeakPolarHBondContact O-CB 3.18Å; R824-E828 WeakPolarHBondContact O-CG 3.44Å; R824-E828 PolarHBondContact O-N 2.98Å |
| 825 | M | 50.4 | Low | 49.3 | Very low | 53 Ų | 53 | 105.4 Ų | 105.4 | 26% | 0.261 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57.2 | -50 | 171.8 | -96.3 | -177.4 | -94.7 | 0 | 0 | 112.5 | I765 K821 L822 R823 T829 | I765-M825 HydrophobicContact CB-CG 4.39Å; I765-M825 HydrophobicContact CB-SD 3.79Å; I765-M825 HydrophobicContact CD1-CE 4.38Å; I765-M825 HydrophobicContact CD1-CG 3.23Å; I765-M825 HydrophobicContact CD1-SD 3.65Å; I765-M825 HydrophobicContact CG1-CG 3.8Å; I765-M825 HydrophobicContact CG1-SD 3.9Å; I765-M825 HydrophobicContact CG2-CE 4.49Å; I765-M825 HydrophobicContact CG2-SD 3.91Å; K821-M825 HydrophobicContact CB-CE 4.34Å; K821-M825 WeakPolarHBondContact O-CB 3.34Å; K821-M825 WeakPolarHBondContact O-CE 3.06Å; K821-M825 PolarHBondContact O-N 3.14Å; L822-M825 HydrophobicContact CD2-CE 4.02Å; L822-M825 HydrophobicContact CD2-SD 4.48Å; L822-M825 HydrophobicContact CG-CE 4.5Å; L822-M825 WeakPolarHBondContact O-CB 3.44Å; L822-M825 PolarHBondContact O-N 2.95Å; R823-M825 VanDerWaalsContact C-N 3.27Å; R823-M825 PolarHBondContact O-N 3.44Å; M825-T829 WeakPolarHBondContact O-CB 3.32Å; M825-T829 PolarHBondContact O-N 3.42Å; M825-T829 PolarHBondContact O-OG1 3.5Å |
| 826 | A | 51.6 | Low | 49.2 | Very low | 28 Ų | 28 | 101.7 Ų | 101.7 | 23% | 0.231 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -66.8 | -37.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L804 L822 R823 R830 | L804-A826 HydrophobicContact CD1-CB 4.05Å; L822-A826 WeakPolarHBondContact O-CB 3.46Å; L822-A826 PolarHBondContact O-N 2.85Å; R823-A826 PolarHBondContact O-N 2.95Å; R823-A826 VanDerWaalsContact O-N 3.14Å; A826-R830 WeakPolarHBondContact O-CB 3.2Å; A826-R830 PolarHBondContact O-N 3.25Å |
| 827 | E | 56.4 | Low | 49.2 | Very low | 97 Ų | 97 | 100.3 Ų | 100.3 | 45% | 0.453 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.3 | -40.5 | 177.7 | -75.9 | 173.2 | -175.9 | 0 | 0 | 112.5 | R823 R824 R830 R831 | R823-E827 WeakPolarHBondContact O-CB 3.3Å; R823-E827 WeakPolarHBondContact O-CG 3.48Å; R823-E827 PolarHBondContact O-N 3.45Å; R824-E827 PolarHBondContact O-N 3.02Å; E827-R830 PolarHBondContact O-N 3.39Å; E827-R831 WeakPolarHBondContact O-CB 3.35Å; E827-R831 WeakPolarHBondContact O-CG 3.18Å; E827-R831 PolarHBondContact O-N 2.81Å |
| 828 | E | 52.4 | Low | 49.5 | Very low | 115 Ų | 115 | 106.1 Ų | 106.1 | 54% | 0.537 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65 | -43.6 | 173.8 | -78.9 | 175.3 | 173 | 0 | 0 | 111.1 | R824 R830 R831 N832 | R824-E828 WeakPolarHBondContact O-CB 3.18Å; R824-E828 WeakPolarHBondContact O-CG 3.44Å; R824-E828 PolarHBondContact O-N 2.98Å; E828-R830 VanDerWaalsContact C-N 3.33Å; E828-R830 PolarHBondContact O-N 2.84Å; E828-R831 PolarHBondContact O-N 3.24Å; E828-N832 PolarHBondContact O-N 3.48Å |
| 829 | T | 49.4 | Very low | 49.4 | Very low | 57 Ų | 57 | 109 Ų | 109 | 35% | 0.35 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.5 | -41.4 | 175.4 | -47.9 | 0 | 0 | 0 | 0 | 111 | M825 G833 | M825-T829 WeakPolarHBondContact O-CB 3.32Å; M825-T829 PolarHBondContact O-N 3.42Å; M825-T829 PolarHBondContact O-OG1 3.5Å; T829-G833 PolarHBondContact O-N 2.79Å |
| 830 | R | 54.6 | Low | 49.1 | Very low | 202 Ų | 202 | 111.1 Ų | 111.1 | 76% | 0.762 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.4 | -41.5 | 174.9 | -101.4 | -179 | 162.4 | 165.8 | -3.1 | 113.3 | A826 E827 E828 N832 G833 | A826-R830 WeakPolarHBondContact O-CB 3.2Å; A826-R830 PolarHBondContact O-N 3.25Å; E827-R830 PolarHBondContact O-N 3.39Å; E828-R830 VanDerWaalsContact C-N 3.33Å; E828-R830 PolarHBondContact O-N 2.84Å; R830-N832 VanDerWaalsContact C-N 3.35Å; R830-G833 PolarHBondContact O-N 3.37Å |
| 831 | R | 54.5 | Low | 48.6 | Very low | 186 Ų | 186 | 108.5 Ų | 108.5 | 70% | 0.702 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.9 | -35.3 | 179.9 | -80.9 | 179.6 | 175.6 | 172 | 0.9 | 112.1 | E827 E828 | E827-R831 WeakPolarHBondContact O-CB 3.35Å; E827-R831 WeakPolarHBondContact O-CG 3.18Å; E827-R831 PolarHBondContact O-N 2.81Å; E828-R831 PolarHBondContact O-N 3.24Å |
| 832 | N | 50.4 | Low | 48.1 | Very low | 80 Ų | 80 | 109.4 Ų | 109.4 | 43% | 0.428 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -74.5 | -26 | 176.4 | -75.7 | -5.5 | 0 | 0 | 0 | 113.1 | D763 E828 R830 N834 | D763-N832 PolarHBondContact OD1-ND2 3.23Å; E828-N832 PolarHBondContact O-N 3.48Å; R830-N832 VanDerWaalsContact C-N 3.35Å; N832-N834 VanDerWaalsContact C-N 3.32Å; N832-N834 PolarHBondContact O-N 2.97Å |
| 833 | G | 47.4 | Very low | 47.7 | Very low | 41 Ų | 41 | 114.2 Ų | 114.2 | 42% | 0.423 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.9 | -23.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | T829 R830 Q841 | T829-G833 PolarHBondContact O-N 2.79Å; R830-G833 PolarHBondContact O-N 3.37Å; G833-Q841 PolarHBondContact O-NE2 2.88Å |
| 834 | N | 47.6 | Very low | 46.9 | Very low | 130 Ų | 130 | 115 Ų | 115 | 70% | 0.695 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.4 | -1.2 | -173.1 | -78.9 | -9.9 | 0 | 0 | 0 | 115.3 | N832 | N832-N834 VanDerWaalsContact C-N 3.32Å; N832-N834 PolarHBondContact O-N 2.97Å |
| 835 | R | 47 | Very low | 46 | Very low | 223 Ų | 223 | 113.2 Ų | 113.2 | 84% | 0.842 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 5.6 | 179.5 | -80.5 | -177.8 | 171.8 | 170.4 | -3.3 | 114.9 | ||
| 836 | G | 41.8 | Very low | 45.5 | Very low | 20 Ų | 20 | 117.8 Ų | 117.8 | 21% | 0.206 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -92.1 | 140.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 837 | S | 40.4 | Very low | 45 | Very low | 67 Ų | 67 | 124 Ų | 124 | 47% | 0.469 | 57% | 0.572 | S | S | . | * | trans | -56.3 | 145.4 | 172.8 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | Q839 Q840 Q841 | S837-Q839 PolarHBondContact O-N 3.32Å; S837-Q840 CarbonylContact O-C 3.51Å; S837-Q840 WeakPolarHBondContact O-CA 3.48Å; S837-Q840 PolarHBondContact O-N 2.91Å; S837-Q840 WeakPolarHBondContact OG-CG 3.33Å; S837-Q841 PolarHBondContact O-N 3.43Å | ||
| 838 | R | 46.1 | Very low | 44.4 | Very low | 219 Ų | 219 | 125.6 Ų | 125.6 | 83% | 0.826 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -50.6 | -32.1 | -177.3 | -85.9 | 179.5 | 168.5 | 168.2 | -4.1 | 113.9 | Q842 | R838-Q842 PolarHBondContact O-N 3.46Å; R838-Q842 VanDerWaalsContact O-N 3.17Å |
| 839 | Q | 41.5 | Very low | 44.3 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 73% | 0.729 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74.2 | -36.2 | 174.6 | -77.9 | 177.3 | -14.1 | 0 | 0 | 113.5 | S837 Q843 | S837-Q839 PolarHBondContact O-N 3.32Å; Q839-Q843 PolarHBondContact O-N 3.38Å |
| 840 | Q | 41.5 | Very low | 44.8 | Very low | 103 Ų | 103 | 131.3 Ų | 131.3 | 48% | 0.481 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -72.3 | -30.3 | 172.1 | -77.3 | 178.9 | 0.9 | 0 | 0 | 112.2 | S837 R844 | S837-Q840 CarbonylContact O-C 3.51Å; S837-Q840 WeakPolarHBondContact O-CA 3.48Å; S837-Q840 PolarHBondContact O-N 2.91Å; S837-Q840 WeakPolarHBondContact OG-CG 3.33Å; Q840-R844 VanDerWaalsContact O-CB 3.24Å; Q840-R844 WeakPolarHBondContact O-CB 3.19Å; Q840-R844 VanDerWaalsContact O-CG 3.24Å; Q840-R844 WeakPolarHBondContact O-CG 3.47Å; Q840-R844 PolarHBondContact O-N 2.81Å |
| 841 | Q | 40.2 | Very low | 45 | Very low | 51 Ų | 51 | 121.9 Ų | 121.9 | 24% | 0.238 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -68.2 | -40 | 173.3 | -84.1 | -178.9 | -20.8 | 0 | 0 | 112.2 | G833 S837 R844 Q845 | G833-Q841 PolarHBondContact O-NE2 2.88Å; S837-Q841 PolarHBondContact O-N 3.43Å; Q841-R844 PolarHBondContact O-N 3.35Å; Q841-Q845 VanDerWaalsContact O-CB 3.23Å; Q841-Q845 WeakPolarHBondContact O-CB 2.79Å; Q841-Q845 WeakPolarHBondContact O-CG 3.36Å; Q841-Q845 PolarHBondContact O-N 3.05Å |
| 842 | Q | 37.3 | Very low | 45.9 | Very low | 131 Ų | 131 | 115.1 Ų | 115.1 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.6 | -39.1 | 175.8 | -79.5 | 178.2 | -10.9 | 0 | 0 | 112.8 | R838 Q846 | R838-Q842 PolarHBondContact O-N 3.46Å; R838-Q842 VanDerWaalsContact O-N 3.17Å; Q842-Q846 PolarHBondContact O-N 3.41Å; Q842-Q846 VanDerWaalsContact O-N 3.15Å |
| 843 | Q | 39 | Very low | 47 | Very low | 138 Ų | 138 | 111.8 Ų | 111.8 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.4 | -38.7 | 174 | -77.6 | -179.3 | -5.5 | 0 | 0 | 112.7 | Q839 Q846 Q847 | Q839-Q843 PolarHBondContact O-N 3.38Å; Q843-Q846 PolarHBondContact O-N 2.55Å; Q843-Q847 PolarHBondContact O-N 3.23Å |
| 844 | R | 37.8 | Very low | 48.6 | Very low | 154 Ų | 154 | 110 Ų | 110 | 58% | 0.581 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.7 | -37.1 | 174.3 | -77.2 | 178.8 | 174.5 | -161.6 | -1.2 | 112.3 | Q840 Q841 Q847 Q848 | Q840-R844 VanDerWaalsContact O-CB 3.24Å; Q840-R844 WeakPolarHBondContact O-CB 3.19Å; Q840-R844 VanDerWaalsContact O-CG 3.24Å; Q840-R844 WeakPolarHBondContact O-CG 3.47Å; Q840-R844 PolarHBondContact O-N 2.81Å; Q841-R844 PolarHBondContact O-N 3.35Å; R844-Q847 PolarHBondContact O-N 3.19Å; R844-Q848 VanDerWaalsContact O-CB 3.25Å; R844-Q848 WeakPolarHBondContact O-CB 3.49Å; R844-Q848 WeakPolarHBondContact O-CG 3.41Å; R844-Q848 PolarHBondContact O-N 2.89Å; R844-Q848 VanDerWaalsContact O-N 3.08Å |
| 845 | Q | 38.9 | Very low | 50 | Low | 127 Ų | 127 | 106.1 Ų | 106.1 | 59% | 0.593 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -70.7 | -28.2 | 177.5 | -78.4 | 174.5 | 1.5 | 0 | 0 | 113.4 | Q841 | Q841-Q845 VanDerWaalsContact O-CB 3.23Å; Q841-Q845 WeakPolarHBondContact O-CB 2.79Å; Q841-Q845 WeakPolarHBondContact O-CG 3.36Å; Q841-Q845 PolarHBondContact O-N 3.05Å |
| 846 | Q | 39 | Very low | 51.7 | Low | 149 Ų | 149 | 95.5 Ų | 95.5 | 70% | 0.696 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -79.1 | -25 | 174.8 | -78.6 | -179 | -9.5 | 0 | 0 | 113.5 | Q842 Q843 | Q842-Q846 PolarHBondContact O-N 3.41Å; Q842-Q846 VanDerWaalsContact O-N 3.15Å; Q843-Q846 PolarHBondContact O-N 2.55Å |
| 847 | Q | 41.8 | Very low | 53.7 | Low | 158 Ų | 158 | 96.7 Ų | 96.7 | 74% | 0.738 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -95.1 | -11.4 | 177.1 | -76.1 | 179.5 | -9.4 | 0 | 0 | 114.6 | Q843 R844 R849 | Q843-Q847 PolarHBondContact O-N 3.23Å; R844-Q847 PolarHBondContact O-N 3.19Å; Q847-R849 VanDerWaalsContact C-N 3.28Å; Q847-R849 PolarHBondContact O-N 2.87Å |
| 848 | Q | 44.8 | Very low | 56 | Low | 131 Ų | 131 | 93.7 Ų | 93.7 | 61% | 0.612 | 42% | 0.416 | S | S | * | . | trans | -82.5 | 29 | -178.8 | -88.9 | 176.9 | -22.7 | 0 | 0 | 115.5 | R844 Q850 | R844-Q848 VanDerWaalsContact O-CB 3.25Å; R844-Q848 WeakPolarHBondContact O-CB 3.49Å; R844-Q848 WeakPolarHBondContact O-CG 3.41Å; R844-Q848 PolarHBondContact O-N 2.89Å; R844-Q848 VanDerWaalsContact O-N 3.08Å; Q848-Q850 PolarHBondContact O-N 3.38Å | ||
| 849 | R | 50.5 | Low | 57.8 | Low | 197 Ų | 197 | 85.3 Ų | 85.3 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | trans | -86.1 | 111.7 | -175.9 | -68.9 | -178.1 | 173 | -173.3 | -2.5 | 112.1 | Q847 | Q847-R849 VanDerWaalsContact C-N 3.28Å; Q847-R849 PolarHBondContact O-N 2.87Å | ||
| 850 | Q | 58.1 | Low | 59.9 | Low | 95 Ų | 95 | 78.2 Ų | 78.2 | 44% | 0.444 | 35% | 0.352 | S | S | . | . | trans | 80.4 | 121.3 | 169.8 | -59.7 | -177.4 | -15.1 | 0 | 0 | 118.6 | Q848 E871 | Q848-Q850 PolarHBondContact O-N 3.38Å; Q850-E871 VanDerWaalsContact CA-OE2 3.28Å; Q850-E871 WeakPolarHBondContact CA-OE2 3.23Å; Q850-E871 HydrophobicContact CB-CB 4.5Å | ||
| 851 | T | 58.6 | Low | 62.1 | Low | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | trans | -66.5 | 130.5 | 165.3 | -68.1 | 0 | 0 | 0 | 0 | 110.1 | S795 I799 N870 E871 L874 | S795-T851 WeakPolarHBondContact O-CG2 3.2Å; S795-T851 PolarHBondContact O-OG1 2.81Å; I799-T851 HydrophobicContact CD1-CG2 3.39Å; I799-T851 HydrophobicContact CG1-CG2 3.92Å; T851-N870 CarbonylContact O-C 3.59Å; T851-E871 PolarHBondContact N-OE2 3.11Å; T851-E871 PolarHBondContact O-N 3.25Å; T851-L874 HydrophobicContact CG2-CD1 4.22Å | ||
| 852 | K | 75.2 | Confident | 64.5 | Low | 43 Ų | 43 | 71.9 Ų | 71.9 | 19% | 0.187 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 134.6 | 179.5 | -59.7 | 178.4 | -173.9 | 178.1 | 0 | 108.7 | W587 T793 S794 | W587-K852 HydrophobicContact CB-CD 3.99Å; W587-K852 HydrophobicContact CD2-CB 4.5Å; W587-K852 HydrophobicContact CD2-CD 3.54Å; W587-K852 HydrophobicContact CE3-CB 4.29Å; W587-K852 HydrophobicContact CE3-CD 3.74Å; W587-K852 HydrophobicContact CE3-CG 4.42Å; W587-K852 HydrophobicContact CG-CD 3.63Å; W587-K852 HydrophobicContact CH2-CB 4.3Å; W587-K852 HydrophobicContact CZ2-CB 4.48Å; W587-K852 HydrophobicContact CZ3-CB 4.19Å; W587-K852 HydrophobicContact CZ3-CD 4.48Å; T793-K852 CarbonylContact C-O 3.44Å; T793-K852 VanDerWaalsContact CA-O 3.26Å; T793-K852 WeakPolarHBondContact CA-O 3.46Å; S794-K852 PolarHBondContact N-O 2.83Å; S794-K852 PolarHBondContact OG-N 3.46Å; S794-K852 PolarHBondContact OG-O 2.69Å |
| 853 | A | 72.9 | Confident | 67 | Low | 10 Ų | 10 | 65.8 Ų | 65.8 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 151.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | G792 F869 L874 | G792-A853 CarbonylContact O-C 3.53Å; G792-A853 VanDerWaalsContact O-CA 3.25Å; G792-A853 WeakPolarHBondContact O-CA 3.26Å; A853-F869 HydrophobicContact CB-CB 4.34Å; A853-F869 HydrophobicContact CB-CD2 4.43Å; A853-F869 PolarHBondContact N-O 2.89Å; A853-F869 PolarHBondContact O-N 2.64Å; A853-L874 HydrophobicContact CB-CD1 4.16Å |
| 854 | W | 81.2 | Confident | 69.3 | Low | 3 Ų | 3 | 61.2 Ų | 61.2 | 1% | 0.011 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 154.3 | 176.6 | 63.6 | 107.4 | 0 | 0 | 0 | 111.7 | W587 A623 L626 E627 F769 I791 G792 L866 L867 T868 | W587-W854 HydrophobicContact CH2-CB 4.04Å; W587-W854 AromaticContact CH2-CD2 3.83Å; W587-W854 HydrophobicContact CH2-CD2 3.83Å; W587-W854 AromaticContact CH2-CE3 3.43Å; W587-W854 HydrophobicContact CH2-CE3 3.43Å; W587-W854 VanDerWaalsContact CH2-CE3 3.43Å; W587-W854 HydrophobicContact CH2-CG 4.11Å; W587-W854 HydrophobicContact CH2-CZ3 4.15Å; W587-W854 HydrophobicContact CZ2-CD2 4.03Å; W587-W854 AromaticContact CZ2-CE3 3.52Å; W587-W854 HydrophobicContact CZ2-CE3 3.52Å; W587-W854 HydrophobicContact CZ2-CH2 4.49Å; W587-W854 AromaticContact CZ2-CZ3 3.79Å; W587-W854 HydrophobicContact CZ2-CZ3 3.79Å; A623-W854 HydrophobicContact CB-CH2 3.8Å; A623-W854 HydrophobicContact CB-CZ3 4.29Å; L626-W854 HydrophobicContact CD2-CZ2 4.5Å; E627-W854 PolarHBondContact OE1-NE1 2.93Å; F769-W854 HydrophobicContact CD2-CZ2 4.42Å; I791-W854 CarbonylContact C-O 3.52Å; I791-W854 WeakPolarHBondContact CA-O 3.3Å; G792-W854 VanDerWaalsContact C-CE3 3.47Å; G792-W854 VanDerWaalsContact C-CZ3 3.49Å; G792-W854 PolarHBondContact N-O 2.72Å; G792-W854 PolarHBondContact O-N 3.12Å; W854-L866 HydrophobicContact CB-CD1 4.36Å; W854-L867 CarbonylContact C-O 3.57Å; W854-L867 WeakPolarHBondContact CA-O 3.42Å; W854-L867 WeakPolarHBondContact CB-O 3.14Å; W854-T868 HydrophobicContact CB-CG2 4.23Å |
| 855 | M | 76.7 | Confident | 71.5 | Confident | 49 Ų | 49 | 56.9 Ų | 56.9 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131 | 173.8 | -177.3 | 176.1 | 84 | 0 | 0 | 108.7 | L789 E790 I791 M865 L867 F869 | L789-M855 HydrophobicContact CD1-CG 3.62Å; L789-M855 HydrophobicContact CD1-SD 3.84Å; E790-M855 CarbonylContact O-C 3.57Å; E790-M855 WeakPolarHBondContact O-CA 3.13Å; I791-M855 HydrophobicContact CG1-CG 4.05Å; M855-M865 HydrophobicContact CE-CE 4.12Å; M855-L867 HydrophobicContact CE-CD1 3.74Å; M855-L867 PolarHBondContact N-O 2.92Å; M855-L867 PolarHBondContact O-N 3.25Å; M855-F869 HydrophobicContact CB-CE2 4.46Å |
| 856 | S | 82.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 147.4 | 175.6 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | R595 L789 E790 D863 M865 | R595-S856 PolarHBondContact NH1-OG 2.97Å; L789-S856 CarbonylContact C-O 3.57Å; L789-S856 WeakPolarHBondContact CA-O 3.4Å; E790-S856 PolarHBondContact N-O 2.91Å; E790-S856 PolarHBondContact O-N 2.85Å; S856-D863 PolarHBondContact OG-OD1 2.94Å; S856-D863 VanDerWaalsContact OG-OD1 3.05Å; S856-M865 WeakPolarHBondContact CA-O 2.96Å; S856-M865 PolarHBondContact OG-O 2.77Å; S856-M865 VanDerWaalsContact OG-O 3.11Å |
| 857 | M | 83.5 | Confident | 75.5 | Confident | 45 Ų | 45 | 46 Ų | 46 | 22% | 0.222 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 135.2 | 170.1 | -67.6 | 175.1 | 55.3 | 0 | 0 | 109.7 | F787 A788 L789 I864 M865 | F787-M857 HydrophobicContact CE2-CE 3.39Å; F787-M857 HydrophobicContact CZ-CE 3.61Å; A788-M857 CarbonylContact O-C 3.52Å; A788-M857 WeakPolarHBondContact O-CA 3.07Å; L789-M857 HydrophobicContact CD1-CG 3.74Å; M857-I864 HydrophobicContact CB-CG1 4.22Å; M857-I864 VanDerWaalsContact O-CG1 3.28Å; M857-I864 WeakPolarHBondContact O-CG1 3.35Å; M857-I864 PolarHBondContact O-N 3.47Å; M857-M865 HydrophobicContact CB-CB 4.29Å; M857-M865 HydrophobicContact CG-CE 3.87Å; M857-M865 PolarHBondContact N-O 3.13Å; M857-M865 PolarHBondContact O-N 2.98Å; M857-M865 HydrophobicContact SD-CE 3.28Å; M857-M865 WeakPolarHBondContact SD-CE 3.34Å; M857-M865 HydrophobicContact SD-SD 4.36Å |
| 858 | K | 88.8 | Confident | 77.1 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 142.8 | 172.6 | -59.7 | -176.9 | -167.4 | -81.2 | 0 | 111.6 | N785 F787 A788 E790 Q862 D863 | N785-K858 HydrophobicContact CB-CB 4.47Å; F787-K858 WeakPolarHBondContact CA-O 3.03Å; A788-K858 HydrophobicContact CB-CB 4.29Å; A788-K858 PolarHBondContact N-O 2.71Å; A788-K858 PolarHBondContact O-N 3.13Å; E790-K858 WeakPolarHBondContact OE1-CE 3.03Å; E790-K858 IonicContact OE1-NZ 2.98Å; E790-K858 WeakPolarHBondContact OE2-CE 3.41Å; E790-K858 IonicContact OE2-NZ 3.17Å; K858-Q862 CarbonylContact C-O 3.53Å; K858-Q862 WeakPolarHBondContact CA-O 3.5Å; K858-Q862 WeakPolarHBondContact CB-O 3.08Å; K858-D863 IonicContact NZ-OD1 3.08Å; K858-D863 PolarHBondContact NZ-OD1 2.73Å; K858-D863 IonicContact NZ-OD2 3.67Å; K858-D863 PolarHBondContact NZ-OD2 3.3Å |
| 859 | F | 85 | Confident | 78.3 | Confident | 44 Ų | 44 | 35.2 Ų | 35.2 | 19% | 0.193 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 127.4 | 169.6 | -177.9 | -108.8 | 0 | 0 | 0 | 109 | M492 L786 N861 Q862 I864 | M492-F859 HydrophobicContact CE-CD1 4.3Å; M492-F859 HydrophobicContact SD-CD1 4.32Å; L786-F859 HydrophobicContact CD1-CE2 4.27Å; L786-F859 WeakPolarHBondContact O-CA 3.2Å; L786-F859 WeakPolarHBondContact O-CD2 3.34Å; F859-N861 PolarHBondContact O-N 2.84Å; F859-N861 VanDerWaalsContact O-N 3.17Å; F859-Q862 PolarHBondContact N-O 2.88Å; F859-Q862 WeakPolarHBondContact O-CB 3.29Å; F859-Q862 PolarHBondContact O-N 2.8Å; F859-I864 HydrophobicContact CB-CD1 3.93Å; F859-I864 HydrophobicContact CB-CG1 4.42Å; F859-I864 HydrophobicContact CB-CG2 4.04Å |
| 860 | R | 83.6 | Confident | 79.3 | Confident | 7 Ų | 7 | 28 Ų | 28 | 3% | 0.026 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | 44.5 | -175.4 | -59.7 | 173.8 | 70.5 | -158.2 | -0.7 | 113.5 | F255 D493 R784 N785 L786 Q862 | F255-R860 HydrophobicContact CB-CB 4.18Å; D493-R860 IonicContact OD1-NH1 2.68Å; D493-R860 PolarHBondContact OD1-NH1 3.14Å; D493-R860 IonicContact OD2-NH1 2.83Å; D493-R860 PolarHBondContact OD2-NH1 3.26Å; R784-R860 CarbonylContact O-C 3.47Å; N785-R860 WeakPolarHBondContact O-CA 3.48Å; N785-R860 PolarHBondContact O-N 2.84Å; L786-R860 HydrophobicContact CD1-CG 4.29Å; L786-R860 PolarHBondContact O-N 2.86Å; R860-Q862 VanDerWaalsContact C-N 3.25Å; R860-Q862 PolarHBondContact O-N 2.77Å |
| 861 | N | 88 | Confident | 79.8 | Confident | 21 Ų | 21 | 25.2 Ų | 25.2 | 11% | 0.112 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 14.2 | -179.7 | -153.5 | 35.6 | 0 | 0 | 0 | 116 | R633 H634 R784 N785 F859 | R633-N861 PolarHBondContact NE-O 3.15Å; H634-N861 PolarHBondContact CE1-ND2 3.32Å; H634-N861 PolarHBondContact CE1-O 3.14Å; H634-N861 PolarHBondContact NE2-O 2.92Å; H634-N861 VanDerWaalsContact NE2-O 3.11Å; R784-N861 HydrophobicContact CB-CB 4.47Å; R784-N861 PolarHBondContact O-N 2.82Å; R784-N861 VanDerWaalsContact O-N 3.14Å; N785-N861 PolarHBondContact ND2-OD1 2.81Å; N785-N861 PolarHBondContact O-N 3.11Å; F859-N861 PolarHBondContact O-N 2.84Å; F859-N861 VanDerWaalsContact O-N 3.17Å |
| 862 | Q | 90.8 | Very high | 80.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.6 | 170 | -62.1 | -63.5 | -38.6 | 0 | 0 | 110.2 | F255 M492 S530 N599 H634 K858 F859 R860 I864 | F255-Q862 HydrophobicContact CD1-CG 4.03Å; F255-Q862 HydrophobicContact CE1-CG 3.78Å; F255-Q862 VanDerWaalsContact CE1-NE2 3.25Å; F255-Q862 HydrophobicContact CZ-CG 4.21Å; M492-Q862 HydrophobicContact CE-CB 3.62Å; M492-Q862 HydrophobicContact CE-CG 3.55Å; M492-Q862 HydrophobicContact SD-CB 4.43Å; S530-Q862 PolarHBondContact OG-OE1 2.87Å; N599-Q862 VanDerWaalsContact CB-OE1 3.31Å; N599-Q862 PolarHBondContact O-OE1 3.46Å; N599-Q862 PolarHBondContact OD1-OE1 2.94Å; H634-Q862 PolarHBondContact NE2-NE2 2.98Å; K858-Q862 CarbonylContact C-O 3.53Å; K858-Q862 WeakPolarHBondContact CA-O 3.5Å; K858-Q862 WeakPolarHBondContact CB-O 3.08Å; F859-Q862 PolarHBondContact N-O 2.88Å; F859-Q862 WeakPolarHBondContact O-CB 3.29Å; F859-Q862 PolarHBondContact O-N 2.8Å; R860-Q862 VanDerWaalsContact C-N 3.25Å; R860-Q862 PolarHBondContact O-N 2.77Å; Q862-I864 PolarHBondContact O-N 3.35Å |
| 863 | D | 90.6 | Very high | 79.9 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 119.7 | 169 | -69.7 | -77.3 | 0 | 0 | 0 | 108.9 | L526 R595 N599 R633 S856 K858 | L526-D863 HydrophobicContact CD1-CB 4.42Å; L526-D863 HydrophobicContact CD2-CB 3.9Å; R595-D863 IonicContact CZ-OD1 2.96Å; R595-D863 IonicContact NH1-OD1 3.01Å; R595-D863 PolarHBondContact NH1-OD1 2.87Å; N599-D863 PolarHBondContact ND2-O 2.79Å; N599-D863 PolarHBondContact OD1-N 3.28Å; R633-D863 IonicContact CZ-OD2 3.89Å; R633-D863 VanDerWaalsContact CZ-OD2 3.32Å; R633-D863 IonicContact NH1-OD2 2.78Å; R633-D863 PolarHBondContact NH1-OD2 3.36Å; R633-D863 IonicContact NH2-OD2 2.89Å; R633-D863 PolarHBondContact NH2-OD2 3.23Å; S856-D863 PolarHBondContact OG-OD1 2.94Å; S856-D863 VanDerWaalsContact OG-OD1 3.05Å; K858-D863 IonicContact NZ-OD1 3.08Å; K858-D863 PolarHBondContact NZ-OD1 2.73Å; K858-D863 IonicContact NZ-OD2 3.67Å; K858-D863 PolarHBondContact NZ-OD2 3.3Å |
| 864 | I | 86.6 | Confident | 79.4 | Confident | 43 Ų | 43 | 33.7 Ų | 33.7 | 22% | 0.221 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -19.6 | -178.8 | 59.2 | 163.4 | 0 | 0 | 0 | 112.9 | T489 M492 M857 F859 Q862 | T489-I864 WeakPolarHBondContact CG2-O 3.17Å; M492-I864 HydrophobicContact SD-CG2 3.57Å; M492-I864 VanDerWaalsContact SD-CG2 3.57Å; M857-I864 HydrophobicContact CB-CG1 4.22Å; M857-I864 VanDerWaalsContact O-CG1 3.28Å; M857-I864 WeakPolarHBondContact O-CG1 3.35Å; M857-I864 PolarHBondContact O-N 3.47Å; F859-I864 HydrophobicContact CB-CD1 3.93Å; F859-I864 HydrophobicContact CB-CG1 4.42Å; F859-I864 HydrophobicContact CB-CG2 4.04Å; Q862-I864 PolarHBondContact O-N 3.35Å |
| 865 | M | 84.6 | Confident | 78.6 | Confident | 62 Ų | 62 | 35.6 Ų | 35.6 | 31% | 0.305 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 139.4 | -179.7 | -170.8 | 180 | 78.3 | 0 | 0 | 110.5 | M855 S856 M857 L867 | M855-M865 HydrophobicContact CE-CE 4.12Å; S856-M865 WeakPolarHBondContact CA-O 2.96Å; S856-M865 PolarHBondContact OG-O 2.77Å; S856-M865 VanDerWaalsContact OG-O 3.11Å; M857-M865 HydrophobicContact CB-CB 4.29Å; M857-M865 HydrophobicContact CG-CE 3.87Å; M857-M865 PolarHBondContact N-O 3.13Å; M857-M865 PolarHBondContact O-N 2.98Å; M857-M865 HydrophobicContact SD-CE 3.28Å; M857-M865 WeakPolarHBondContact SD-CE 3.34Å; M857-M865 HydrophobicContact SD-SD 4.36Å; M865-L867 HydrophobicContact CE-CD1 4.2Å; M865-L867 HydrophobicContact CE-CG 4.18Å |
| 866 | L | 83 | Confident | 78 | Confident | 2 Ų | 2 | 38.4 Ų | 38.4 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 113 | 174.3 | 178.9 | 70.6 | 0 | 0 | 0 | 111.1 | R522 V591 I592 W854 T868 | R522-L866 PolarHBondContact NH1-O 2.83Å; R522-L866 VanDerWaalsContact NH1-O 3.1Å; V591-L866 HydrophobicContact CG1-CD1 4.43Å; V591-L866 HydrophobicContact CG1-CD2 3.91Å; I592-L866 HydrophobicContact CB-CD2 4.15Å; I592-L866 HydrophobicContact CD1-CD2 3.96Å; W854-L866 HydrophobicContact CB-CD1 4.36Å; L866-T868 HydrophobicContact CD2-CG2 4.31Å; L866-T868 HydrophobicContact CG-CG2 4.2Å |
| 867 | L | 77.6 | Confident | 76.6 | Confident | 45 Ų | 45 | 42.6 Ų | 42.6 | 24% | 0.236 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 134.2 | 169.8 | -57.1 | -174.7 | 0 | 0 | 0 | 109.7 | W854 M855 M865 F869 | W854-L867 CarbonylContact C-O 3.57Å; W854-L867 WeakPolarHBondContact CA-O 3.42Å; W854-L867 WeakPolarHBondContact CB-O 3.14Å; M855-L867 HydrophobicContact CE-CD1 3.74Å; M855-L867 PolarHBondContact N-O 2.92Å; M855-L867 PolarHBondContact O-N 3.25Å; M865-L867 HydrophobicContact CE-CD1 4.2Å; M865-L867 HydrophobicContact CE-CG 4.18Å; L867-F869 HydrophobicContact CB-CE2 4.02Å; L867-F869 HydrophobicContact CB-CZ 4Å; L867-F869 HydrophobicContact CD1-CZ 4.37Å |
| 868 | T | 76.6 | Confident | 75.1 | Confident | 7 Ų | 7 | 42.8 Ų | 42.8 | 4% | 0.043 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.2 | 175.9 | 58.4 | 0 | 0 | 0 | 0 | 109.7 | R522 W587 E588 W854 L866 | R522-T868 PolarHBondContact NH1-OG1 2.84Å; R522-T868 PolarHBondContact NH2-OG1 3.3Å; W587-T868 HydrophobicContact CH2-CG2 4.44Å; W587-T868 HydrophobicContact CZ3-CG2 3.89Å; E588-T868 HydrophobicContact CG-CG2 4.21Å; E588-T868 WeakPolarHBondContact CG-OG1 3.44Å; W854-T868 HydrophobicContact CB-CG2 4.23Å; L866-T868 HydrophobicContact CD2-CG2 4.31Å; L866-T868 HydrophobicContact CG-CG2 4.2Å |
| 869 | F | 70.2 | Confident | 73.3 | Confident | 57 Ų | 57 | 48.1 Ų | 48.1 | 25% | 0.25 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 119.9 | -178.8 | -49.8 | -88.1 | 0 | 0 | 0 | 108 | A853 M855 L867 L874 L877 | A853-F869 HydrophobicContact CB-CB 4.34Å; A853-F869 HydrophobicContact CB-CD2 4.43Å; A853-F869 PolarHBondContact N-O 2.89Å; A853-F869 PolarHBondContact O-N 2.64Å; M855-F869 HydrophobicContact CB-CE2 4.46Å; L867-F869 HydrophobicContact CB-CE2 4.02Å; L867-F869 HydrophobicContact CB-CZ 4Å; L867-F869 HydrophobicContact CD1-CZ 4.37Å; F869-L874 HydrophobicContact CB-CD1 4.3Å; F869-L874 HydrophobicContact CB-CD2 3.88Å; F869-L874 HydrophobicContact CB-CG 3.89Å; F869-L874 HydrophobicContact CG-CD2 4.43Å; F869-L877 HydrophobicContact CD1-CD1 4.31Å |
| 870 | N | 70.9 | Confident | 71.5 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 24% | 0.235 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 169.7 | 170.8 | 66.3 | -7.4 | 0 | 0 | 0 | 110.3 | T851 D872 R873 L874 | T851-N870 CarbonylContact O-C 3.59Å; N870-D872 VanDerWaalsContact C-N 3.29Å; N870-D872 PolarHBondContact O-N 2.78Å; N870-R873 PolarHBondContact O-N 3.03Å; N870-R873 WeakPolarHBondContact OD1-CB 3.34Å; N870-R873 WeakPolarHBondContact OD1-CG 3.28Å; N870-R873 PolarHBondContact OD1-N 3.49Å; N870-L874 WeakPolarHBondContact O-CG 3.22Å; N870-L874 PolarHBondContact O-N 2.98Å |
| 871 | E | 68.9 | Low | 69.6 | Low | 37 Ų | 37 | 52.9 Ų | 52.9 | 17% | 0.173 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.1 | -42 | -178.4 | -166.6 | 176.7 | 145.8 | 0 | 0 | 112.2 | I799 Q850 T851 L874 K875 | I799-E871 HydrophobicContact CD1-CG 4.38Å; Q850-E871 VanDerWaalsContact CA-OE2 3.28Å; Q850-E871 WeakPolarHBondContact CA-OE2 3.23Å; Q850-E871 HydrophobicContact CB-CB 4.5Å; T851-E871 PolarHBondContact N-OE2 3.11Å; T851-E871 PolarHBondContact O-N 3.25Å; E871-L874 PolarHBondContact O-N 3.3Å; E871-K875 HydrophobicContact CG-CD 4.1Å; E871-K875 HydrophobicContact CG-CG 4.44Å; E871-K875 WeakPolarHBondContact O-CB 3.17Å; E871-K875 WeakPolarHBondContact O-CG 3.39Å; E871-K875 PolarHBondContact O-N 2.87Å; E871-K875 VanDerWaalsContact OE1-CE 3.29Å; E871-K875 WeakPolarHBondContact OE1-CE 3.22Å; E871-K875 IonicContact OE1-NZ 3.8Å; E871-K875 PolarHBondContact OE1-NZ 2.94Å |
| 872 | D | 70.7 | Confident | 67.4 | Low | 85 Ų | 85 | 60.3 Ų | 60.3 | 46% | 0.455 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 178.4 | -61.2 | -37 | 0 | 0 | 0 | 112.3 | N870 K875 Q876 | N870-D872 VanDerWaalsContact C-N 3.29Å; N870-D872 PolarHBondContact O-N 2.78Å; D872-K875 PolarHBondContact O-N 2.82Å; D872-Q876 WeakPolarHBondContact O-CB 3.38Å; D872-Q876 VanDerWaalsContact O-CG 3.23Å; D872-Q876 WeakPolarHBondContact O-CG 3.48Å; D872-Q876 PolarHBondContact O-N 3.39Å |
| 873 | R | 65.8 | Low | 64.8 | Low | 118 Ų | 118 | 62.7 Ų | 62.7 | 45% | 0.445 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 173.2 | -87.6 | -172.2 | 168.3 | 173.8 | 0.9 | 111.5 | N870 Q876 L877 | N870-R873 PolarHBondContact O-N 3.03Å; N870-R873 WeakPolarHBondContact OD1-CB 3.34Å; N870-R873 WeakPolarHBondContact OD1-CG 3.28Å; N870-R873 PolarHBondContact OD1-N 3.49Å; R873-Q876 PolarHBondContact O-N 3.36Å; R873-L877 VanDerWaalsContact O-CB 3.22Å; R873-L877 WeakPolarHBondContact O-CB 3.4Å; R873-L877 WeakPolarHBondContact O-CD1 3.18Å; R873-L877 WeakPolarHBondContact O-CG 3.21Å; R873-L877 PolarHBondContact O-N 3.16Å |
| 874 | L | 62.5 | Low | 62 | Low | 32 Ų | 32 | 67.3 Ų | 67.3 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 177.3 | -71.8 | 168.2 | 0 | 0 | 0 | 110.8 | I799 T851 A853 F869 N870 E871 L877 T878 | I799-L874 HydrophobicContact CD1-CB 3.87Å; I799-L874 HydrophobicContact CD1-CD1 3.58Å; I799-L874 HydrophobicContact CD1-CG 4.35Å; T851-L874 HydrophobicContact CG2-CD1 4.22Å; A853-L874 HydrophobicContact CB-CD1 4.16Å; F869-L874 HydrophobicContact CB-CD1 4.3Å; F869-L874 HydrophobicContact CB-CD2 3.88Å; F869-L874 HydrophobicContact CB-CG 3.89Å; F869-L874 HydrophobicContact CG-CD2 4.43Å; N870-L874 WeakPolarHBondContact O-CG 3.22Å; N870-L874 PolarHBondContact O-N 2.98Å; E871-L874 PolarHBondContact O-N 3.3Å; L874-L877 CarbonylContact O-C 3.54Å; L874-L877 PolarHBondContact O-N 3.13Å; L874-T878 WeakPolarHBondContact O-CG2 3.39Å; L874-T878 PolarHBondContact O-N 3.23Å; L874-T878 PolarHBondContact O-OG1 3.45Å; L874-T878 VanDerWaalsContact O-OG1 3.09Å |
| 875 | K | 64.3 | Low | 59.7 | Low | 44 Ų | 44 | 69.4 Ų | 69.4 | 19% | 0.191 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.9 | -43.2 | 174.3 | -77.3 | 179.1 | 172.5 | 175 | 0 | 111.8 | E802 E871 D872 L877 T878 Q879 | E802-K875 IonicContact OE1-NZ 3.87Å; E802-K875 WeakPolarHBondContact OE2-CE 3.15Å; E802-K875 IonicContact OE2-NZ 2.68Å; E802-K875 PolarHBondContact OE2-NZ 3.22Å; E871-K875 HydrophobicContact CG-CD 4.1Å; E871-K875 HydrophobicContact CG-CG 4.44Å; E871-K875 WeakPolarHBondContact O-CB 3.17Å; E871-K875 WeakPolarHBondContact O-CG 3.39Å; E871-K875 PolarHBondContact O-N 2.87Å; E871-K875 VanDerWaalsContact OE1-CE 3.29Å; E871-K875 WeakPolarHBondContact OE1-CE 3.22Å; E871-K875 IonicContact OE1-NZ 3.8Å; E871-K875 PolarHBondContact OE1-NZ 2.94Å; D872-K875 PolarHBondContact O-N 2.82Å; K875-L877 VanDerWaalsContact C-N 3.33Å; K875-L877 PolarHBondContact O-N 3.03Å; K875-T878 WeakPolarHBondContact CA-OG1 3.11Å; K875-T878 PolarHBondContact O-N 3.46Å; K875-T878 VanDerWaalsContact O-N 3.11Å; K875-T878 PolarHBondContact O-OG1 2.85Å; K875-T878 VanDerWaalsContact O-OG1 3.06Å; K875-Q879 WeakPolarHBondContact O-CB 3.44Å; K875-Q879 VanDerWaalsContact O-CG 3.3Å; K875-Q879 WeakPolarHBondContact O-CG 3.23Å; K875-Q879 PolarHBondContact O-N 3.3Å |
| 876 | Q | 62.4 | Low | 57.4 | Low | 108 Ų | 108 | 69.4 Ų | 69.4 | 51% | 0.505 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 173 | -76.4 | 174.3 | 3.1 | 0 | 0 | 111.1 | D872 R873 T878 Q880 | D872-Q876 WeakPolarHBondContact O-CB 3.38Å; D872-Q876 VanDerWaalsContact O-CG 3.23Å; D872-Q876 WeakPolarHBondContact O-CG 3.48Å; D872-Q876 PolarHBondContact O-N 3.39Å; R873-Q876 PolarHBondContact O-N 3.36Å; Q876-T878 PolarHBondContact O-N 2.99Å; Q876-Q880 WeakPolarHBondContact O-CB 2.83Å; Q876-Q880 WeakPolarHBondContact O-CG 3.43Å; Q876-Q880 PolarHBondContact O-N 3.38Å |
| 877 | L | 53.8 | Low | 54.9 | Low | 87 Ų | 87 | 75.3 Ų | 75.3 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.6 | -13.3 | 175.1 | -73.5 | 169.9 | 0 | 0 | 0 | 113.5 | F869 R873 L874 K875 N881 | F869-L877 HydrophobicContact CD1-CD1 4.31Å; R873-L877 VanDerWaalsContact O-CB 3.22Å; R873-L877 WeakPolarHBondContact O-CB 3.4Å; R873-L877 WeakPolarHBondContact O-CD1 3.18Å; R873-L877 WeakPolarHBondContact O-CG 3.21Å; R873-L877 PolarHBondContact O-N 3.16Å; L874-L877 CarbonylContact O-C 3.54Å; L874-L877 PolarHBondContact O-N 3.13Å; K875-L877 VanDerWaalsContact C-N 3.33Å; K875-L877 PolarHBondContact O-N 3.03Å; L877-N881 WeakPolarHBondContact O-CB 2.87Å; L877-N881 VanDerWaalsContact O-CG 3.29Å; L877-N881 PolarHBondContact O-ND2 3.32Å |
| 878 | T | 51.8 | Low | 52.6 | Low | 49 Ų | 49 | 76.2 Ų | 76.2 | 30% | 0.301 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -105.6 | -37.8 | 175.4 | 53.3 | 0 | 0 | 0 | 0 | 112.3 | L803 L874 K875 Q876 N881 | L803-T878 HydrophobicContact CD1-CG2 3.95Å; L874-T878 WeakPolarHBondContact O-CG2 3.39Å; L874-T878 PolarHBondContact O-N 3.23Å; L874-T878 PolarHBondContact O-OG1 3.45Å; L874-T878 VanDerWaalsContact O-OG1 3.09Å; K875-T878 WeakPolarHBondContact CA-OG1 3.11Å; K875-T878 PolarHBondContact O-N 3.46Å; K875-T878 VanDerWaalsContact O-N 3.11Å; K875-T878 PolarHBondContact O-OG1 2.85Å; K875-T878 VanDerWaalsContact O-OG1 3.06Å; Q876-T878 PolarHBondContact O-N 2.99Å; T878-N881 CarbonylContact O-C 3.45Å; T878-N881 PolarHBondContact O-N 3.44Å |
| 879 | Q | 52.4 | Low | 50.4 | Low | 116 Ų | 116 | 78.4 Ų | 78.4 | 54% | 0.542 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -74.5 | -36.4 | 177.7 | -69.4 | 178.4 | -9.9 | 0 | 0 | 113 | K875 N881 | K875-Q879 WeakPolarHBondContact O-CB 3.44Å; K875-Q879 VanDerWaalsContact O-CG 3.3Å; K875-Q879 WeakPolarHBondContact O-CG 3.23Å; K875-Q879 PolarHBondContact O-N 3.3Å; Q879-N881 PolarHBondContact O-N 3.4Å |
| 880 | Q | 46.6 | Very low | 48.6 | Very low | 119 Ų | 119 | 80.7 Ų | 80.7 | 56% | 0.556 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -9.5 | 171.3 | -66.5 | -171.1 | -21.5 | 0 | 0 | 112.7 | Q876 | Q876-Q880 WeakPolarHBondContact O-CB 2.83Å; Q876-Q880 WeakPolarHBondContact O-CG 3.43Å; Q876-Q880 PolarHBondContact O-N 3.38Å |
| 881 | N | 44.5 | Very low | 46.9 | Very low | 33 Ų | 33 | 81.4 Ų | 81.4 | 18% | 0.176 | 43% | 0.425 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 45.5 | -173 | -73.2 | -28.9 | 0 | 0 | 0 | 111.8 | L877 T878 Q879 G883 S886 | L877-N881 WeakPolarHBondContact O-CB 2.87Å; L877-N881 VanDerWaalsContact O-CG 3.29Å; L877-N881 PolarHBondContact O-ND2 3.32Å; T878-N881 CarbonylContact O-C 3.45Å; T878-N881 PolarHBondContact O-N 3.44Å; Q879-N881 PolarHBondContact O-N 3.4Å; N881-G883 VanDerWaalsContact C-N 3.29Å; N881-G883 PolarHBondContact O-N 2.96Å; N881-S886 WeakPolarHBondContact ND2-CB 3.33Å; N881-S886 WeakPolarHBondContact OD1-CA 3.37Å |
| 882 | R | 40.5 | Very low | 45.1 | Very low | 177 Ų | 177 | 81.6 Ų | 81.6 | 67% | 0.668 | 43% | 0.433 | S | S | * | . | trans | -71.2 | 80 | 176.1 | -78.7 | -178.6 | 170.1 | 175.5 | -2.5 | 111 | ||||
| 883 | G | 37.5 | Very low | 43.6 | Very low | 50 Ų | 50 | 83.5 Ų | 83.5 | 52% | 0.515 | 44% | 0.437 | S | S | . | . | S | Bend | trans | 113.6 | 98.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114 | N881 E885 | N881-G883 VanDerWaalsContact C-N 3.29Å; N881-G883 PolarHBondContact O-N 2.96Å; G883-E885 WeakPolarHBondContact O-CB 3.36Å; G883-E885 VanDerWaalsContact O-CG 3.3Å; G883-E885 WeakPolarHBondContact O-CG 3.39Å; G883-E885 PolarHBondContact O-N 2.73Å |
| 884 | A | 31.3 | Very low | 42.2 | Very low | 99 Ų | 99 | 83.3 Ų | 83.3 | 82% | 0.818 | 44% | 0.443 | S | S | * | . | S | Bend | trans | 50.1 | -4.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 885 | E | 36.8 | Very low | 41.1 | Very low | 87 Ų | 87 | 82.3 Ų | 82.3 | 41% | 0.407 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -86.2 | -15.2 | -168.6 | -84.1 | 179 | 167.2 | 0 | 0 | 111.2 | G883 L887 L888 L889 | G883-E885 WeakPolarHBondContact O-CB 3.36Å; G883-E885 VanDerWaalsContact O-CG 3.3Å; G883-E885 WeakPolarHBondContact O-CG 3.39Å; G883-E885 PolarHBondContact O-N 2.73Å; E885-L887 VanDerWaalsContact C-N 3.35Å; E885-L887 PolarHBondContact O-N 3.3Å; E885-L888 CarbonylContact O-C 3.48Å; E885-L888 PolarHBondContact O-N 3.11Å; E885-L888 VanDerWaalsContact O-N 3.09Å; E885-L889 HydrophobicContact CB-CB 4.31Å; E885-L889 HydrophobicContact CB-CD1 4.16Å; E885-L889 WeakPolarHBondContact O-CA 2.92Å; E885-L889 WeakPolarHBondContact O-CB 3.47Å; E885-L889 PolarHBondContact O-N 2.98Å |
| 886 | S | 37 | Very low | 40.1 | Very low | 61 Ų | 61 | 83.8 Ų | 83.8 | 43% | 0.427 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.8 | -38.4 | -173.1 | 61.6 | 0 | 0 | 0 | 0 | 115 | N881 L890 | N881-S886 WeakPolarHBondContact ND2-CB 3.33Å; N881-S886 WeakPolarHBondContact OD1-CA 3.37Å; S886-L890 VanDerWaalsContact O-CB 3.24Å; S886-L890 WeakPolarHBondContact O-CB 3.35Å; S886-L890 PolarHBondContact O-N 3.32Å |
| 887 | L | 29.9 | Very low | 39.2 | Very low | 127 Ų | 127 | 84.7 Ų | 84.7 | 67% | 0.665 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -77.1 | -41.7 | 175 | -153.1 | 90.4 | 0 | 0 | 0 | 110.8 | E885 L889 L890 I891 | E885-L887 VanDerWaalsContact C-N 3.35Å; E885-L887 PolarHBondContact O-N 3.3Å; L887-L889 VanDerWaalsContact C-N 3.3Å; L887-L889 PolarHBondContact O-N 2.84Å; L887-L890 PolarHBondContact O-N 3.47Å; L887-I891 HydrophobicContact CD2-CD1 4.47Å; L887-I891 WeakPolarHBondContact O-CB 3.33Å; L887-I891 WeakPolarHBondContact O-CD1 3.33Å; L887-I891 WeakPolarHBondContact O-CG1 3.24Å; L887-I891 PolarHBondContact O-N 3.46Å |
| 888 | L | 29.2 | Very low | 38.8 | Very low | 64 Ų | 64 | 90.2 Ų | 90.2 | 34% | 0.335 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.1 | -27.9 | 178 | -96.9 | 158.1 | 0 | 0 | 0 | 113.3 | E885 I891 A892 L1005 | E885-L888 CarbonylContact O-C 3.48Å; E885-L888 PolarHBondContact O-N 3.11Å; E885-L888 VanDerWaalsContact O-N 3.09Å; L888-I891 CarbonylContact O-C 3.51Å; L888-A892 WeakPolarHBondContact O-CA 3.33Å; L888-A892 WeakPolarHBondContact O-CB 3.45Å; L888-A892 PolarHBondContact O-N 2.79Å; L888-L1005 HydrophobicContact CD1-CD2 4.36Å |
| 889 | L | 32 | Very low | 38.9 | Very low | 52 Ų | 52 | 95.9 Ų | 95.9 | 27% | 0.272 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -96.5 | -22.7 | -176.8 | -156.4 | 143.2 | 0 | 0 | 0 | 110.2 | E885 L887 K893 | E885-L889 HydrophobicContact CB-CB 4.31Å; E885-L889 HydrophobicContact CB-CD1 4.16Å; E885-L889 WeakPolarHBondContact O-CA 2.92Å; E885-L889 WeakPolarHBondContact O-CB 3.47Å; E885-L889 PolarHBondContact O-N 2.98Å; L887-L889 VanDerWaalsContact C-N 3.3Å; L887-L889 PolarHBondContact O-N 2.84Å; L889-K893 HydrophobicContact CD2-CD 4.43Å; L889-K893 WeakPolarHBondContact O-CB 3.07Å; L889-K893 WeakPolarHBondContact O-CG 3.17Å; L889-K893 PolarHBondContact O-N 2.86Å |
| 890 | L | 32 | Very low | 38.9 | Very low | 106 Ų | 106 | 91 Ų | 91 | 56% | 0.555 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.5 | -43.4 | 156.9 | -161 | 85.8 | 0 | 0 | 0 | 110.3 | S886 L887 K893 M894 | S886-L890 VanDerWaalsContact O-CB 3.24Å; S886-L890 WeakPolarHBondContact O-CB 3.35Å; S886-L890 PolarHBondContact O-N 3.32Å; L887-L890 PolarHBondContact O-N 3.47Å; L890-K893 PolarHBondContact O-N 2.75Å; L890-M894 WeakPolarHBondContact O-CB 3.26Å; L890-M894 VanDerWaalsContact O-CG 3.27Å; L890-M894 WeakPolarHBondContact O-CG 3.44Å; L890-M894 PolarHBondContact O-N 2.97Å |
| 891 | I | 34.8 | Very low | 39.7 | Very low | 58 Ų | 58 | 89.8 Ų | 89.8 | 30% | 0.297 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 171.9 | -68.6 | 162.6 | 0 | 0 | 0 | 110.5 | L887 L888 M894 A895 I953 | L887-I891 HydrophobicContact CD2-CD1 4.47Å; L887-I891 WeakPolarHBondContact O-CB 3.33Å; L887-I891 WeakPolarHBondContact O-CD1 3.33Å; L887-I891 WeakPolarHBondContact O-CG1 3.24Å; L887-I891 PolarHBondContact O-N 3.46Å; L888-I891 CarbonylContact O-C 3.51Å; I891-M894 HydrophobicContact CG1-CE 4.19Å; I891-M894 WeakPolarHBondContact O-CB 3.26Å; I891-M894 PolarHBondContact O-N 2.81Å; I891-A895 VanDerWaalsContact O-CB 3.31Å; I891-A895 WeakPolarHBondContact O-CB 3.31Å; I891-A895 PolarHBondContact O-N 3.18Å; I891-I953 HydrophobicContact CG2-CD1 4.29Å |
| 892 | A | 31.9 | Very low | 40.6 | Very low | 42 Ų | 42 | 91.5 Ų | 91.5 | 35% | 0.347 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.7 | -32.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L888 A895 S896 | L888-A892 WeakPolarHBondContact O-CA 3.33Å; L888-A892 WeakPolarHBondContact O-CB 3.45Å; L888-A892 PolarHBondContact O-N 2.79Å; A892-A895 CarbonylContact O-C 3.59Å; A892-A895 VanDerWaalsContact O-C 3.24Å; A892-A895 WeakPolarHBondContact O-CA 3.35Å; A892-A895 PolarHBondContact O-N 2.85Å; A892-A895 VanDerWaalsContact O-N 3.14Å; A892-S896 WeakPolarHBondContact O-CA 3.34Å; A892-S896 WeakPolarHBondContact O-CB 3.14Å; A892-S896 PolarHBondContact O-N 2.87Å |
| 893 | K | 39.2 | Very low | 42 | Very low | 124 Ų | 124 | 85.8 Ų | 85.8 | 54% | 0.539 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.3 | -34.3 | 169.7 | -89.7 | 179.2 | 173.9 | 170.4 | 0 | 112 | L889 L890 A895 S896 | L889-K893 HydrophobicContact CD2-CD 4.43Å; L889-K893 WeakPolarHBondContact O-CB 3.07Å; L889-K893 WeakPolarHBondContact O-CG 3.17Å; L889-K893 PolarHBondContact O-N 2.86Å; L890-K893 PolarHBondContact O-N 2.75Å; K893-A895 PolarHBondContact O-N 3.48Å; K893-S896 PolarHBondContact O-OG 3.08Å |
| 894 | M | 35.9 | Very low | 43.7 | Very low | 115 Ų | 115 | 86.9 Ų | 86.9 | 57% | 0.567 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.4 | -27 | 168.4 | -74.2 | -171 | -67.2 | 0 | 0 | 111.5 | L890 I891 | L890-M894 WeakPolarHBondContact O-CB 3.26Å; L890-M894 VanDerWaalsContact O-CG 3.27Å; L890-M894 WeakPolarHBondContact O-CG 3.44Å; L890-M894 PolarHBondContact O-N 2.97Å; I891-M894 HydrophobicContact CG1-CE 4.19Å; I891-M894 WeakPolarHBondContact O-CB 3.26Å; I891-M894 PolarHBondContact O-N 2.81Å |
| 895 | A | 39.7 | Very low | 46.1 | Very low | 10 Ų | 10 | 82.4 Ų | 82.4 | 8% | 0.083 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -102.1 | -1.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I891 A892 K893 N897 A941 I943 | I891-A895 VanDerWaalsContact O-CB 3.31Å; I891-A895 WeakPolarHBondContact O-CB 3.31Å; I891-A895 PolarHBondContact O-N 3.18Å; A892-A895 CarbonylContact O-C 3.59Å; A892-A895 VanDerWaalsContact O-C 3.24Å; A892-A895 WeakPolarHBondContact O-CA 3.35Å; A892-A895 PolarHBondContact O-N 2.85Å; A892-A895 VanDerWaalsContact O-N 3.14Å; K893-A895 PolarHBondContact O-N 3.48Å; A895-N897 VanDerWaalsContact C-N 3.28Å; A895-N897 PolarHBondContact O-N 2.86Å; A895-A941 HydrophobicContact CB-CB 4.01Å; A895-I943 HydrophobicContact CB-CD1 3.56Å; A895-I943 HydrophobicContact CB-CG1 4.01Å; A895-I943 VanDerWaalsContact O-CD1 3.26Å; A895-I943 WeakPolarHBondContact O-CD1 3.24Å |
| 896 | S | 42.1 | Very low | 48.5 | Very low | 75 Ų | 75 | 80 Ų | 80 | 52% | 0.524 | 43% | 0.427 | S | S | . | . | trans | -81.9 | -5.4 | -175.2 | 69.1 | 0 | 0 | 0 | 0 | 113.5 | A892 K893 R898 | A892-S896 WeakPolarHBondContact O-CA 3.34Å; A892-S896 WeakPolarHBondContact O-CB 3.14Å; A892-S896 PolarHBondContact O-N 2.87Å; K893-S896 PolarHBondContact O-OG 3.08Å; S896-R898 PolarHBondContact O-N 2.9Å | ||
| 897 | N | 43.9 | Very low | 51.1 | Low | 127 Ų | 127 | 77.2 Ų | 77.2 | 68% | 0.679 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -75.3 | 107 | 158.3 | -81.9 | -8.9 | 0 | 0 | 0 | 107.5 | A895 Q899 G900 | A895-N897 VanDerWaalsContact C-N 3.28Å; A895-N897 PolarHBondContact O-N 2.86Å; N897-Q899 CarbonylContact O-C 3.51Å; N897-Q899 PolarHBondContact O-N 2.79Å; N897-Q899 VanDerWaalsContact O-N 3.15Å; N897-G900 PolarHBondContact O-N 2.74Å |
| 898 | R | 46.3 | Very low | 54 | Low | 203 Ų | 203 | 72.7 Ų | 72.7 | 77% | 0.766 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -38.5 | 118 | 176.5 | -66.2 | 176 | -178.5 | 179 | 1.6 | 110.1 | S896 | S896-R898 PolarHBondContact O-N 2.9Š|
| 899 | Q | 52.8 | Low | 56.8 | Low | 169 Ų | 169 | 70.2 Ų | 70.2 | 79% | 0.79 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 68.5 | -171.8 | -78.1 | 176.6 | -24.1 | 0 | 0 | 112.3 | N897 S901 | N897-Q899 CarbonylContact O-C 3.51Å; N897-Q899 PolarHBondContact O-N 2.79Å; N897-Q899 VanDerWaalsContact O-N 3.15Å; Q899-S901 PolarHBondContact O-N 2.87Å |
| 900 | G | 53.8 | Low | 59.3 | Low | 14 Ų | 14 | 70.6 Ų | 70.6 | 14% | 0.144 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 108 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | N897 A941 | N897-G900 PolarHBondContact O-N 2.74Å; G900-A941 PolarHBondContact N-O 2.8Å; G900-A941 PolarHBondContact O-N 3.43Å |
| 901 | S | 63.4 | Low | 61.6 | Low | 92 Ų | 92 | 67.6 Ų | 67.6 | 64% | 0.643 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 119.7 | 158.1 | 56.9 | 0 | 0 | 0 | 0 | 108.8 | Q899 G939 | Q899-S901 PolarHBondContact O-N 2.87Å; S901-G939 CarbonylContact C-O 3.56Å; S901-G939 VanDerWaalsContact CA-O 3.31Å; S901-G939 WeakPolarHBondContact CA-O 3.29Å |
| 902 | I | 63.2 | Low | 64.1 | Low | 69 Ų | 69 | 65.1 Ų | 65.1 | 35% | 0.354 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 121.1 | 169.4 | -59.5 | 171.6 | 0 | 0 | 0 | 106.4 | I904 H938 G939 | I902-I904 HydrophobicContact CG2-CD1 3.98Å; I902-I904 HydrophobicContact CG2-CG1 4.05Å; I902-H938 CarbonylContact O-C 3.55Å; I902-H938 VanDerWaalsContact O-CA 3.23Å; I902-H938 WeakPolarHBondContact O-CA 3.43Å; I902-G939 PolarHBondContact N-O 2.84Å; I902-G939 PolarHBondContact O-N 2.84Å |
| 903 | S | 69.3 | Low | 66.5 | Low | 57 Ų | 57 | 63.2 Ų | 63.2 | 40% | 0.399 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 103.1 | 172.1 | -171.5 | 0 | 0 | 0 | 0 | 108.8 | A937 H938 | S903-A937 WeakPolarHBondContact CA-O 3.46Å; S903-H938 PolarHBondContact OG-CE1 2.79Å; S903-H938 PolarHBondContact OG-ND1 2.81Å |
| 904 | I | 73.6 | Confident | 68.7 | Low | 74 Ų | 74 | 57.3 Ų | 57.3 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 118.1 | 179.8 | -59.6 | 172.3 | 0 | 0 | 0 | 107.2 | I902 E906 F935 S936 A937 | I902-I904 HydrophobicContact CG2-CD1 3.98Å; I902-I904 HydrophobicContact CG2-CG1 4.05Å; I904-E906 HydrophobicContact CG2-CG 4.04Å; I904-F935 HydrophobicContact CG2-CD1 4.39Å; I904-F935 HydrophobicContact CG2-CE1 4.24Å; I904-S936 CarbonylContact O-C 3.53Å; I904-S936 WeakPolarHBondContact O-CA 3.41Å; I904-A937 HydrophobicContact CB-CB 4.31Å; I904-A937 PolarHBondContact N-O 2.83Å; I904-A937 PolarHBondContact O-N 2.73Å |
| 905 | D | 82.2 | Confident | 71 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 117.8 | 169.6 | -73.3 | -51.8 | 0 | 0 | 0 | 108.5 | M399 I453 K483 S936 H938 | M399-D905 HydrophobicContact CE-CB 4.13Å; M399-D905 WeakPolarHBondContact CE-OD1 3.21Å; I453-D905 HydrophobicContact CG1-CB 4.29Å; K483-D905 PolarHBondContact NZ-O 3.43Å; K483-D905 VanDerWaalsContact NZ-O 3.12Å; D905-S936 VanDerWaalsContact OD1-CB 3.24Å; D905-S936 WeakPolarHBondContact OD1-CB 3.43Å; D905-S936 PolarHBondContact OD1-OG 3.38Å; D905-H938 IonicContact OD1-CE1 3.68Å; D905-H938 PolarHBondContact OD1-CE1 2.79Å; D905-H938 IonicContact OD1-NE2 2.76Å; D905-H938 PolarHBondContact OD1-NE2 2.8Å; D905-H938 IonicContact OD2-CE1 3.9Å; D905-H938 PolarHBondContact OD2-CE1 2.98Å; D905-H938 IonicContact OD2-NE2 3.82Å |
| 906 | E | 86.6 | Confident | 73.3 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134.2 | 176.6 | -66.3 | -58.4 | 155.9 | 0 | 0 | 110 | N456 K483 I904 I934 F935 | N456-E906 PolarHBondContact ND2-OE2 2.87Å; K483-E906 WeakPolarHBondContact CD-OE1 3.44Å; K483-E906 WeakPolarHBondContact CE-OE1 3.23Å; K483-E906 IonicContact NZ-OE1 3.78Å; K483-E906 PolarHBondContact NZ-OE1 2.97Å; K483-E906 IonicContact NZ-OE2 3Å; K483-E906 PolarHBondContact NZ-OE2 3.23Å; I904-E906 HydrophobicContact CG2-CG 4.04Å; E906-I934 CarbonylContact O-C 3.5Å; E906-I934 WeakPolarHBondContact O-CA 3.27Å; E906-F935 HydrophobicContact CB-CB 4.43Å; E906-F935 PolarHBondContact N-O 3Å; E906-F935 PolarHBondContact O-N 3.11Å |
| 907 | A | 90.8 | Very high | 75.6 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 138 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | F411 N456 A933 I934 | F411-A907 HydrophobicContact CD1-CB 4.45Å; F411-A907 HydrophobicContact CD2-CB 3.59Å; F411-A907 HydrophobicContact CE1-CB 4.21Å; F411-A907 HydrophobicContact CE2-CB 3.3Å; F411-A907 HydrophobicContact CG-CB 4.16Å; F411-A907 HydrophobicContact CZ-CB 3.63Å; N456-A907 HydrophobicContact CB-CB 4.44Å; N456-A907 WeakPolarHBondContact CB-O 3.42Å; N456-A907 PolarHBondContact ND2-N 3.22Å; N456-A907 VanDerWaalsContact ND2-N 3.18Å; N456-A907 PolarHBondContact ND2-O 2.95Å; A907-A933 CarbonylContact C-O 3.5Å; A907-A933 WeakPolarHBondContact CA-O 3.32Å; A907-I934 HydrophobicContact CB-CG1 3.9Å |
| 908 | T | 91 | Very high | 77.9 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 20% | 0.202 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 158.9 | -178.1 | -170.2 | 0 | 0 | 0 | 0 | 111.7 | L910 P932 A933 | T908-L910 HydrophobicContact CG2-CD2 3.8Å; T908-L910 HydrophobicContact CG2-CG 4.37Å; T908-P932 WeakPolarHBondContact O-CA 3.21Å; T908-A933 HydrophobicContact CG2-CB 4.43Å; T908-A933 PolarHBondContact N-O 3.13Å; T908-A933 PolarHBondContact O-N 3.24Å |
| 909 | L | 89.4 | Confident | 80.1 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 6% | 0.058 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 98.5 | 173 | -167.5 | 58.8 | 0 | 0 | 0 | 108.8 | Y412 R911 E912 K930 P932 | Y412-L909 HydrophobicContact CD2-CD1 4.03Å; Y412-L909 HydrophobicContact CD2-CD2 4.42Å; Y412-L909 HydrophobicContact CE2-CD1 4.33Å; Y412-L909 HydrophobicContact CE2-CD2 4.19Å; L909-R911 PolarHBondContact O-N 3.24Å; L909-R911 VanDerWaalsContact O-N 3.17Å; L909-E912 HydrophobicContact CD2-CB 3.59Å; L909-E912 HydrophobicContact CD2-CG 4.26Å; L909-E912 WeakPolarHBondContact CD2-OE2 3.14Å; L909-E912 HydrophobicContact CG-CB 4.09Å; L909-K930 HydrophobicContact CD1-CB 4.17Å; L909-P932 HydrophobicContact CD1-CB 4.36Å |
| 910 | L | 83.1 | Confident | 82.1 | Confident | 60 Ų | 60 | 25.4 Ų | 25.4 | 31% | 0.314 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | -21.6 | -176.7 | -62.2 | 177 | 0 | 0 | 0 | 113.5 | T908 A931 A933 I961 | T908-L910 HydrophobicContact CG2-CD2 3.8Å; T908-L910 HydrophobicContact CG2-CG 4.37Å; L910-A931 HydrophobicContact CB-CB 4.2Å; L910-A931 PolarHBondContact N-O 3.19Å; L910-A933 HydrophobicContact CD1-CB 3.75Å; L910-A933 HydrophobicContact CG-CB 3.86Å; L910-I961 HydrophobicContact CD1-CD1 4.06Å; L910-I961 HydrophobicContact CD1-CG1 4.36Å; L910-I961 HydrophobicContact CD1-CG2 4.01Å |
| 911 | R | 80.7 | Confident | 84 | Confident | 44 Ų | 44 | 25.3 Ų | 25.3 | 17% | 0.166 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 138.6 | 176.6 | -175.9 | 176.8 | 179.1 | 172 | 4 | 109.2 | E778 E781 L909 T913 K930 A931 | E778-R911 IonicContact OE2-NH1 3.68Å; E781-R911 IonicContact OE2-NH2 2.79Å; L909-R911 PolarHBondContact O-N 3.24Å; L909-R911 VanDerWaalsContact O-N 3.17Å; R911-T913 HydrophobicContact CG-CG2 4.3Å; R911-K930 CarbonylContact O-C 3.5Å; R911-K930 VanDerWaalsContact O-CA 3.29Å; R911-K930 WeakPolarHBondContact O-CA 3.22Å; R911-A931 HydrophobicContact CB-CB 4.21Å; R911-A931 PolarHBondContact O-N 3.35Å |
| 912 | E | 86.5 | Confident | 85.3 | Confident | 5 Ų | 5 | 21 Ų | 21 | 2% | 0.023 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 124.3 | 160.1 | -177.3 | 171.2 | -151 | 0 | 0 | 108.3 | N252 Y412 R419 L909 V914 R928 R929 | N252-E912 WeakPolarHBondContact CB-O 3.37Å; N252-E912 PolarHBondContact ND2-O 2.93Å; Y412-E912 PolarHBondContact OH-OE1 3.39Å; R419-E912 IonicContact CZ-OE2 3.73Å; R419-E912 VanDerWaalsContact CZ-OE2 3.25Å; R419-E912 IonicContact NH1-OE1 3.55Å; R419-E912 PolarHBondContact NH1-OE1 3.27Å; R419-E912 IonicContact NH1-OE2 3.82Å; R419-E912 PolarHBondContact NH1-OE2 3.01Å; R419-E912 IonicContact NH2-OE2 3.95Å; R419-E912 PolarHBondContact NH2-OE2 3.06Å; L909-E912 HydrophobicContact CD2-CB 3.59Å; L909-E912 HydrophobicContact CD2-CG 4.26Å; L909-E912 WeakPolarHBondContact CD2-OE2 3.14Å; L909-E912 HydrophobicContact CG-CB 4.09Å; E912-V914 HydrophobicContact CG-CG2 4.34Å; E912-R928 IonicContact OE1-NH1 2.84Å; E912-R928 PolarHBondContact OE1-NH1 3.44Å; E912-R929 CarbonylContact C-O 3.58Å; E912-R929 VanDerWaalsContact CA-O 3.25Å; E912-R929 WeakPolarHBondContact CA-O 3.38Å |
| 913 | T | 83.1 | Confident | 86.8 | Confident | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.012 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.6 | 171 | 58.4 | 0 | 0 | 0 | 0 | 108.9 | F253 R911 R928 R929 | F253-T913 HydrophobicContact CE1-CG2 4.4Å; F253-T913 HydrophobicContact CE2-CG2 4.31Å; F253-T913 HydrophobicContact CZ-CG2 4.23Å; R911-T913 HydrophobicContact CG-CG2 4.3Å; T913-R928 WeakPolarHBondContact O-CA 3.49Å; T913-R929 PolarHBondContact N-O 2.9Å; T913-R929 PolarHBondContact O-N 3.09Å |
| 914 | V | 85.3 | Confident | 87.8 | Confident | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131.6 | -178 | -175.6 | 0 | 0 | 0 | 0 | 109 | W250 W251 E912 K916 R928 | W250-V914 WeakPolarHBondContact CA-O 3.41Å; W251-V914 HydrophobicContact CB-CB 4.22Å; W251-V914 HydrophobicContact CD2-CB 4.23Å; W251-V914 HydrophobicContact CE3-CB 3.66Å; W251-V914 HydrophobicContact CE3-CG1 3.96Å; W251-V914 HydrophobicContact CE3-CG2 3.68Å; W251-V914 HydrophobicContact CG-CB 4.49Å; W251-V914 HydrophobicContact CZ3-CB 4.44Å; W251-V914 HydrophobicContact CZ3-CG1 4.3Å; W251-V914 HydrophobicContact CZ3-CG2 4.31Å; W251-V914 PolarHBondContact N-O 3.28Å; W251-V914 PolarHBondContact O-N 2.86Å; E912-V914 HydrophobicContact CG-CG2 4.34Å; V914-K916 HydrophobicContact CG1-CD 4.42Å; V914-K916 HydrophobicContact CG1-CG 4.08Å; V914-R928 HydrophobicContact CG2-CB 4.49Å; V914-R928 HydrophobicContact CG2-CG 4.16Å |
| 915 | V | 84.8 | Confident | 88.8 | Confident | 11 Ų | 11 | 12.6 Ų | 12.6 | 7% | 0.067 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.3 | 168.2 | -176.1 | 0 | 0 | 0 | 0 | 107.3 | V249 W250 F253 I917 S926 I927 | V249-V915 CarbonylContact O-C 3.57Å; V249-V915 WeakPolarHBondContact O-CA 3.16Å; W250-V915 HydrophobicContact CD2-CG1 4.2Å; W250-V915 HydrophobicContact CD2-CG2 3.91Å; W250-V915 HydrophobicContact CE3-CG2 3.7Å; W250-V915 HydrophobicContact CH2-CG1 4.39Å; W250-V915 HydrophobicContact CH2-CG2 4.06Å; W250-V915 HydrophobicContact CZ2-CG1 3.86Å; W250-V915 HydrophobicContact CZ2-CG2 4.26Å; W250-V915 HydrophobicContact CZ3-CG2 3.76Å; F253-V915 HydrophobicContact CE2-CG2 3.93Å; F253-V915 HydrophobicContact CZ-CG2 3.73Å; V915-I917 HydrophobicContact CG1-CD1 4.11Å; V915-I917 HydrophobicContact CG1-CG1 3.92Å; V915-S926 WeakPolarHBondContact O-CA 3.49Å; V915-I927 HydrophobicContact CB-CB 4.35Å; V915-I927 PolarHBondContact N-O 2.83Å; V915-I927 PolarHBondContact O-N 2.89Å |
| 916 | K | 87.9 | Confident | 89.3 | Confident | 12 Ų | 12 | 12.4 Ų | 12.4 | 5% | 0.052 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.7 | 174 | -67.2 | 163.7 | 160.9 | -176.3 | 0 | 109.1 | E248 V249 D356 V914 Q924 L925 | E248-K916 VanDerWaalsContact CA-O 3.3Å; E248-K916 WeakPolarHBondContact CA-O 3.42Å; V249-K916 HydrophobicContact CB-CB 4.11Å; V249-K916 HydrophobicContact CB-CD 4.14Å; V249-K916 PolarHBondContact N-O 3.41Å; V249-K916 PolarHBondContact O-N 3.09Å; D356-K916 IonicContact OD1-NZ 3.76Å; D356-K916 PolarHBondContact OD1-NZ 3.25Å; D356-K916 WeakPolarHBondContact OD2-CD 3.19Å; D356-K916 IonicContact OD2-NZ 3.62Å; D356-K916 PolarHBondContact OD2-NZ 3.4Å; V914-K916 HydrophobicContact CG1-CD 4.42Å; V914-K916 HydrophobicContact CG1-CG 4.08Å; K916-Q924 HydrophobicContact CB-CG 4Å; K916-Q924 VanDerWaalsContact CE-OE1 3.29Å; K916-Q924 HydrophobicContact CG-CG 4.35Å; K916-L925 CarbonylContact C-O 3.36Å; K916-L925 VanDerWaalsContact CA-O 3.29Å; K916-L925 WeakPolarHBondContact CA-O 3.45Å |
| 917 | I | 89.5 | Confident | 89.4 | Confident | 4 Ų | 4 | 10.8 Ų | 10.8 | 2% | 0.021 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 133.8 | -175.1 | -50.4 | 177.5 | 0 | 0 | 0 | 107.4 | E248 V273 V915 L925 | E248-I917 HydrophobicContact CG-CG1 4.33Å; E248-I917 HydrophobicContact CG-CG2 4.41Å; V273-I917 HydrophobicContact CB-CD1 4.35Å; V273-I917 HydrophobicContact CG1-CD1 3.91Å; V273-I917 HydrophobicContact CG2-CD1 4.36Å; V915-I917 HydrophobicContact CG1-CD1 4.11Å; V915-I917 HydrophobicContact CG1-CG1 3.92Å; I917-L925 HydrophobicContact CB-CB 4.44Å; I917-L925 PolarHBondContact N-O 2.81Å; I917-L925 PolarHBondContact O-N 2.79Å |
| 918 | P | 91.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.006 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 149.6 | 171.2 | 32.7 | -40.7 | 0 | 0 | 0 | 110.5 | E206 P247 Y351 | E206-P918 HydrophobicContact CB-CG 4.47Å; P247-P918 HydrophobicContact CG-CB 4.38Å; P247-P918 HydrophobicContact CG-CG 3.83Å; Y351-P918 HydrophobicContact CD1-CB 4.29Å; Y351-P918 HydrophobicContact CD2-CB 3.96Å; Y351-P918 HydrophobicContact CG-CB 3.71Å |
| 919 | T | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | trans | -106.3 | 156 | 169.6 | 63.6 | 0 | 0 | 0 | 0 | 109.7 | I317 I921 G922 S923 L925 | I317-T919 VanDerWaalsContact CD1-CB 3.46Å; I317-T919 HydrophobicContact CD1-CG2 3.36Å; T919-I921 PolarHBondContact O-N 3.38Å; T919-G922 PolarHBondContact O-N 3.27Å; T919-S923 WeakPolarHBondContact CB-O 3.4Å; T919-S923 WeakPolarHBondContact CG2-O 3.18Å; T919-S923 WeakPolarHBondContact CG2-OG 3.32Å; T919-S923 PolarHBondContact N-O 2.86Å; T919-S923 VanDerWaalsContact OG1-C 3.32Å; T919-S923 WeakPolarHBondContact OG1-CA 3.5Å; T919-S923 WeakPolarHBondContact OG1-CB 3.15Å; T919-S923 PolarHBondContact OG1-N 2.81Å; T919-S923 PolarHBondContact OG1-O 3.36Å; T919-S923 PolarHBondContact OG1-OG 2.87Å; T919-L925 HydrophobicContact CG2-CB 3.95Å | ||
| 920 | A | 93.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -13.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E206 T277 L297 N299 | E206-A920 HydrophobicContact CG-CB 4.46Å; T277-A920 HydrophobicContact CG2-CB 4.14Å; L297-A920 HydrophobicContact CD1-CB 3.76Å; L297-A920 HydrophobicContact CD2-CB 3.68Å; L297-A920 HydrophobicContact CG-CB 4.27Å; N299-A920 HydrophobicContact CB-CB 3.82Å; N299-A920 PolarHBondContact OD1-N 2.82Å |
| 921 | I | 93.9 | Very high | 89.6 | Confident | 13 Ų | 13 | 9.5 Ų | 9.5 | 7% | 0.067 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 5.6 | 175.8 | 65.7 | 164.3 | 0 | 0 | 0 | 113.9 | V56 L297 I317 A319 T919 | V56-I921 HydrophobicContact CG2-CD1 3.41Å; V56-I921 VanDerWaalsContact CG2-CD1 3.41Å; L297-I921 HydrophobicContact CD2-CG2 3.62Å; I317-I921 HydrophobicContact CG2-CB 4.32Å; I317-I921 HydrophobicContact CG2-CD1 3.85Å; I317-I921 HydrophobicContact CG2-CG1 3.86Å; I317-I921 HydrophobicContact CG2-CG2 3.55Å; A319-I921 HydrophobicContact CB-CG2 3.84Å; T919-I921 PolarHBondContact O-N 3.38Å |
| 922 | G | 92.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 7.5 Ų | 7.5 | 2% | 0.021 | 4% | 0.037 | C | C | . | . | S | Bend | trans | 84.3 | 9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | N155 Y351 T919 | N155-G922 WeakPolarHBondContact O-CA 3.47Å; Y351-G922 WeakPolarHBondContact CE2-O 3.41Å; T919-G922 PolarHBondContact O-N 3.27Å |
| 923 | S | 92.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 7.7 Ų | 7.7 | 2% | 0.021 | 4% | 0.039 | C | C | . | . | P | Polyproline II helix | trans | -87.4 | 161.3 | 167.3 | 79.1 | 0 | 0 | 0 | 0 | 111.5 | T919 S969 | T919-S923 WeakPolarHBondContact CB-O 3.4Å; T919-S923 WeakPolarHBondContact CG2-O 3.18Å; T919-S923 WeakPolarHBondContact CG2-OG 3.32Å; T919-S923 PolarHBondContact N-O 2.86Å; T919-S923 VanDerWaalsContact OG1-C 3.32Å; T919-S923 WeakPolarHBondContact OG1-CA 3.5Å; T919-S923 WeakPolarHBondContact OG1-CB 3.15Å; T919-S923 PolarHBondContact OG1-N 2.81Å; T919-S923 PolarHBondContact OG1-O 3.36Å; T919-S923 PolarHBondContact OG1-OG 2.87Å; S923-S969 WeakPolarHBondContact CB-OG 3.22Å; S923-S969 PolarHBondContact OG-OG 3.41Å |
| 924 | Q | 91.8 | Very high | 90.8 | Very high | 19 Ų | 19 | 7.6 Ų | 7.6 | 9% | 0.089 | 4% | 0.039 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 118.3 | 175.1 | -168.6 | -178.4 | 77.7 | 0 | 0 | 110.5 | D356 K916 S969 R970 | D356-Q924 PolarHBondContact OD2-NE2 2.74Å; K916-Q924 HydrophobicContact CB-CG 4Å; K916-Q924 VanDerWaalsContact CE-OE1 3.29Å; K916-Q924 HydrophobicContact CG-CG 4.35Å; Q924-S969 WeakPolarHBondContact O-CA 3.43Å; Q924-R970 PolarHBondContact N-O 3.26Å; Q924-R970 PolarHBondContact O-N 2.87Å |
| 925 | L | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 120.7 | 166.4 | 176.6 | 62 | 0 | 0 | 0 | 108.9 | H301 V315 K916 I917 T919 V967 S968 | H301-L925 HydrophobicContact CB-CD2 3.75Å; V315-L925 HydrophobicContact CG1-CD1 4.41Å; V315-L925 HydrophobicContact CG2-CD1 3.91Å; K916-L925 CarbonylContact C-O 3.36Å; K916-L925 VanDerWaalsContact CA-O 3.29Å; K916-L925 WeakPolarHBondContact CA-O 3.45Å; I917-L925 HydrophobicContact CB-CB 4.44Å; I917-L925 PolarHBondContact N-O 2.81Å; I917-L925 PolarHBondContact O-N 2.79Å; T919-L925 HydrophobicContact CG2-CB 3.95Å; L925-V967 HydrophobicContact CD1-CG1 3.89Å; L925-S968 CarbonylContact C-O 3.53Å; L925-S968 WeakPolarHBondContact CA-O 3.17Å |
| 926 | S | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 124.7 | 176.8 | -168.1 | 0 | 0 | 0 | 0 | 110.6 | V915 V967 S968 | V915-S926 WeakPolarHBondContact O-CA 3.49Å; S926-V967 WeakPolarHBondContact O-CA 3.34Å; S926-S968 PolarHBondContact N-O 2.81Å; S926-S968 PolarHBondContact O-N 2.81Å |
| 927 | I | 90 | Very high | 89.9 | Confident | 4 Ų | 4 | 10.9 Ų | 10.9 | 2% | 0.021 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 106.5 | 173.7 | -57.1 | 163.6 | 0 | 0 | 0 | 107.6 | V273 I303 V915 D966 V967 | V273-I927 HydrophobicContact CB-CD1 4.46Å; V273-I927 HydrophobicContact CG1-CD1 4.38Å; V273-I927 HydrophobicContact CG2-CD1 3.27Å; I303-I927 HydrophobicContact CG1-CD1 3.74Å; I303-I927 HydrophobicContact CG1-CG1 4.4Å; I303-I927 HydrophobicContact CG2-CD1 4.44Å; V915-I927 HydrophobicContact CB-CB 4.35Å; V915-I927 PolarHBondContact N-O 2.83Å; V915-I927 PolarHBondContact O-N 2.89Å; I927-D966 CarbonylContact C-O 3.56Å; I927-D966 WeakPolarHBondContact CA-O 3.24Å; I927-V967 HydrophobicContact CG1-CG1 4.34Å; I927-V967 HydrophobicContact CG1-CG2 4.4Å; I927-V967 HydrophobicContact CG2-CG2 4.41Å |
| 928 | R | 89.4 | Confident | 89.3 | Confident | 10 Ų | 10 | 12.3 Ų | 12.3 | 4% | 0.038 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119 | -174.8 | 173.9 | -178 | -61 | -88.3 | 0.1 | 110.2 | Y412 E912 T913 V914 D966 | Y412-R928 VanDerWaalsContact OH-CD 3.31Å; Y412-R928 WeakPolarHBondContact OH-CD 3.26Å; Y412-R928 PolarHBondContact OH-NH1 3.48Å; E912-R928 IonicContact OE1-NH1 2.84Å; E912-R928 PolarHBondContact OE1-NH1 3.44Å; T913-R928 WeakPolarHBondContact O-CA 3.49Å; V914-R928 HydrophobicContact CG2-CB 4.49Å; V914-R928 HydrophobicContact CG2-CG 4.16Å; R928-D966 HydrophobicContact CB-CB 4.2Å; R928-D966 PolarHBondContact N-O 3.26Å; R928-D966 PolarHBondContact O-N 2.89Å |
| 929 | R | 86.9 | Confident | 88.3 | Confident | 33 Ų | 33 | 12.9 Ų | 12.9 | 13% | 0.125 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123.1 | 175.4 | -56.8 | 176.6 | -178.2 | 152.5 | 7.4 | 108.9 | S272 E912 T913 V964 T965 | S272-R929 PolarHBondContact OG-NH2 3.16Å; E912-R929 CarbonylContact C-O 3.58Å; E912-R929 VanDerWaalsContact CA-O 3.25Å; E912-R929 WeakPolarHBondContact CA-O 3.38Å; T913-R929 PolarHBondContact N-O 2.9Å; T913-R929 PolarHBondContact O-N 3.09Å; R929-V964 CarbonylContact C-O 3.55Å; R929-V964 VanDerWaalsContact CA-O 3.32Å; R929-V964 WeakPolarHBondContact CA-O 3.48Å; R929-T965 HydrophobicContact CG-CG2 4.08Å |
| 930 | K | 90.3 | Very high | 87.4 | Confident | 25 Ų | 25 | 18.8 Ų | 18.8 | 11% | 0.109 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 144.2 | -176.8 | 59.6 | -173 | 178.4 | -171.1 | 0 | 111 | Y412 L909 R911 M963 V964 | Y412-K930 HydrophobicContact CD1-CD 3.6Å; Y412-K930 HydrophobicContact CD2-CB 4.42Å; Y412-K930 HydrophobicContact CD2-CD 3.76Å; Y412-K930 HydrophobicContact CE1-CD 3.47Å; Y412-K930 VanDerWaalsContact CE1-CD 3.47Å; Y412-K930 HydrophobicContact CE2-CB 4.12Å; Y412-K930 HydrophobicContact CE2-CD 3.66Å; Y412-K930 HydrophobicContact CG-CD 3.73Å; L909-K930 HydrophobicContact CD1-CB 4.17Å; R911-K930 CarbonylContact O-C 3.5Å; R911-K930 VanDerWaalsContact O-CA 3.29Å; R911-K930 WeakPolarHBondContact O-CA 3.22Å; K930-M963 CarbonylContact O-C 3.54Å; K930-M963 WeakPolarHBondContact O-CA 3.46Å; K930-V964 HydrophobicContact CG-CB 3.86Å; K930-V964 PolarHBondContact N-O 2.75Å; K930-V964 PolarHBondContact O-N 2.75Å |
| 931 | A | 90.3 | Very high | 86 | Confident | 10 Ų | 10 | 19.2 Ų | 19.2 | 8% | 0.083 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 66.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L910 R911 S962 M963 | L910-A931 HydrophobicContact CB-CB 4.2Å; L910-A931 PolarHBondContact N-O 3.19Å; R911-A931 HydrophobicContact CB-CB 4.21Å; R911-A931 PolarHBondContact O-N 3.35Å; A931-S962 WeakPolarHBondContact CA-O 3.17Å; A931-M963 HydrophobicContact CB-CG 4.37Å |
| 932 | P | 94.1 | Very high | 84.8 | Confident | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.013 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 137.4 | 169.6 | 25.1 | -36.5 | 0 | 0 | 0 | 110.8 | N408 F411 T908 L909 S962 | N408-P932 HydrophobicContact CB-CB 3.99Å; N408-P932 HydrophobicContact CB-CG 3.88Å; N408-P932 PolarHBondContact ND2-O 3.2Å; F411-P932 HydrophobicContact CD1-CB 4.04Å; T908-P932 WeakPolarHBondContact O-CA 3.21Å; L909-P932 HydrophobicContact CD1-CB 4.36Å; P932-S962 VanDerWaalsContact CD-O 3.23Å; P932-S962 WeakPolarHBondContact CD-O 3.38Å; P932-S962 PolarHBondContact O-N 3.12Å |
| 933 | A | 92 | Very high | 83.4 | Confident | 9 Ų | 9 | 23.6 Ų | 23.6 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 136.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | A907 T908 L910 T960 I961 | A907-A933 CarbonylContact C-O 3.5Å; A907-A933 WeakPolarHBondContact CA-O 3.32Å; T908-A933 HydrophobicContact CG2-CB 4.43Å; T908-A933 PolarHBondContact N-O 3.13Å; T908-A933 PolarHBondContact O-N 3.24Å; L910-A933 HydrophobicContact CD1-CB 3.75Å; L910-A933 HydrophobicContact CG-CB 3.86Å; A933-T960 CarbonylContact C-O 3.58Å; A933-T960 WeakPolarHBondContact CA-O 3.17Å; A933-I961 HydrophobicContact CB-CB 4.47Å; A933-I961 HydrophobicContact CB-CG1 3.88Å; A933-I961 HydrophobicContact CB-CG2 4.47Å |
| 934 | I | 91.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 127.6 | 172.9 | -66.5 | 165.4 | 0 | 0 | 0 | 108.2 | M399 A403 A407 N408 F411 E906 A907 T959 T960 | M399-I934 HydrophobicContact CE-CG2 3.66Å; M399-I934 HydrophobicContact CG-CD1 4.49Å; M399-I934 HydrophobicContact SD-CD1 4.18Å; M399-I934 HydrophobicContact SD-CG2 4.23Å; A403-I934 HydrophobicContact CB-CB 4Å; A403-I934 HydrophobicContact CB-CD1 4.48Å; A403-I934 HydrophobicContact CB-CG2 3.62Å; A407-I934 HydrophobicContact CB-CD1 3.62Å; N408-I934 WeakPolarHBondContact OD1-CD1 3.37Å; N408-I934 VanDerWaalsContact OD1-CG1 3.3Å; N408-I934 WeakPolarHBondContact OD1-CG1 3.32Å; N408-I934 PolarHBondContact OD1-N 3.06Å; F411-I934 HydrophobicContact CB-CD1 4.38Å; E906-I934 CarbonylContact O-C 3.5Å; E906-I934 WeakPolarHBondContact O-CA 3.27Å; A907-I934 HydrophobicContact CB-CG1 3.9Å; I934-T959 CarbonylContact O-C 3.54Å; I934-T959 VanDerWaalsContact O-CA 3.29Å; I934-T959 WeakPolarHBondContact O-CA 3.47Å; I934-T960 HydrophobicContact CB-CG2 3.88Å; I934-T960 PolarHBondContact N-O 3.16Å; I934-T960 PolarHBondContact O-N 3.09Å |
| 935 | F | 85 | Confident | 80.7 | Confident | 81 Ų | 81 | 32.8 Ų | 32.8 | 36% | 0.355 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 127.9 | 171.7 | 173.4 | -90 | 0 | 0 | 0 | 108.7 | I904 E906 A937 I957 S958 | I904-F935 HydrophobicContact CG2-CD1 4.39Å; I904-F935 HydrophobicContact CG2-CE1 4.24Å; E906-F935 HydrophobicContact CB-CB 4.43Å; E906-F935 PolarHBondContact N-O 3Å; E906-F935 PolarHBondContact O-N 3.11Å; F935-A937 HydrophobicContact CE1-CB 3.91Å; F935-A937 HydrophobicContact CZ-CB 4.03Å; F935-I957 HydrophobicContact CE2-CG2 3.55Å; F935-I957 HydrophobicContact CZ-CG2 3.82Å; F935-S958 WeakPolarHBondContact CA-O 3.11Å |
| 936 | S | 81.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 129.4 | 177.4 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | I904 D905 I957 S958 | I904-S936 CarbonylContact O-C 3.53Å; I904-S936 WeakPolarHBondContact O-CA 3.41Å; D905-S936 VanDerWaalsContact OD1-CB 3.24Å; D905-S936 WeakPolarHBondContact OD1-CB 3.43Å; D905-S936 PolarHBondContact OD1-OG 3.38Å; S936-I957 CarbonylContact O-C 3.55Å; S936-I957 WeakPolarHBondContact O-CA 3.16Å; S936-S958 PolarHBondContact N-O 3.33Å; S936-S958 PolarHBondContact O-N 2.81Å |
| 937 | A | 72.3 | Confident | 77.8 | Confident | 13 Ų | 13 | 44 Ų | 44 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 107.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | S903 I904 F935 R956 I957 | S903-A937 WeakPolarHBondContact CA-O 3.46Å; I904-A937 HydrophobicContact CB-CB 4.31Å; I904-A937 PolarHBondContact N-O 2.83Å; I904-A937 PolarHBondContact O-N 2.73Å; F935-A937 HydrophobicContact CE1-CB 3.91Å; F935-A937 HydrophobicContact CZ-CB 4.03Å; A937-R956 WeakPolarHBondContact CA-O 3.32Å; A937-I957 HydrophobicContact CB-CG1 4.2Å |
| 938 | H | 76.7 | Confident | 76.6 | Confident | 33 Ų | 33 | 45.8 Ų | 45.8 | 15% | 0.153 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 133.7 | 177.1 | -54.6 | -73.5 | 0 | 0 | 0 | 109.7 | I902 S903 D905 A955 R956 | I902-H938 CarbonylContact O-C 3.55Å; I902-H938 VanDerWaalsContact O-CA 3.23Å; I902-H938 WeakPolarHBondContact O-CA 3.43Å; S903-H938 PolarHBondContact OG-CE1 2.79Å; S903-H938 PolarHBondContact OG-ND1 2.81Å; D905-H938 IonicContact OD1-CE1 3.68Å; D905-H938 PolarHBondContact OD1-CE1 2.79Å; D905-H938 IonicContact OD1-NE2 2.76Å; D905-H938 PolarHBondContact OD1-NE2 2.8Å; D905-H938 IonicContact OD2-CE1 3.9Å; D905-H938 PolarHBondContact OD2-CE1 2.98Å; D905-H938 IonicContact OD2-NE2 3.82Å; H938-A955 CarbonylContact O-C 3.46Å; H938-A955 VanDerWaalsContact O-CA 3.32Å; H938-A955 WeakPolarHBondContact O-CA 3.14Å; H938-R956 PolarHBondContact N-O 3.2Å; H938-R956 VanDerWaalsContact N-O 3.09Å; H938-R956 PolarHBondContact O-N 2.89Å |
| 939 | G | 71.2 | Confident | 75.4 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.5 | 167.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S901 I902 R954 | S901-G939 CarbonylContact C-O 3.56Å; S901-G939 VanDerWaalsContact CA-O 3.31Å; S901-G939 WeakPolarHBondContact CA-O 3.29Å; I902-G939 PolarHBondContact N-O 2.84Å; I902-G939 PolarHBondContact O-N 2.84Å; G939-R954 CarbonylContact C-O 3.52Å; G939-R954 WeakPolarHBondContact CA-O 2.84Å |
| 940 | Q | 73.3 | Confident | 74.6 | Confident | 124 Ų | 124 | 51.5 Ų | 51.5 | 58% | 0.579 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.3 | 171.5 | -67.2 | 176.3 | -8.3 | 0 | 0 | 107.7 | R954 | Q940-R954 PolarHBondContact N-O 3.39Å; Q940-R954 PolarHBondContact O-N 3.34Å |
| 941 | A | 64 | Low | 73.4 | Confident | 8 Ų | 8 | 51.1 Ų | 51.1 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | A895 G900 D952 I953 | A895-A941 HydrophobicContact CB-CB 4.01Å; G900-A941 PolarHBondContact N-O 2.8Å; G900-A941 PolarHBondContact O-N 3.43Å; A941-D952 CarbonylContact C-O 3.49Å; A941-D952 VanDerWaalsContact CA-O 3.32Å; A941-D952 WeakPolarHBondContact CA-O 3.11Å; A941-I953 HydrophobicContact CB-CG1 4.32Å |
| 942 | S | 68.8 | Low | 72.5 | Confident | 46 Ų | 46 | 53 Ų | 53 | 32% | 0.322 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.2 | 171 | 50.7 | 0 | 0 | 0 | 0 | 109.3 | A951 D952 | S942-A951 CarbonylContact O-C 3.57Å; S942-A951 VanDerWaalsContact O-CA 3.28Å; S942-A951 WeakPolarHBondContact O-CA 3.36Å; S942-D952 PolarHBondContact N-O 3.1Å; S942-D952 PolarHBondContact O-N 2.8Å |
| 943 | I | 64 | Low | 71.2 | Confident | 62 Ų | 62 | 54.2 Ų | 54.2 | 32% | 0.318 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 116.5 | 172 | -54.7 | -176.9 | 0 | 0 | 0 | 108.6 | A895 I949 Q950 A951 | A895-I943 HydrophobicContact CB-CD1 3.56Å; A895-I943 HydrophobicContact CB-CG1 4.01Å; A895-I943 VanDerWaalsContact O-CD1 3.26Å; A895-I943 WeakPolarHBondContact O-CD1 3.24Å; I943-I949 HydrophobicContact CG2-CG2 3.65Å; I943-Q950 CarbonylContact C-O 3.3Å; I943-Q950 WeakPolarHBondContact CA-O 3.38Å; I943-A951 HydrophobicContact CG1-CB 4.04Å |
| 944 | G | 65.6 | Low | 70.3 | Confident | 34 Ų | 34 | 60.7 Ų | 60.7 | 35% | 0.351 | 31% | 0.308 | S | S | . | . | trans | -70.7 | 139.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q950 | G944-Q950 PolarHBondContact N-O 2.99Š| ||
| 945 | R | 61.5 | Low | 69.3 | Low | 180 Ų | 180 | 61.9 Ų | 61.9 | 68% | 0.679 | 32% | 0.318 | S | S | * | . | trans | -84 | -17.2 | 179.7 | -68.1 | -164.7 | -166.9 | 163.4 | 19.7 | 114.5 | ||||
| 946 | N | 66.4 | Low | 68.8 | Low | 137 Ų | 137 | 59.9 Ų | 59.9 | 73% | 0.733 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -74.8 | 146.4 | -177.9 | -63.9 | -11.1 | 0 | 0 | 0 | 108.6 | P948 I949 | N946-P948 CarbonylContact O-C 3.53Å; N946-I949 VanDerWaalsContact O-CA 3.3Å; N946-I949 WeakPolarHBondContact O-CA 3.18Å; N946-I949 PolarHBondContact O-N 3.3Å; N946-I949 VanDerWaalsContact O-N 3.1Å |
| 947 | I | 59.9 | Low | 68.5 | Low | 99 Ų | 99 | 63.3 Ų | 63.3 | 51% | 0.508 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -81.3 | 128.6 | 168.9 | -64.1 | 173 | 0 | 0 | 0 | 107 | D997 R999 | I947-D997 WeakPolarHBondContact CG2-OD1 3.38Å; I947-R999 HydrophobicContact CG2-CG 4.48Å |
| 948 | P | 62.8 | Low | 69 | Low | 42 Ų | 42 | 62.8 Ų | 62.8 | 27% | 0.273 | 32% | 0.321 | S | S | . | . | S | Bend | cis | -68.7 | 133.3 | -0.7 | 27.6 | -34.3 | 0 | 0 | 0 | 113.2 | N946 Q950 L996 D997 | N946-P948 CarbonylContact O-C 3.53Å; P948-Q950 PolarHBondContact O-N 3.12Å; P948-L996 CarbonylContact C-O 3.51Å; P948-L996 VanDerWaalsContact CA-O 3.27Å; P948-L996 WeakPolarHBondContact CA-O 3.46Å; P948-D997 HydrophobicContact CB-CB 3.72Å |
| 949 | I | 65.4 | Low | 69.4 | Low | 68 Ų | 68 | 63.4 Ų | 63.4 | 35% | 0.349 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 104.2 | 176.3 | -60.8 | 174.7 | 0 | 0 | 0 | 107.5 | I943 N946 S995 L996 | I943-I949 HydrophobicContact CG2-CG2 3.65Å; N946-I949 VanDerWaalsContact O-CA 3.3Å; N946-I949 WeakPolarHBondContact O-CA 3.18Å; N946-I949 PolarHBondContact O-N 3.3Å; N946-I949 VanDerWaalsContact O-N 3.1Å; I949-S995 CarbonylContact O-C 3.56Å; I949-S995 VanDerWaalsContact O-CA 3.3Å; I949-S995 WeakPolarHBondContact O-CA 3.35Å; I949-L996 HydrophobicContact CB-CB 4.35Å; I949-L996 PolarHBondContact N-O 2.8Å; I949-L996 PolarHBondContact O-N 3.05Å |
| 950 | Q | 70.6 | Confident | 70.3 | Confident | 95 Ų | 95 | 62.7 Ų | 62.7 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 116.4 | 178.3 | -76.3 | -178.9 | -13.4 | 0 | 0 | 110.4 | I943 G944 P948 I994 | I943-Q950 CarbonylContact C-O 3.3Å; I943-Q950 WeakPolarHBondContact CA-O 3.38Å; G944-Q950 PolarHBondContact N-O 2.99Å; P948-Q950 PolarHBondContact O-N 3.12Å; Q950-I994 CarbonylContact C-O 3.49Å; Q950-I994 WeakPolarHBondContact CA-O 3.16Å |
| 951 | A | 64.1 | Low | 71.1 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 13% | 0.132 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 104.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | S942 I943 T993 I994 | S942-A951 CarbonylContact O-C 3.57Å; S942-A951 VanDerWaalsContact O-CA 3.28Å; S942-A951 WeakPolarHBondContact O-CA 3.36Å; I943-A951 HydrophobicContact CG1-CB 4.04Å; A951-T993 CarbonylContact O-C 3.53Å; A951-I994 HydrophobicContact CB-CB 4.35Å; A951-I994 PolarHBondContact N-O 3.15Å; A951-I994 PolarHBondContact O-N 3.34Å |
| 952 | D | 72.3 | Confident | 72.4 | Confident | 50 Ų | 50 | 58.2 Ų | 58.2 | 27% | 0.267 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 123.1 | 169 | -70.6 | -51.4 | 0 | 0 | 0 | 109.4 | A941 S942 T993 R1010 | A941-D952 CarbonylContact C-O 3.49Å; A941-D952 VanDerWaalsContact CA-O 3.32Å; A941-D952 WeakPolarHBondContact CA-O 3.11Å; S942-D952 PolarHBondContact N-O 3.1Å; S942-D952 PolarHBondContact O-N 2.8Å; D952-T993 VanDerWaalsContact OD1-CB 3.23Å; D952-T993 WeakPolarHBondContact OD1-CB 3.25Å; D952-T993 WeakPolarHBondContact OD1-CG2 3.37Å; D952-T993 PolarHBondContact OD1-OG1 3.12Å; D952-R1010 IonicContact OD1-NH2 3.99Å |
| 953 | I | 66.8 | Low | 73.3 | Confident | 28 Ų | 28 | 60.1 Ų | 60.1 | 14% | 0.144 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 112.9 | 178.9 | -55 | 170.7 | 0 | 0 | 0 | 108.1 | I891 A941 A955 M992 I994 | I891-I953 HydrophobicContact CG2-CD1 4.29Å; A941-I953 HydrophobicContact CB-CG1 4.32Å; I953-A955 HydrophobicContact CG2-CB 4.42Å; I953-M992 HydrophobicContact CB-CG 3.69Å; I953-M992 HydrophobicContact CB-SD 4.36Å; I953-M992 HydrophobicContact CD1-CG 4.28Å; I953-M992 HydrophobicContact CD1-SD 4.11Å; I953-M992 HydrophobicContact CG1-CG 4.39Å; I953-M992 HydrophobicContact CG2-CG 4.36Å; I953-M992 PolarHBondContact N-O 3.31Å; I953-M992 PolarHBondContact O-N 2.89Å; I953-I994 HydrophobicContact CD1-CD1 3.97Å |
| 954 | R | 73.6 | Confident | 74.5 | Confident | 144 Ų | 144 | 57.7 Ų | 57.7 | 54% | 0.543 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 106.6 | 169.4 | -74.7 | -177.2 | -69.2 | 173 | -1.2 | 108.2 | G939 Q940 V990 D991 | G939-R954 CarbonylContact C-O 3.52Å; G939-R954 WeakPolarHBondContact CA-O 2.84Å; Q940-R954 PolarHBondContact N-O 3.39Å; Q940-R954 PolarHBondContact O-N 3.34Å; R954-V990 CarbonylContact C-O 3.46Å; R954-V990 WeakPolarHBondContact CA-O 3.37Å; R954-D991 HydrophobicContact CG-CB 4.42Å; R954-D991 WeakPolarHBondContact CG-OD1 3.49Å |
| 955 | A | 68.4 | Low | 75.6 | Confident | 25 Ų | 25 | 57.4 Ų | 57.4 | 21% | 0.207 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 157.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H938 I953 V990 | H938-A955 CarbonylContact O-C 3.46Å; H938-A955 VanDerWaalsContact O-CA 3.32Å; H938-A955 WeakPolarHBondContact O-CA 3.14Å; I953-A955 HydrophobicContact CG2-CB 4.42Å; A955-V990 HydrophobicContact CB-CB 4.33Å; A955-V990 PolarHBondContact N-O 2.84Å; A955-V990 WeakPolarHBondContact O-CA 3.48Å; A955-V990 PolarHBondContact O-N 3.46Å |
| 956 | R | 74.5 | Confident | 77 | Confident | 40 Ų | 40 | 49 Ų | 49 | 15% | 0.151 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 111.8 | 179.9 | -162.1 | -160.8 | 72.1 | 137 | 24.1 | 109.1 | D401 T402 A937 H938 S958 T987 P989 | D401-R956 VanDerWaalsContact C-CZ 3.43Å; D401-R956 PolarHBondContact O-NH1 3.09Å; D401-R956 VanDerWaalsContact O-NH1 3.13Å; D401-R956 PolarHBondContact O-NH2 2.86Å; T402-R956 VanDerWaalsContact CG2-CZ 3.45Å; A937-R956 WeakPolarHBondContact CA-O 3.32Å; H938-R956 PolarHBondContact N-O 3.2Å; H938-R956 VanDerWaalsContact N-O 3.09Å; H938-R956 PolarHBondContact O-N 2.89Å; R956-S958 PolarHBondContact NH2-OG 2.91Å; R956-S958 VanDerWaalsContact NH2-OG 3.1Å; R956-T987 HydrophobicContact CG-CG2 4.28Å; R956-P989 HydrophobicContact CG-CB 4.38Å |
| 957 | I | 75.8 | Confident | 78.3 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126 | -179 | -56 | 172.2 | 0 | 0 | 0 | 107.3 | F935 S936 A937 T987 V988 | F935-I957 HydrophobicContact CE2-CG2 3.55Å; F935-I957 HydrophobicContact CZ-CG2 3.82Å; S936-I957 CarbonylContact O-C 3.55Å; S936-I957 WeakPolarHBondContact O-CA 3.16Å; A937-I957 HydrophobicContact CB-CG1 4.2Å; I957-T987 CarbonylContact O-C 3.51Å; I957-T987 WeakPolarHBondContact O-CA 3.34Å; I957-V988 PolarHBondContact N-O 3.39Å; I957-V988 PolarHBondContact O-N 3.49Å |
| 958 | S | 83.3 | Confident | 79.9 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 142.1 | 176.2 | 56.8 | 0 | 0 | 0 | 0 | 111 | F935 S936 R956 A986 | F935-S958 WeakPolarHBondContact CA-O 3.11Å; S936-S958 PolarHBondContact N-O 3.33Å; S936-S958 PolarHBondContact O-N 2.81Å; R956-S958 PolarHBondContact NH2-OG 2.91Å; R956-S958 VanDerWaalsContact NH2-OG 3.1Å; S958-A986 CarbonylContact C-O 3.14Å; S958-A986 VanDerWaalsContact CA-O 3.23Å; S958-A986 WeakPolarHBondContact CA-O 3.35Å |
| 959 | T | 85 | Confident | 81.4 | Confident | 45 Ų | 45 | 36 Ų | 36 | 28% | 0.276 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 139.7 | 170.6 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | I934 K985 A986 | I934-T959 CarbonylContact O-C 3.54Å; I934-T959 VanDerWaalsContact O-CA 3.29Å; I934-T959 WeakPolarHBondContact O-CA 3.47Å; T959-K985 CarbonylContact O-C 3.56Å; T959-K985 WeakPolarHBondContact O-CA 3.33Å; T959-A986 HydrophobicContact CG2-CB 3.79Å; T959-A986 PolarHBondContact N-O 3.47Å; T959-A986 PolarHBondContact O-N 2.75Å |
| 960 | T | 91.1 | Very high | 82.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130 | 172.8 | -172.9 | 0 | 0 | 0 | 0 | 109.5 | A403 N408 A933 I934 N983 I984 | A403-T960 HydrophobicContact CB-CG2 3.4Å; N408-T960 WeakPolarHBondContact ND2-CG2 3.43Å; N408-T960 PolarHBondContact ND2-O 2.73Å; N408-T960 VanDerWaalsContact ND2-O 3.14Å; A933-T960 CarbonylContact C-O 3.58Å; A933-T960 WeakPolarHBondContact CA-O 3.17Å; I934-T960 HydrophobicContact CB-CG2 3.88Å; I934-T960 PolarHBondContact N-O 3.16Å; I934-T960 PolarHBondContact O-N 3.09Å; T960-N983 PolarHBondContact OG1-OD1 2.76Å; T960-I984 CarbonylContact C-O 3.52Å; T960-I984 WeakPolarHBondContact CA-O 3.33Å |
| 961 | I | 90 | Very high | 83.4 | Confident | 36 Ų | 36 | 31 Ų | 31 | 19% | 0.185 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 122 | 179.5 | -54.5 | 174.6 | 0 | 0 | 0 | 107.6 | L910 A933 M963 N983 I984 | L910-I961 HydrophobicContact CD1-CD1 4.06Å; L910-I961 HydrophobicContact CD1-CG1 4.36Å; L910-I961 HydrophobicContact CD1-CG2 4.01Å; A933-I961 HydrophobicContact CB-CB 4.47Å; A933-I961 HydrophobicContact CB-CG1 3.88Å; A933-I961 HydrophobicContact CB-CG2 4.47Å; I961-M963 HydrophobicContact CG2-CG 4.47Å; I961-N983 CarbonylContact O-C 3.56Å; I961-N983 WeakPolarHBondContact O-CA 3.32Å; I961-N983 PolarHBondContact O-OD1 2.91Å; I961-I984 HydrophobicContact CB-CB 4.36Å; I961-I984 PolarHBondContact N-O 3.34Å; I961-I984 PolarHBondContact O-N 2.9Å |
| 962 | S | 90.7 | Very high | 84.1 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 101.5 | 179.1 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | N408 A931 P932 V964 K982 N983 | N408-S962 WeakPolarHBondContact CB-OG 3.2Å; N408-S962 PolarHBondContact ND2-N 3.01Å; N408-S962 PolarHBondContact ND2-OG 3.44Å; A931-S962 WeakPolarHBondContact CA-O 3.17Å; P932-S962 VanDerWaalsContact CD-O 3.23Å; P932-S962 WeakPolarHBondContact CD-O 3.38Å; P932-S962 PolarHBondContact O-N 3.12Å; S962-V964 PolarHBondContact O-N 3.19Å; S962-K982 CarbonylContact C-O 3.5Å; S962-K982 WeakPolarHBondContact CA-O 3.2Å; S962-N983 PolarHBondContact OG-OD1 2.68Å |
| 963 | M | 88 | Confident | 84.7 | Confident | 86 Ų | 86 | 29.1 Ų | 29.1 | 42% | 0.424 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 110.6 | 172.9 | -53.2 | 177 | -174.3 | 0 | 0 | 109 | K930 A931 I961 K982 I984 | K930-M963 CarbonylContact O-C 3.54Å; K930-M963 WeakPolarHBondContact O-CA 3.46Å; A931-M963 HydrophobicContact CB-CG 4.37Å; I961-M963 HydrophobicContact CG2-CG 4.47Å; M963-K982 HydrophobicContact CB-CB 4.28Å; M963-K982 PolarHBondContact N-O 3.39Å; M963-K982 PolarHBondContact O-N 2.88Å; M963-I984 HydrophobicContact CE-CD1 4.23Å |
| 964 | V | 88.7 | Confident | 85.7 | Confident | 12 Ų | 12 | 28.3 Ų | 28.3 | 7% | 0.073 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.7 | -177.2 | -177 | 0 | 0 | 0 | 0 | 109.8 | R929 K930 S962 Y979 L980 I981 | R929-V964 CarbonylContact C-O 3.55Å; R929-V964 VanDerWaalsContact CA-O 3.32Å; R929-V964 WeakPolarHBondContact CA-O 3.48Å; K930-V964 HydrophobicContact CG-CB 3.86Å; K930-V964 PolarHBondContact N-O 2.75Å; K930-V964 PolarHBondContact O-N 2.75Å; S962-V964 PolarHBondContact O-N 3.19Å; V964-Y979 HydrophobicContact CG1-CD1 3.99Å; V964-Y979 HydrophobicContact CG1-CG 4.42Å; V964-L980 WeakPolarHBondContact CA-O 3.34Å; V964-I981 HydrophobicContact CG1-CG1 4.32Å; V964-I981 HydrophobicContact CG2-CG1 4.29Å; V964-I981 HydrophobicContact CG2-CG2 4.3Å |
| 965 | T | 88.6 | Confident | 86.6 | Confident | 28 Ų | 28 | 21.5 Ų | 21.5 | 17% | 0.172 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 111 | 164.1 | -57.3 | 0 | 0 | 0 | 0 | 108.7 | R929 V967 Y979 L980 | R929-T965 HydrophobicContact CG-CG2 4.08Å; T965-V967 HydrophobicContact CG2-CG2 4.17Å; T965-Y979 CarbonylContact O-C 3.45Å; T965-Y979 WeakPolarHBondContact O-CA 3.17Å; T965-L980 HydrophobicContact CG2-CD1 4.26Å; T965-L980 PolarHBondContact N-O 3.29Å; T965-L980 PolarHBondContact O-N 2.78Å |
| 966 | D | 91.3 | Very high | 87.8 | Confident | 4 Ų | 4 | 20.3 Ų | 20.3 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 115.2 | 175.4 | 171.3 | 9.2 | 0 | 0 | 0 | 108.9 | I927 R928 S968 R970 Y979 Y1028 | I927-D966 CarbonylContact C-O 3.56Å; I927-D966 WeakPolarHBondContact CA-O 3.24Å; R928-D966 HydrophobicContact CB-CB 4.2Å; R928-D966 PolarHBondContact N-O 3.26Å; R928-D966 PolarHBondContact O-N 2.89Å; D966-S968 PolarHBondContact OD1-OG 3.11Å; D966-R970 IonicContact OD2-NH2 3.43Å; D966-R970 PolarHBondContact OD2-NH2 2.8Å; D966-Y979 HydrophobicContact CB-CD1 3.71Å; D966-Y979 HydrophobicContact CB-CE1 3.74Å; D966-Y979 VanDerWaalsContact CG-CE1 3.48Å; D966-Y1028 PolarHBondContact OD1-OH 3.07Å; D966-Y1028 PolarHBondContact OD2-OH 3.47Å |
| 967 | V | 92.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 113.4 | 170.8 | -176.7 | 0 | 0 | 0 | 0 | 107.6 | I303 V313 V315 L925 S926 I927 T965 G977 I978 | I303-V967 HydrophobicContact CD1-CG1 3.99Å; V313-V967 HydrophobicContact CB-CG2 4.49Å; V313-V967 HydrophobicContact CG1-CB 4.08Å; V313-V967 HydrophobicContact CG1-CG1 3.99Å; V313-V967 HydrophobicContact CG1-CG2 4.22Å; V315-V967 HydrophobicContact CG2-CG1 3.84Å; L925-V967 HydrophobicContact CD1-CG1 3.89Å; S926-V967 WeakPolarHBondContact O-CA 3.34Å; I927-V967 HydrophobicContact CG1-CG1 4.34Å; I927-V967 HydrophobicContact CG1-CG2 4.4Å; I927-V967 HydrophobicContact CG2-CG2 4.41Å; T965-V967 HydrophobicContact CG2-CG2 4.17Å; V967-G977 CarbonylContact O-C 3.6Å; V967-G977 WeakPolarHBondContact O-CA 3.17Å; V967-I978 HydrophobicContact CB-CG2 4.03Å; V967-I978 PolarHBondContact N-O 2.78Å; V967-I978 PolarHBondContact O-N 2.86Å |
| 968 | S | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 142.5 | -176.9 | 33.7 | 0 | 0 | 0 | 0 | 112.9 | L925 S926 D966 R970 N976 Y1028 | L925-S968 CarbonylContact C-O 3.53Å; L925-S968 WeakPolarHBondContact CA-O 3.17Å; S926-S968 PolarHBondContact N-O 2.81Å; S926-S968 PolarHBondContact O-N 2.81Å; D966-S968 PolarHBondContact OD1-OG 3.11Å; S968-R970 PolarHBondContact OG-NE 2.83Å; S968-R970 PolarHBondContact OG-NH2 2.82Å; S968-N976 CarbonylContact C-O 3.58Å; S968-N976 VanDerWaalsContact CA-O 3.26Å; S968-N976 WeakPolarHBondContact CA-O 3.29Å; S968-N976 WeakPolarHBondContact CB-O 3.18Å; S968-Y1028 VanDerWaalsContact CB-OH 3.22Å; S968-Y1028 WeakPolarHBondContact CB-OH 3.39Å; S968-Y1028 PolarHBondContact OG-OH 3.39Å |
| 969 | S | 94.3 | Very high | 89.9 | Confident | 4 Ų | 4 | 16 Ų | 16 | 3% | 0.028 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 128.1 | 160.4 | 170.6 | 0 | 0 | 0 | 0 | 108.3 | S923 Q924 T975 N976 | S923-S969 WeakPolarHBondContact CB-OG 3.22Å; S923-S969 PolarHBondContact OG-OG 3.41Å; Q924-S969 WeakPolarHBondContact O-CA 3.43Å; S969-T975 WeakPolarHBondContact O-CA 3.47Å; S969-N976 PolarHBondContact N-O 3.29Å; S969-N976 PolarHBondContact O-N 3.24Å |
| 970 | R | 90.4 | Very high | 89.9 | Confident | 44 Ų | 44 | 14.4 Ų | 14.4 | 17% | 0.166 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 127.9 | -168.7 | -61.8 | -175 | 177.7 | -157.5 | -4 | 110.8 | Q924 D966 S968 T975 | Q924-R970 PolarHBondContact N-O 3.26Å; Q924-R970 PolarHBondContact O-N 2.87Å; D966-R970 IonicContact OD2-NH2 3.43Å; D966-R970 PolarHBondContact OD2-NH2 2.8Å; S968-R970 PolarHBondContact OG-NE 2.83Å; S968-R970 PolarHBondContact OG-NH2 2.82Å; R970-T975 HydrophobicContact CG-CG2 3.85Å |
| 971 | T | 86.9 | Confident | 89.6 | Confident | 15 Ų | 15 | 14.7 Ų | 14.7 | 9% | 0.092 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 160.2 | 161.1 | 67.8 | 0 | 0 | 0 | 0 | 108.5 | L156 I973 S974 Q1033 | L156-T971 HydrophobicContact CD2-CG2 4.27Å; T971-I973 PolarHBondContact O-N 3.07Å; T971-I973 WeakPolarHBondContact OG1-CG1 3.18Å; T971-S974 CarbonylContact C-O 3.55Å; T971-S974 PolarHBondContact N-O 3.44Å; T971-S974 CarbonylContact O-C 3.49Å; T971-S974 PolarHBondContact O-N 3.03Å; T971-S974 PolarHBondContact OG1-N 3.23Å; T971-S974 PolarHBondContact OG1-O 3.26Å; T971-S974 PolarHBondContact OG1-OG 3.13Å; T971-S974 VanDerWaalsContact OG1-OG 3.07Å; T971-Q1033 VanDerWaalsContact C-NE2 3.33Å; T971-Q1033 WeakPolarHBondContact O-CG 3.36Å; T971-Q1033 PolarHBondContact O-NE2 3.27Å |
| 972 | P | 79.6 | Confident | 89.4 | Confident | 16 Ų | 16 | 14.5 Ų | 14.5 | 10% | 0.104 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -29.1 | 178.4 | -31.6 | 42 | 0 | 0 | 0 | 114.7 | W152 R378 S1032 | W152-P972 VanDerWaalsContact CB-CD 3.42Å; W152-P972 HydrophobicContact CB-CG 3.52Å; W152-P972 HydrophobicContact CD2-CB 4.15Å; W152-P972 HydrophobicContact CD2-CG 3.75Å; W152-P972 HydrophobicContact CE3-CG 4.31Å; W152-P972 HydrophobicContact CG-CB 4.25Å; W152-P972 HydrophobicContact CG-CG 3.39Å; R378-P972 VanDerWaalsContact CZ-CG 3.45Å; P972-S1032 WeakPolarHBondContact O-CA 3.21Å |
| 973 | I | 84.9 | Confident | 89.1 | Confident | 10 Ų | 10 | 14.7 Ų | 14.7 | 5% | 0.051 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -13.8 | 179.4 | 62.6 | 170.2 | 0 | 0 | 0 | 114.3 | I119 D123 L127 W152 T971 R1031 | I119-I973 HydrophobicContact CD1-CD1 4.35Å; I119-I973 HydrophobicContact CG2-CG2 4.1Å; D123-I973 HydrophobicContact CB-CG2 3.88Å; L127-I973 HydrophobicContact CD1-CD1 4.28Å; W152-I973 HydrophobicContact CH2-CG2 3.57Å; W152-I973 HydrophobicContact CZ2-CG2 4.36Å; W152-I973 HydrophobicContact CZ3-CD1 4.14Å; W152-I973 HydrophobicContact CZ3-CG1 4.15Å; W152-I973 HydrophobicContact CZ3-CG2 3.76Å; T971-I973 PolarHBondContact O-N 3.07Å; T971-I973 WeakPolarHBondContact OG1-CG1 3.18Å; I973-R1031 CarbonylContact C-O 3.52Å |
| 974 | S | 88.1 | Confident | 89 | Confident | 10 Ų | 10 | 12.4 Ų | 12.4 | 7% | 0.07 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 140.1 | -179.8 | 67.2 | 0 | 0 | 0 | 0 | 112.5 | T971 | T971-S974 CarbonylContact C-O 3.55Å; T971-S974 PolarHBondContact N-O 3.44Å; T971-S974 CarbonylContact O-C 3.49Å; T971-S974 PolarHBondContact O-N 3.03Å; T971-S974 PolarHBondContact OG1-N 3.23Å; T971-S974 PolarHBondContact OG1-O 3.26Å; T971-S974 PolarHBondContact OG1-OG 3.13Å; T971-S974 VanDerWaalsContact OG1-OG 3.07Å |
| 975 | T | 91.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.006 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 123.6 | 167.4 | -64.3 | 0 | 0 | 0 | 0 | 108.9 | S969 R970 Y1028 Y1029 M1030 | S969-T975 WeakPolarHBondContact O-CA 3.47Å; R970-T975 HydrophobicContact CG-CG2 3.85Å; T975-Y1028 HydrophobicContact CG2-CE2 4.14Å; T975-Y1029 CarbonylContact O-C 3.45Å; T975-Y1029 WeakPolarHBondContact O-CA 3.31Å; T975-M1030 HydrophobicContact CG2-CE 3.67Å; T975-M1030 PolarHBondContact N-O 2.75Å; T975-M1030 PolarHBondContact O-N 2.77Å |
| 976 | N | 93.7 | Very high | 88.5 | Confident | 1 Ų | 1 | 13.7 Ų | 13.7 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 144.2 | 171 | 64.6 | -54.1 | 0 | 0 | 0 | 109.6 | V56 I58 S68 T70 S968 S969 Y1029 | V56-N976 PolarHBondContact O-ND2 2.78Å; I58-N976 VanDerWaalsContact CD1-O 3.31Å; I58-N976 WeakPolarHBondContact CD1-O 3.38Å; S68-N976 PolarHBondContact O-ND2 2.92Å; S68-N976 WeakPolarHBondContact OG-CB 3.36Å; T70-N976 HydrophobicContact CG2-CB 3.65Å; T70-N976 VanDerWaalsContact OG1-CG 3.3Å; T70-N976 PolarHBondContact OG1-ND2 2.83Å; T70-N976 PolarHBondContact OG1-OD1 3.34Å; T70-N976 VanDerWaalsContact OG1-OD1 3.08Å; S968-N976 CarbonylContact C-O 3.58Å; S968-N976 VanDerWaalsContact CA-O 3.26Å; S968-N976 WeakPolarHBondContact CA-O 3.29Å; S968-N976 WeakPolarHBondContact CB-O 3.18Å; S969-N976 PolarHBondContact N-O 3.29Å; S969-N976 PolarHBondContact O-N 3.24Å; N976-Y1029 HydrophobicContact CB-CD2 4.33Å |
| 977 | G | 94.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.4 | -171.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S68 V967 I1027 Y1028 | S68-G977 WeakPolarHBondContact CB-O 3.1Å; V967-G977 CarbonylContact O-C 3.6Å; V967-G977 WeakPolarHBondContact O-CA 3.17Å; G977-I1027 WeakPolarHBondContact O-CA 3.48Å; G977-Y1028 VanDerWaalsContact C-CD1 3.47Å; G977-Y1028 VanDerWaalsContact C-CE1 3.46Å; G977-Y1028 PolarHBondContact N-O 2.84Å; G977-Y1028 WeakPolarHBondContact O-CD1 3.26Å; G977-Y1028 PolarHBondContact O-N 3.49Å |
| 978 | I | 92.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 134.5 | 175 | -171.1 | 172.7 | 0 | 0 | 0 | 110.2 | I58 V60 V313 V967 L980 P1025 V1026 I1027 | I58-I978 HydrophobicContact CG2-CB 4.16Å; I58-I978 HydrophobicContact CG2-CG2 3.63Å; V60-I978 HydrophobicContact CG2-CD1 3.66Å; V313-I978 HydrophobicContact CG1-CG2 3.59Å; V313-I978 HydrophobicContact CG2-CG2 4.11Å; V967-I978 HydrophobicContact CB-CG2 4.03Å; V967-I978 PolarHBondContact N-O 2.78Å; V967-I978 PolarHBondContact O-N 2.86Å; I978-L980 HydrophobicContact CD1-CD2 4.3Å; I978-P1025 HydrophobicContact CD1-CB 4.31Å; I978-V1026 CarbonylContact C-O 3.58Å; I978-V1026 WeakPolarHBondContact CA-O 3.38Å; I978-I1027 HydrophobicContact CB-CG2 4.27Å; I978-I1027 HydrophobicContact CD1-CG2 4.08Å; I978-I1027 HydrophobicContact CG1-CG2 4.07Å |
| 979 | Y | 90 | Very high | 85.5 | Confident | 22 Ų | 22 | 18.7 Ų | 18.7 | 9% | 0.086 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 131 | 166.2 | -59.3 | -55.1 | 0 | 0 | 0 | 109.8 | V964 T965 D966 P1025 V1026 Y1028 E1041 | V964-Y979 HydrophobicContact CG1-CD1 3.99Å; V964-Y979 HydrophobicContact CG1-CG 4.42Å; T965-Y979 CarbonylContact O-C 3.45Å; T965-Y979 WeakPolarHBondContact O-CA 3.17Å; D966-Y979 HydrophobicContact CB-CD1 3.71Å; D966-Y979 HydrophobicContact CB-CE1 3.74Å; D966-Y979 VanDerWaalsContact CG-CE1 3.48Å; Y979-P1025 CarbonylContact O-C 3.58Å; Y979-P1025 WeakPolarHBondContact O-CA 3.33Å; Y979-V1026 PolarHBondContact N-O 3.19Å; Y979-V1026 PolarHBondContact O-N 2.75Å; Y979-Y1028 HydrophobicContact CD1-CD1 4.21Å; Y979-Y1028 AromaticContact CD1-CE1 3.68Å; Y979-Y1028 HydrophobicContact CD1-CE1 3.68Å; Y979-Y1028 AromaticContact CD2-CD1 3.46Å; Y979-Y1028 HydrophobicContact CD2-CD1 3.46Å; Y979-Y1028 VanDerWaalsContact CD2-CD1 3.46Å; Y979-Y1028 AromaticContact CD2-CE1 3.81Å; Y979-Y1028 HydrophobicContact CD2-CE1 3.81Å; Y979-Y1028 HydrophobicContact CD2-CG 4.16Å; Y979-Y1028 HydrophobicContact CE1-CD1 4.07Å; Y979-Y1028 AromaticContact CE1-CE1 3.38Å; Y979-Y1028 HydrophobicContact CE1-CE1 3.38Å; Y979-Y1028 AromaticContact CE1-CZ 3.69Å; Y979-Y1028 AromaticContact CE2-CD1 3.32Å; Y979-Y1028 HydrophobicContact CE2-CD1 3.32Å; Y979-Y1028 HydrophobicContact CE2-CD2 4.23Å; Y979-Y1028 AromaticContact CE2-CE1 3.54Å; Y979-Y1028 HydrophobicContact CE2-CE1 3.54Å; Y979-Y1028 HydrophobicContact CE2-CE2 4.41Å; Y979-Y1028 AromaticContact CE2-CG 3.68Å; Y979-Y1028 HydrophobicContact CE2-CG 3.68Å; Y979-Y1028 AromaticContact CG-CD1 3.91Å; Y979-Y1028 HydrophobicContact CG-CD1 3.91Å; Y979-Y1028 AromaticContact CG-CE1 3.86Å; Y979-Y1028 HydrophobicContact CG-CE1 3.86Å; Y979-Y1028 AromaticContact CZ-CD1 3.63Å; Y979-Y1028 AromaticContact CZ-CE1 3.3Å; Y979-Y1028 AromaticContact CZ-CE2 3.99Å; Y979-Y1028 AromaticContact CZ-CZ 3.48Å; Y979-Y1028 VanDerWaalsContact CZ-CZ 3.48Å; Y979-E1041 WeakPolarHBondContact CE2-OE1 3.15Å |
| 980 | L | 86 | Confident | 84.2 | Confident | 12 Ų | 12 | 20.1 Ų | 20.1 | 6% | 0.063 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 101.7 | 165.1 | -54.3 | 166.4 | 0 | 0 | 0 | 106.9 | Q305 V313 V964 T965 I978 P1025 P1094 | Q305-L980 HydrophobicContact CG-CD1 3.83Å; Q305-L980 VanDerWaalsContact NE2-CD2 3.29Å; V313-L980 HydrophobicContact CG2-CD1 3.77Å; V313-L980 HydrophobicContact CG2-CD2 4.32Å; V313-L980 HydrophobicContact CG2-CG 4.31Å; V964-L980 WeakPolarHBondContact CA-O 3.34Å; T965-L980 HydrophobicContact CG2-CD1 4.26Å; T965-L980 PolarHBondContact N-O 3.29Å; T965-L980 PolarHBondContact O-N 2.78Å; I978-L980 HydrophobicContact CD1-CD2 4.3Å; L980-P1025 HydrophobicContact CD2-CB 4.11Å; L980-P1094 HydrophobicContact CD2-CB 4.48Å |
| 981 | I | 85.3 | Confident | 83.3 | Confident | 7 Ų | 7 | 19.6 Ų | 19.6 | 4% | 0.036 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 123.4 | -172.1 | -55.3 | 174.5 | 0 | 0 | 0 | 108.8 | E405 V964 S1023 R1024 V1026 | E405-I981 HydrophobicContact CG-CG2 4.03Å; V964-I981 HydrophobicContact CG1-CG1 4.32Å; V964-I981 HydrophobicContact CG2-CG1 4.29Å; V964-I981 HydrophobicContact CG2-CG2 4.3Å; I981-S1023 CarbonylContact O-C 3.47Å; I981-S1023 VanDerWaalsContact O-CA 3.29Å; I981-S1023 WeakPolarHBondContact O-CA 3.26Å; I981-R1024 HydrophobicContact CB-CG 4.32Å; I981-R1024 PolarHBondContact N-O 2.78Å; I981-R1024 PolarHBondContact O-N 2.82Å; I981-V1026 HydrophobicContact CD1-CG2 3.98Å |
| 982 | K | 84.3 | Confident | 82.2 | Confident | 31 Ų | 31 | 20.7 Ų | 20.7 | 14% | 0.135 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.8 | 168.4 | -57.9 | 172.8 | -174.5 | 176.2 | 0 | 108.8 | S962 M963 E1022 W1091 | S962-K982 CarbonylContact C-O 3.5Å; S962-K982 WeakPolarHBondContact CA-O 3.2Å; M963-K982 HydrophobicContact CB-CB 4.28Å; M963-K982 PolarHBondContact N-O 3.39Å; M963-K982 PolarHBondContact O-N 2.88Å; K982-E1022 CarbonylContact C-O 3.47Å; K982-E1022 VanDerWaalsContact CA-O 3.27Å; K982-E1022 WeakPolarHBondContact CA-O 3.3Å; K982-W1091 WeakPolarHBondContact CD-O 3.47Å; K982-W1091 WeakPolarHBondContact CE-O 3.21Å |
| 983 | N | 85.7 | Confident | 81.6 | Confident | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.027 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 127 | -174.9 | -168.5 | 54.3 | 0 | 0 | 0 | 110.8 | E405 T960 I961 S962 L1021 E1022 | E405-N983 HydrophobicContact CB-CB 4.42Å; E405-N983 HydrophobicContact CG-CB 4.29Å; T960-N983 PolarHBondContact OG1-OD1 2.76Å; I961-N983 CarbonylContact O-C 3.56Å; I961-N983 WeakPolarHBondContact O-CA 3.32Å; I961-N983 PolarHBondContact O-OD1 2.91Å; S962-N983 PolarHBondContact OG-OD1 2.68Å; N983-L1021 CarbonylContact O-C 3.59Å; N983-L1021 WeakPolarHBondContact O-CA 3.1Å; N983-E1022 HydrophobicContact CB-CB 4.28Å; N983-E1022 PolarHBondContact N-O 2.78Å; N983-E1022 PolarHBondContact O-N 2.86Å |
| 984 | I | 84.9 | Confident | 80.6 | Confident | 39 Ų | 39 | 20.5 Ų | 20.5 | 20% | 0.2 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119 | 170.5 | -56.6 | 176.6 | 0 | 0 | 0 | 106.4 | T960 I961 M963 L1019 L1021 W1091 | T960-I984 CarbonylContact C-O 3.52Å; T960-I984 WeakPolarHBondContact CA-O 3.33Å; I961-I984 HydrophobicContact CB-CB 4.36Å; I961-I984 PolarHBondContact N-O 3.34Å; I961-I984 PolarHBondContact O-N 2.9Å; M963-I984 HydrophobicContact CE-CD1 4.23Å; I984-L1019 HydrophobicContact CG2-CD1 3.97Å; I984-L1021 HydrophobicContact CB-CD2 4.23Å; I984-L1021 HydrophobicContact CG1-CD2 3.91Å; I984-L1021 HydrophobicContact CG2-CD2 3.9Å; I984-W1091 HydrophobicContact CD1-CH2 3.83Å; I984-W1091 HydrophobicContact CD1-CZ3 4.18Å; I984-W1091 HydrophobicContact CG1-CH2 3.32Å; I984-W1091 HydrophobicContact CG1-CZ2 4.11Å; I984-W1091 HydrophobicContact CG1-CZ3 4.17Å |
| 985 | K | 87.7 | Confident | 79.4 | Confident | 42 Ų | 42 | 20.4 Ų | 20.4 | 18% | 0.183 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 118.9 | 170.1 | 178.9 | -175.1 | -178.6 | -177.1 | 0 | 108.3 | T402 T959 L1019 K1020 | T402-K985 VanDerWaalsContact CB-CE 3.46Å; T402-K985 WeakPolarHBondContact OG1-CE 3.29Å; T402-K985 PolarHBondContact OG1-NZ 3.42Å; T959-K985 CarbonylContact O-C 3.56Å; T959-K985 WeakPolarHBondContact O-CA 3.33Å; K985-L1019 CarbonylContact O-C 3.54Å; K985-L1019 WeakPolarHBondContact O-CA 3.4Å; K985-K1020 HydrophobicContact CB-CB 4.27Å; K985-K1020 PolarHBondContact N-O 2.9Å; K985-K1020 PolarHBondContact O-N 2.93Å |
| 986 | A | 79.3 | Confident | 78 | Confident | 25 Ų | 25 | 23.3 Ų | 23.3 | 21% | 0.207 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 140.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | S958 T959 L1018 L1019 | S958-A986 CarbonylContact C-O 3.14Å; S958-A986 VanDerWaalsContact CA-O 3.23Å; S958-A986 WeakPolarHBondContact CA-O 3.35Å; T959-A986 HydrophobicContact CG2-CB 3.79Å; T959-A986 PolarHBondContact N-O 3.47Å; T959-A986 PolarHBondContact O-N 2.75Å; A986-L1018 CarbonylContact C-O 3.54Å; A986-L1018 WeakPolarHBondContact CA-O 3.24Å; A986-L1019 HydrophobicContact CB-CD1 4.03Å |
| 987 | T | 78.7 | Confident | 76.6 | Confident | 6 Ų | 6 | 24.3 Ų | 24.3 | 4% | 0.037 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 118.6 | 179.4 | -60.7 | 0 | 0 | 0 | 0 | 109.8 | T402 R956 I957 L1018 | T402-T987 HydrophobicContact CG2-CG2 3.7Å; T402-T987 WeakPolarHBondContact CG2-OG1 3.47Å; R956-T987 HydrophobicContact CG-CG2 4.28Å; I957-T987 CarbonylContact O-C 3.51Å; I957-T987 WeakPolarHBondContact O-CA 3.34Å; T987-L1018 PolarHBondContact N-O 3.42Å; T987-L1018 WeakPolarHBondContact O-CA 3.5Å; T987-L1018 WeakPolarHBondContact O-CD2 3.45Å |
| 988 | V | 70.4 | Confident | 74.9 | Confident | 80 Ų | 80 | 29.1 Ų | 29.1 | 49% | 0.485 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 104.1 | 178.1 | -176.2 | 0 | 0 | 0 | 0 | 107.9 | I957 V990 | I957-V988 PolarHBondContact N-O 3.39Å; I957-V988 PolarHBondContact O-N 3.49Å; V988-V990 HydrophobicContact CG1-CG2 4.33Å |
| 989 | P | 66.3 | Low | 73.3 | Confident | 22 Ų | 22 | 36.5 Ų | 36.5 | 14% | 0.143 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 138.7 | 169.7 | 34.8 | -33.3 | 0 | 0 | 0 | 110.2 | R956 H1012 K1016 | R956-P989 HydrophobicContact CG-CB 4.38Å; P989-H1012 VanDerWaalsContact CB-CD2 3.44Å; P989-H1012 WeakPolarHBondContact CB-CD2 3.36Å; P989-K1016 HydrophobicContact CB-CD 4.48Å; P989-K1016 HydrophobicContact CG-CD 4.28Å |
| 990 | V | 66.8 | Low | 71.5 | Confident | 34 Ų | 34 | 44.8 Ų | 44.8 | 21% | 0.206 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 117.1 | -179.6 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | R954 A955 V988 M992 | R954-V990 CarbonylContact C-O 3.46Å; R954-V990 WeakPolarHBondContact CA-O 3.37Å; A955-V990 HydrophobicContact CB-CB 4.33Å; A955-V990 PolarHBondContact N-O 2.84Å; A955-V990 WeakPolarHBondContact O-CA 3.48Å; A955-V990 PolarHBondContact O-N 3.46Å; V988-V990 HydrophobicContact CG1-CG2 4.33Å; V990-M992 HydrophobicContact CG1-CG 4.09Å; V990-M992 HydrophobicContact CG1-SD 3.89Å |
| 991 | D | 71.3 | Confident | 70 | Confident | 33 Ų | 33 | 50.4 Ų | 50.4 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 103.2 | 172 | -169.8 | -11.4 | 0 | 0 | 0 | 107.8 | R954 R1010 | R954-D991 HydrophobicContact CG-CB 4.42Å; R954-D991 WeakPolarHBondContact CG-OD1 3.49Å; D991-R1010 HydrophobicContact CB-CB 4.23Å; D991-R1010 PolarHBondContact O-N 3.41Å |
| 992 | M | 64.3 | Low | 68.6 | Low | 39 Ų | 39 | 54.6 Ų | 54.6 | 19% | 0.192 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 139.4 | -172.1 | 67.8 | -176.2 | -54.3 | 0 | 0 | 112 | I953 V990 I994 I1007 Q1008 M1009 | I953-M992 HydrophobicContact CB-CG 3.69Å; I953-M992 HydrophobicContact CB-SD 4.36Å; I953-M992 HydrophobicContact CD1-CG 4.28Å; I953-M992 HydrophobicContact CD1-SD 4.11Å; I953-M992 HydrophobicContact CG1-CG 4.39Å; I953-M992 HydrophobicContact CG2-CG 4.36Å; I953-M992 PolarHBondContact N-O 3.31Å; I953-M992 PolarHBondContact O-N 2.89Å; V990-M992 HydrophobicContact CG1-CG 4.09Å; V990-M992 HydrophobicContact CG1-SD 3.89Å; M992-I994 HydrophobicContact CE-CD1 3.64Å; M992-I994 HydrophobicContact CE-CG1 3.69Å; M992-I1007 HydrophobicContact CE-CG2 4.1Å; M992-Q1008 CarbonylContact C-O 3.59Å; M992-Q1008 VanDerWaalsContact CA-O 3.28Å; M992-Q1008 WeakPolarHBondContact CA-O 3.43Å; M992-M1009 HydrophobicContact CB-CG 4.38Å |
| 993 | T | 68.1 | Low | 67.2 | Low | 4 Ų | 4 | 57.9 Ų | 57.9 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 121.9 | 170 | -56.4 | 0 | 0 | 0 | 0 | 107.9 | A951 D952 I1007 Q1008 R1010 | A951-T993 CarbonylContact O-C 3.53Å; D952-T993 VanDerWaalsContact OD1-CB 3.23Å; D952-T993 WeakPolarHBondContact OD1-CB 3.25Å; D952-T993 WeakPolarHBondContact OD1-CG2 3.37Å; D952-T993 PolarHBondContact OD1-OG1 3.12Å; T993-I1007 CarbonylContact O-C 3.45Å; T993-I1007 WeakPolarHBondContact O-CA 3.32Å; T993-Q1008 PolarHBondContact N-O 3.09Å; T993-Q1008 PolarHBondContact O-N 3.06Å; T993-R1010 PolarHBondContact OG1-NH2 3.23Å |
| 994 | I | 62.6 | Low | 66.2 | Low | 17 Ų | 17 | 60.1 Ų | 60.1 | 9% | 0.087 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118.7 | 173.6 | -54.5 | 174.7 | 0 | 0 | 0 | 107.3 | Q950 A951 I953 M992 L1005 K1006 I1007 | Q950-I994 CarbonylContact C-O 3.49Å; Q950-I994 WeakPolarHBondContact CA-O 3.16Å; A951-I994 HydrophobicContact CB-CB 4.35Å; A951-I994 PolarHBondContact N-O 3.15Å; A951-I994 PolarHBondContact O-N 3.34Å; I953-I994 HydrophobicContact CD1-CD1 3.97Å; M992-I994 HydrophobicContact CE-CD1 3.64Å; M992-I994 HydrophobicContact CE-CG1 3.69Å; I994-L1005 HydrophobicContact CG2-CD1 3.73Å; I994-K1006 CarbonylContact C-O 3.26Å; I994-K1006 WeakPolarHBondContact CA-O 3.39Å; I994-I1007 HydrophobicContact CG2-CG1 4.34Å |
| 995 | S | 63 | Low | 65.1 | Low | 8 Ų | 8 | 59.8 Ų | 59.8 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 127.3 | 177 | -36.9 | 0 | 0 | 0 | 0 | 109.3 | I949 L1005 K1006 | I949-S995 CarbonylContact O-C 3.56Å; I949-S995 VanDerWaalsContact O-CA 3.3Å; I949-S995 WeakPolarHBondContact O-CA 3.35Å; S995-L1005 CarbonylContact O-C 3.51Å; S995-L1005 WeakPolarHBondContact O-CA 3.49Å; S995-K1006 PolarHBondContact N-O 3.05Å; S995-K1006 PolarHBondContact O-N 3.25Å |
| 996 | L | 62.1 | Low | 64 | Low | 63 Ų | 63 | 60.2 Ų | 60.2 | 33% | 0.33 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 104.1 | 175.8 | -173.6 | 79.7 | 0 | 0 | 0 | 109.1 | P948 I949 Q1004 L1005 | P948-L996 CarbonylContact C-O 3.51Å; P948-L996 VanDerWaalsContact CA-O 3.27Å; P948-L996 WeakPolarHBondContact CA-O 3.46Å; I949-L996 HydrophobicContact CB-CB 4.35Å; I949-L996 PolarHBondContact N-O 2.8Å; I949-L996 PolarHBondContact O-N 3.05Å; L996-Q1004 CarbonylContact C-O 3.54Å; L996-Q1004 WeakPolarHBondContact CA-O 3.36Å; L996-L1005 HydrophobicContact CD1-CB 4.26Å; L996-L1005 HydrophobicContact CD1-CD1 4Å |
| 997 | D | 64.8 | Low | 63 | Low | 22 Ų | 22 | 61.2 Ų | 61.2 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 114.3 | 167.5 | -148.5 | -29.6 | 0 | 0 | 0 | 108.1 | I947 P948 R999 E1003 Q1004 | I947-D997 WeakPolarHBondContact CG2-OD1 3.38Å; P948-D997 HydrophobicContact CB-CB 3.72Å; D997-R999 WeakPolarHBondContact OD1-CG 3.13Å; D997-R999 IonicContact OD1-CZ 2.85Å; D997-R999 IonicContact OD1-NE 3.59Å; D997-R999 PolarHBondContact OD1-NE 2.99Å; D997-R999 IonicContact OD1-NH2 3.85Å; D997-R999 IonicContact OD2-CZ 3.33Å; D997-R999 IonicContact OD2-NE 3.11Å; D997-R999 PolarHBondContact OD2-NE 3.25Å; D997-R999 IonicContact OD2-NH2 3.4Å; D997-R999 PolarHBondContact OD2-NH2 3.44Å; D997-E1003 WeakPolarHBondContact O-CA 3.5Å; D997-Q1004 HydrophobicContact CB-CB 4.04Å; D997-Q1004 PolarHBondContact N-O 2.83Å; D997-Q1004 PolarHBondContact O-N 3.12Å |
| 998 | H | 59 | Low | 62.4 | Low | 100 Ų | 100 | 62.2 Ų | 62.2 | 46% | 0.463 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 91 | 173.8 | -176.5 | 77.7 | 0 | 0 | 0 | 107.4 | E1003 | H998-E1003 IonicContact CE1-OE1 2.7Å; H998-E1003 PolarHBondContact CE1-OE1 2.77Å; H998-E1003 IonicContact ND1-OE1 3.96Å; H998-E1003 PolarHBondContact ND1-OE1 3.42Å |
| 999 | R | 59.1 | Low | 61.9 | Low | 155 Ų | 155 | 62.1 Ų | 62.1 | 59% | 0.585 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 146.8 | 166.7 | -64.4 | 177.9 | -153.4 | -167.7 | 7.7 | 107.2 | I947 D997 E1001 D1002 | I947-R999 HydrophobicContact CG2-CG 4.48Å; D997-R999 WeakPolarHBondContact OD1-CG 3.13Å; D997-R999 IonicContact OD1-CZ 2.85Å; D997-R999 IonicContact OD1-NE 3.59Å; D997-R999 PolarHBondContact OD1-NE 2.99Å; D997-R999 IonicContact OD1-NH2 3.85Å; D997-R999 IonicContact OD2-CZ 3.33Å; D997-R999 IonicContact OD2-NE 3.11Å; D997-R999 PolarHBondContact OD2-NE 3.25Å; D997-R999 IonicContact OD2-NH2 3.4Å; D997-R999 PolarHBondContact OD2-NH2 3.44Å; R999-E1001 PolarHBondContact O-N 3.33Å; R999-D1002 PolarHBondContact N-O 3.4Å; R999-D1002 PolarHBondContact O-N 2.95Å |
| 1000 | Q | 52.9 | Low | 61.7 | Low | 196 Ų | 196 | 66.2 Ų | 66.2 | 92% | 0.916 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.7 | -16.8 | -169.9 | -83.4 | -178.4 | -26.5 | 0 | 0 | 116.3 | ||
| 1001 | E | 53.3 | Low | 61.3 | Low | 130 Ų | 130 | 66.5 Ų | 66.5 | 61% | 0.607 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | -16.7 | -175.5 | -62.4 | -179.9 | 164.5 | 0 | 0 | 114.2 | R999 | R999-E1001 PolarHBondContact O-N 3.33Š|
| 1002 | D | 55.2 | Low | 60.8 | Low | 96 Ų | 96 | 67.7 Ų | 67.7 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 115.6 | -177.6 | -84.6 | -39.1 | 0 | 0 | 0 | 111 | R999 | R999-D1002 PolarHBondContact N-O 3.4Å; R999-D1002 PolarHBondContact O-N 2.95Å |
| 1003 | E | 56.7 | Low | 60.3 | Low | 100 Ų | 100 | 72 Ų | 72 | 47% | 0.467 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 121.8 | 172.9 | -65.7 | -172.7 | 163.7 | 0 | 0 | 110.4 | D997 H998 R1124 S1125 | D997-E1003 WeakPolarHBondContact O-CA 3.5Å; H998-E1003 IonicContact CE1-OE1 2.7Å; H998-E1003 PolarHBondContact CE1-OE1 2.77Å; H998-E1003 IonicContact ND1-OE1 3.96Å; H998-E1003 PolarHBondContact ND1-OE1 3.42Å; E1003-R1124 CarbonylContact O-C 3.49Å; E1003-R1124 VanDerWaalsContact O-CA 3.27Å; E1003-R1124 WeakPolarHBondContact O-CA 3.24Å; E1003-S1125 PolarHBondContact N-O 3.14Å; E1003-S1125 VanDerWaalsContact N-O 3.11Å; E1003-S1125 PolarHBondContact O-N 3.03Å |
| 1004 | Q | 63.6 | Low | 59.7 | Low | 51 Ų | 51 | 73.9 Ų | 73.9 | 24% | 0.238 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 116.4 | 177.2 | 179.8 | 171.5 | -4.2 | 0 | 0 | 111.6 | L996 D997 T1122 I1123 R1124 | L996-Q1004 CarbonylContact C-O 3.54Å; L996-Q1004 WeakPolarHBondContact CA-O 3.36Å; D997-Q1004 HydrophobicContact CB-CB 4.04Å; D997-Q1004 PolarHBondContact N-O 2.83Å; D997-Q1004 PolarHBondContact O-N 3.12Å; Q1004-T1122 HydrophobicContact CG-CG2 3.71Å; Q1004-I1123 CarbonylContact C-O 3.39Å; Q1004-I1123 WeakPolarHBondContact CA-O 3.14Å; Q1004-R1124 HydrophobicContact CB-CG 4.12Å; Q1004-R1124 HydrophobicContact CG-CG 3.86Å |
| 1005 | L | 62.2 | Low | 59.4 | Low | 32 Ų | 32 | 79.9 Ų | 79.9 | 17% | 0.168 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 112.6 | 168.5 | 176.9 | 66.3 | 0 | 0 | 0 | 109.5 | L888 I994 S995 L996 I1007 T1122 I1123 | L888-L1005 HydrophobicContact CD1-CD2 4.36Å; I994-L1005 HydrophobicContact CG2-CD1 3.73Å; S995-L1005 CarbonylContact O-C 3.51Å; S995-L1005 WeakPolarHBondContact O-CA 3.49Å; L996-L1005 HydrophobicContact CD1-CB 4.26Å; L996-L1005 HydrophobicContact CD1-CD1 4Å; L1005-I1007 HydrophobicContact CD1-CG1 4.37Å; L1005-I1007 HydrophobicContact CD2-CD1 4.26Å; L1005-I1007 HydrophobicContact CG-CD1 4.48Å; L1005-I1007 HydrophobicContact CG-CG1 4.24Å; L1005-T1122 CarbonylContact O-C 3.54Å; L1005-T1122 WeakPolarHBondContact O-CA 3.28Å; L1005-I1123 HydrophobicContact CB-CB 4.47Å; L1005-I1123 PolarHBondContact N-O 3.15Å; L1005-I1123 PolarHBondContact O-N 3.24Å |
| 1006 | K | 64.3 | Low | 59.5 | Low | 51 Ų | 51 | 82.9 Ų | 82.9 | 22% | 0.222 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 112 | 175.9 | -172.6 | 175.2 | -163.7 | -175.1 | 0 | 110.7 | I994 S995 Q1008 L1121 T1122 E1137 | I994-K1006 CarbonylContact C-O 3.26Å; I994-K1006 WeakPolarHBondContact CA-O 3.39Å; S995-K1006 PolarHBondContact N-O 3.05Å; S995-K1006 PolarHBondContact O-N 3.25Å; K1006-Q1008 HydrophobicContact CD-CG 4.33Å; K1006-Q1008 HydrophobicContact CG-CG 4.05Å; K1006-L1121 CarbonylContact C-O 3.55Å; K1006-L1121 WeakPolarHBondContact CA-O 3.46Å; K1006-T1122 WeakPolarHBondContact CG-OG1 3.45Å; K1006-E1137 IonicContact NZ-OE2 3.3Å |
| 1007 | I | 59.4 | Low | 59.8 | Low | 47 Ų | 47 | 81.8 Ų | 81.8 | 24% | 0.241 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116.2 | 173.8 | -56.6 | 172.1 | 0 | 0 | 0 | 108.2 | M992 T993 I994 L1005 G1120 L1121 | M992-I1007 HydrophobicContact CE-CG2 4.1Å; T993-I1007 CarbonylContact O-C 3.45Å; T993-I1007 WeakPolarHBondContact O-CA 3.32Å; I994-I1007 HydrophobicContact CG2-CG1 4.34Å; L1005-I1007 HydrophobicContact CD1-CG1 4.37Å; L1005-I1007 HydrophobicContact CD2-CD1 4.26Å; L1005-I1007 HydrophobicContact CG-CD1 4.48Å; L1005-I1007 HydrophobicContact CG-CG1 4.24Å; I1007-G1120 CarbonylContact O-C 3.55Å; I1007-G1120 WeakPolarHBondContact O-CA 3.06Å; I1007-L1121 PolarHBondContact N-O 3.33Å; I1007-L1121 PolarHBondContact O-N 3.33Å |
| 1008 | Q | 64.1 | Low | 60.3 | Low | 27 Ų | 27 | 82.8 Ų | 82.8 | 13% | 0.126 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 121.1 | 176.3 | -63.1 | -179.3 | -55.5 | 0 | 0 | 109.6 | M992 T993 K1006 V1119 | M992-Q1008 CarbonylContact C-O 3.59Å; M992-Q1008 VanDerWaalsContact CA-O 3.28Å; M992-Q1008 WeakPolarHBondContact CA-O 3.43Å; T993-Q1008 PolarHBondContact N-O 3.09Å; T993-Q1008 PolarHBondContact O-N 3.06Å; K1006-Q1008 HydrophobicContact CD-CG 4.33Å; K1006-Q1008 HydrophobicContact CG-CG 4.05Å; Q1008-V1119 WeakPolarHBondContact CA-O 2.72Å |
| 1009 | M | 60.7 | Low | 61.2 | Low | 77 Ų | 77 | 81.2 Ų | 81.2 | 38% | 0.379 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126 | 170 | -65.9 | -171.1 | 73.2 | 0 | 0 | 109.1 | M992 F1064 V1119 | M992-M1009 HydrophobicContact CB-CG 4.38Å; M1009-F1064 HydrophobicContact SD-CE1 4.3Å; M1009-V1119 PolarHBondContact N-O 3.38Å; M1009-V1119 PolarHBondContact O-N 2.75Å |
| 1010 | R | 63.2 | Low | 62.3 | Low | 108 Ų | 108 | 76.2 Ų | 76.2 | 41% | 0.408 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 129.5 | 176.8 | -62.5 | -176.4 | -172.2 | -172.6 | 6.1 | 108.9 | D952 D991 T993 H1012 | D952-R1010 IonicContact OD1-NH2 3.99Å; D991-R1010 HydrophobicContact CB-CB 4.23Å; D991-R1010 PolarHBondContact O-N 3.41Å; T993-R1010 PolarHBondContact OG1-NH2 3.23Å; R1010-H1012 PolarHBondContact O-N 2.85Å |
| 1011 | N | 58.1 | Low | 63.5 | Low | 40 Ų | 40 | 68.6 Ų | 68.6 | 21% | 0.214 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 121.3 | 176.7 | -91 | -17 | 0 | 0 | 0 | 110.3 | E1013 F1064 S1066 | N1011-E1013 PolarHBondContact O-N 2.9Å; N1011-F1064 PolarHBondContact ND2-O 2.89Å; N1011-F1064 PolarHBondContact OD1-O 3.46Å; N1011-S1066 PolarHBondContact ND2-OG 2.86Å; N1011-S1066 PolarHBondContact OD1-OG 3.46Å |
| 1012 | H | 59.3 | Low | 64.7 | Low | 59 Ų | 59 | 65 Ų | 65 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 133.9 | -177.6 | -141.4 | -59.6 | 0 | 0 | 0 | 111 | P989 R1010 G1014 K1016 | P989-H1012 VanDerWaalsContact CB-CD2 3.44Å; P989-H1012 WeakPolarHBondContact CB-CD2 3.36Å; R1010-H1012 PolarHBondContact O-N 2.85Å; H1012-G1014 PolarHBondContact O-N 2.92Å; H1012-K1016 PolarHBondContact CE1-NZ 2.9Å; H1012-K1016 PolarHBondContact NE2-NZ 2.93Å |
| 1013 | E | 54.4 | Low | 65.8 | Low | 129 Ų | 129 | 60.7 Ų | 60.7 | 60% | 0.603 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -75 | 117.7 | 175.7 | -33.7 | -147.7 | 107.6 | 0 | 0 | 109.2 | N1011 R1105 | N1011-E1013 PolarHBondContact O-N 2.9Å; E1013-R1105 VanDerWaalsContact CD-NH2 3.33Å; E1013-R1105 IonicContact OE1-CZ 3.97Å; E1013-R1105 IonicContact OE1-NH1 3.84Å; E1013-R1105 PolarHBondContact OE1-NH1 3.46Å; E1013-R1105 IonicContact OE1-NH2 2.92Å; E1013-R1105 PolarHBondContact OE1-NH2 3.31Å |
| 1014 | G | 56.3 | Low | 67 | Low | 43 Ų | 43 | 59.6 Ų | 59.6 | 44% | 0.443 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 107.2 | 160.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117 | H1012 K1016 | H1012-G1014 PolarHBondContact O-N 2.92Å; G1014-K1016 PolarHBondContact O-N 3.24Å |
| 1015 | Y | 54.9 | Low | 67.9 | Low | 143 Ų | 143 | 57.2 Ų | 57.2 | 56% | 0.561 | 27% | 0.273 | S | S | * | . | trans | -69.3 | 110.9 | 174.9 | -64.2 | -97.1 | 0 | 0 | 0 | 109.6 | Y1102 R1104 | Y1015-Y1102 AromaticContact CD1-CD2 3.59Å; Y1015-Y1102 HydrophobicContact CD1-CD2 3.59Å; Y1015-Y1102 AromaticContact CD1-CE2 3.54Å; Y1015-Y1102 HydrophobicContact CD1-CE2 3.54Å; Y1015-Y1102 HydrophobicContact CE1-CD2 4.24Å; Y1015-Y1102 AromaticContact CE1-CE2 3.76Å; Y1015-Y1102 HydrophobicContact CE1-CE2 3.76Å; Y1015-R1104 HydrophobicContact CD1-CB 3.84Å; Y1015-R1104 HydrophobicContact CE1-CB 3.46Å; Y1015-R1104 VanDerWaalsContact CE1-CB 3.46Å; Y1015-R1104 HydrophobicContact CE1-CG 4.36Å | ||
| 1016 | K | 64.9 | Low | 69.2 | Low | 71 Ų | 71 | 55.7 Ų | 55.7 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.9 | 168.4 | -74.8 | -174.9 | 179.1 | 176.4 | 0 | 110 | P989 H1012 G1014 L1018 Y1102 M1103 | P989-K1016 HydrophobicContact CB-CD 4.48Å; P989-K1016 HydrophobicContact CG-CD 4.28Å; H1012-K1016 PolarHBondContact CE1-NZ 2.9Å; H1012-K1016 PolarHBondContact NE2-NZ 2.93Å; G1014-K1016 PolarHBondContact O-N 3.24Å; K1016-L1018 PolarHBondContact O-N 3.29Å; K1016-L1018 VanDerWaalsContact O-N 3.12Å; K1016-Y1102 VanDerWaalsContact O-CA 3.29Å; K1016-Y1102 WeakPolarHBondContact O-CA 3.35Å; K1016-Y1102 WeakPolarHBondContact O-CB 3.46Å; K1016-M1103 PolarHBondContact O-N 3.24Å |
| 1017 | D | 70.4 | Confident | 70.6 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 21% | 0.214 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 110.5 | 170.2 | -70.6 | -22.1 | 0 | 0 | 0 | 108.4 | K1020 R1071 A1101 | D1017-K1020 HydrophobicContact CB-CB 4.39Å; D1017-R1071 IonicContact OD1-NH2 3.03Å; D1017-A1101 CarbonylContact C-O 3.6Å |
| 1018 | L | 75 | Confident | 72.2 | Confident | 44 Ų | 44 | 51 Ų | 51 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | -39.8 | 174 | -65.8 | 177.1 | 0 | 0 | 0 | 111.4 | A986 T987 K1016 A1101 M1103 | A986-L1018 CarbonylContact C-O 3.54Å; A986-L1018 WeakPolarHBondContact CA-O 3.24Å; T987-L1018 PolarHBondContact N-O 3.42Å; T987-L1018 WeakPolarHBondContact O-CA 3.5Å; T987-L1018 WeakPolarHBondContact O-CD2 3.45Å; K1016-L1018 PolarHBondContact O-N 3.29Å; K1016-L1018 VanDerWaalsContact O-N 3.12Å; L1018-A1101 WeakPolarHBondContact CA-O 3.46Å; L1018-A1101 PolarHBondContact N-O 2.93Å; L1018-M1103 HydrophobicContact CD1-CB 4.27Å |
| 1019 | L | 76.5 | Confident | 73.7 | Confident | 67 Ų | 67 | 50 Ų | 50 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 123.1 | 175.9 | 179 | 68.8 | 0 | 0 | 0 | 108.2 | I984 K985 A986 L1021 S1100 A1101 | I984-L1019 HydrophobicContact CG2-CD1 3.97Å; K985-L1019 CarbonylContact O-C 3.54Å; K985-L1019 WeakPolarHBondContact O-CA 3.4Å; A986-L1019 HydrophobicContact CB-CD1 4.03Å; L1019-L1021 HydrophobicContact CD1-CD2 3.97Å; L1019-L1021 HydrophobicContact CD1-CG 4.46Å; L1019-L1021 HydrophobicContact CD2-CD1 4.3Å; L1019-L1021 HydrophobicContact CD2-CD2 4.39Å; L1019-L1021 HydrophobicContact CD2-CG 4.23Å; L1019-L1021 HydrophobicContact CG-CD2 4.15Å; L1019-L1021 HydrophobicContact CG-CG 4.09Å; L1019-S1100 CarbonylContact O-C 3.47Å; L1019-S1100 VanDerWaalsContact O-CA 3.26Å; L1019-S1100 WeakPolarHBondContact O-CA 3.34Å; L1019-A1101 HydrophobicContact CB-CB 4.31Å; L1019-A1101 PolarHBondContact N-O 3.45Å; L1019-A1101 PolarHBondContact O-N 3.28Å |
| 1020 | K | 82 | Confident | 75 | Confident | 50 Ų | 50 | 47.7 Ų | 47.7 | 22% | 0.217 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122.8 | 174.9 | -167.7 | -172.8 | -171.3 | -151.5 | 0 | 108.7 | K985 D1017 E1022 I1099 | K985-K1020 HydrophobicContact CB-CB 4.27Å; K985-K1020 PolarHBondContact N-O 2.9Å; K985-K1020 PolarHBondContact O-N 2.93Å; D1017-K1020 HydrophobicContact CB-CB 4.39Å; K1020-E1022 HydrophobicContact CD-CG 4.37Å; K1020-E1022 WeakPolarHBondContact CE-OE1 3.27Å; K1020-E1022 HydrophobicContact CG-CG 4.18Å; K1020-E1022 IonicContact NZ-OE1 2.85Å; K1020-E1022 PolarHBondContact NZ-OE1 2.86Å; K1020-E1022 IonicContact NZ-OE2 3.93Å; K1020-E1022 PolarHBondContact NZ-OE2 2.81Å; K1020-I1099 CarbonylContact C-O 3.56Å; K1020-I1099 WeakPolarHBondContact CA-O 3.27Å |
| 1021 | L | 78.3 | Confident | 75.8 | Confident | 36 Ų | 36 | 48.4 Ų | 48.4 | 19% | 0.188 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 111.5 | -177.4 | -66 | -174.5 | 0 | 0 | 0 | 107.7 | N983 I984 L1019 W1091 T1098 I1099 | N983-L1021 CarbonylContact O-C 3.59Å; N983-L1021 WeakPolarHBondContact O-CA 3.1Å; I984-L1021 HydrophobicContact CB-CD2 4.23Å; I984-L1021 HydrophobicContact CG1-CD2 3.91Å; I984-L1021 HydrophobicContact CG2-CD2 3.9Å; L1019-L1021 HydrophobicContact CD1-CD2 3.97Å; L1019-L1021 HydrophobicContact CD1-CG 4.46Å; L1019-L1021 HydrophobicContact CD2-CD1 4.3Å; L1019-L1021 HydrophobicContact CD2-CD2 4.39Å; L1019-L1021 HydrophobicContact CD2-CG 4.23Å; L1019-L1021 HydrophobicContact CG-CD2 4.15Å; L1019-L1021 HydrophobicContact CG-CG 4.09Å; L1021-W1091 HydrophobicContact CB-CZ2 3.48Å; L1021-W1091 VanDerWaalsContact CB-CZ2 3.48Å; L1021-W1091 HydrophobicContact CD1-CZ2 4.38Å; L1021-W1091 HydrophobicContact CD2-CH2 3.92Å; L1021-W1091 HydrophobicContact CD2-CZ2 3.54Å; L1021-W1091 HydrophobicContact CG-CZ2 3.98Å; L1021-T1098 CarbonylContact O-C 3.3Å; L1021-T1098 WeakPolarHBondContact O-CA 3.42Å; L1021-I1099 HydrophobicContact CB-CB 4.26Å; L1021-I1099 PolarHBondContact N-O 2.72Å; L1021-I1099 PolarHBondContact O-N 3.19Å |
| 1022 | E | 80.2 | Confident | 76.3 | Confident | 54 Ų | 54 | 48.1 Ų | 48.1 | 25% | 0.252 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 139.3 | -177.8 | -69.8 | -179.7 | 131.4 | 0 | 0 | 111.9 | K982 N983 K1020 V1097 T1098 | K982-E1022 CarbonylContact C-O 3.47Å; K982-E1022 VanDerWaalsContact CA-O 3.27Å; K982-E1022 WeakPolarHBondContact CA-O 3.3Å; N983-E1022 HydrophobicContact CB-CB 4.28Å; N983-E1022 PolarHBondContact N-O 2.78Å; N983-E1022 PolarHBondContact O-N 2.86Å; K1020-E1022 HydrophobicContact CD-CG 4.37Å; K1020-E1022 WeakPolarHBondContact CE-OE1 3.27Å; K1020-E1022 HydrophobicContact CG-CG 4.18Å; K1020-E1022 IonicContact NZ-OE1 2.85Å; K1020-E1022 PolarHBondContact NZ-OE1 2.86Å; K1020-E1022 IonicContact NZ-OE2 3.93Å; K1020-E1022 PolarHBondContact NZ-OE2 2.81Å; E1022-V1097 CarbonylContact C-O 3.6Å; E1022-V1097 WeakPolarHBondContact CA-O 3.13Å; E1022-T1098 HydrophobicContact CG-CG2 3.88Å |
| 1023 | S | 78.2 | Confident | 76.5 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.2 | 168 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | I981 N1095 K1096 V1097 | I981-S1023 CarbonylContact O-C 3.47Å; I981-S1023 VanDerWaalsContact O-CA 3.29Å; I981-S1023 WeakPolarHBondContact O-CA 3.26Å; S1023-N1095 CarbonylContact C-O 3.52Å; S1023-N1095 PolarHBondContact OG-O 3Å; S1023-K1096 VanDerWaalsContact O-CA 3.28Å; S1023-K1096 WeakPolarHBondContact O-CA 3.4Å; S1023-V1097 PolarHBondContact N-O 2.97Å; S1023-V1097 PolarHBondContact O-N 3Å; S1023-V1097 VanDerWaalsContact O-N 3.12Å |
| 1024 | R | 80.1 | Confident | 76.8 | Confident | 76 Ų | 76 | 44.9 Ų | 44.9 | 29% | 0.287 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 135.3 | 170.8 | 60.8 | -179.8 | 179.2 | 143.5 | -1 | 112.8 | E405 I981 V1026 T1043 | E405-R1024 IonicContact OE2-CZ 2.73Å; E405-R1024 IonicContact OE2-NH2 3.36Å; E405-R1024 PolarHBondContact OE2-NH2 3.34Å; I981-R1024 HydrophobicContact CB-CG 4.32Å; I981-R1024 PolarHBondContact N-O 2.78Å; I981-R1024 PolarHBondContact O-N 2.82Å; R1024-V1026 HydrophobicContact CG-CG2 4.17Å; R1024-T1043 HydrophobicContact CB-CG2 4.18Å |
| 1025 | P | 83.5 | Confident | 76.8 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 137.9 | 163.3 | 32.7 | -38 | 0 | 0 | 0 | 111.7 | I978 Y979 L980 T1043 V1044 P1094 | I978-P1025 HydrophobicContact CD1-CB 4.31Å; Y979-P1025 CarbonylContact O-C 3.58Å; Y979-P1025 WeakPolarHBondContact O-CA 3.33Å; L980-P1025 HydrophobicContact CD2-CB 4.11Å; P1025-T1043 WeakPolarHBondContact O-CA 3.22Å; P1025-T1043 WeakPolarHBondContact O-CG2 3.35Å; P1025-V1044 HydrophobicContact CB-CB 4.07Å; P1025-V1044 HydrophobicContact CB-CG2 4.44Å; P1025-V1044 HydrophobicContact CG-CB 3.73Å; P1025-V1044 HydrophobicContact CG-CG1 4.36Å; P1025-V1044 PolarHBondContact O-N 3.24Å; P1025-P1094 HydrophobicContact CB-CB 4.45Å; P1025-P1094 WeakPolarHBondContact CD-O 3.47Å; P1025-P1094 HydrophobicContact CG-CB 4.48Å; P1025-P1094 VanDerWaalsContact CG-O 3.25Å; P1025-P1094 WeakPolarHBondContact CG-O 3.25Å |
| 1026 | V | 89.1 | Confident | 77 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 111.3 | 178.1 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | I978 Y979 I981 R1024 E1041 K1042 | I978-V1026 CarbonylContact C-O 3.58Å; I978-V1026 WeakPolarHBondContact CA-O 3.38Å; Y979-V1026 PolarHBondContact N-O 3.19Å; Y979-V1026 PolarHBondContact O-N 2.75Å; I981-V1026 HydrophobicContact CD1-CG2 3.98Å; R1024-V1026 HydrophobicContact CG-CG2 4.17Å; V1026-E1041 HydrophobicContact CG1-CB 3.73Å; V1026-E1041 HydrophobicContact CG1-CG 3.94Å; V1026-K1042 CarbonylContact C-O 3.47Å; V1026-K1042 WeakPolarHBondContact CA-O 3.4Å |
| 1027 | I | 93.5 | Very high | 77.1 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 145.6 | 169.5 | 51.7 | 164.4 | 0 | 0 | 0 | 109.4 | Q66 N67 L99 G977 I978 E1041 K1042 V1044 | Q66-I1027 HydrophobicContact CB-CD1 4.47Å; N67-I1027 VanDerWaalsContact O-CD1 3.23Å; N67-I1027 WeakPolarHBondContact O-CD1 3.48Å; L99-I1027 HydrophobicContact CB-CD1 4.35Å; L99-I1027 HydrophobicContact CD2-CB 4.38Å; L99-I1027 HydrophobicContact CD2-CD1 4.21Å; L99-I1027 HydrophobicContact CD2-CG1 4.37Å; G977-I1027 WeakPolarHBondContact O-CA 3.48Å; I978-I1027 HydrophobicContact CB-CG2 4.27Å; I978-I1027 HydrophobicContact CD1-CG2 4.08Å; I978-I1027 HydrophobicContact CG1-CG2 4.07Å; I1027-E1041 WeakPolarHBondContact O-CA 3.37Å; I1027-K1042 HydrophobicContact CD1-CB 4.22Å; I1027-K1042 HydrophobicContact CG1-CB 3.95Å; I1027-K1042 WeakPolarHBondContact CG1-O 3.43Å; I1027-K1042 PolarHBondContact N-O 3.01Å; I1027-K1042 PolarHBondContact O-N 3.35Å; I1027-V1044 HydrophobicContact CB-CG2 4.26Å; I1027-V1044 HydrophobicContact CD1-CG2 4.5Å; I1027-V1044 HydrophobicContact CG1-CG2 3.95Å; I1027-V1044 HydrophobicContact CG2-CG2 3.59Å |
| 1028 | Y | 94.2 | Very high | 77.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 158.3 | -176.2 | 74.6 | -92.2 | 0 | 0 | 0 | 113.9 | S68 D966 S968 T975 G977 Y979 M1030 A1039 E1040 | S68-Y1028 PolarHBondContact OG-O 3.39Å; D966-Y1028 PolarHBondContact OD1-OH 3.07Å; D966-Y1028 PolarHBondContact OD2-OH 3.47Å; S968-Y1028 VanDerWaalsContact CB-OH 3.22Å; S968-Y1028 WeakPolarHBondContact CB-OH 3.39Å; S968-Y1028 PolarHBondContact OG-OH 3.39Å; T975-Y1028 HydrophobicContact CG2-CE2 4.14Å; G977-Y1028 VanDerWaalsContact C-CD1 3.47Å; G977-Y1028 VanDerWaalsContact C-CE1 3.46Å; G977-Y1028 PolarHBondContact N-O 2.84Å; G977-Y1028 WeakPolarHBondContact O-CD1 3.26Å; G977-Y1028 PolarHBondContact O-N 3.49Å; Y979-Y1028 HydrophobicContact CD1-CD1 4.21Å; Y979-Y1028 AromaticContact CD1-CE1 3.68Å; Y979-Y1028 HydrophobicContact CD1-CE1 3.68Å; Y979-Y1028 AromaticContact CD2-CD1 3.46Å; Y979-Y1028 HydrophobicContact CD2-CD1 3.46Å; Y979-Y1028 VanDerWaalsContact CD2-CD1 3.46Å; Y979-Y1028 AromaticContact CD2-CE1 3.81Å; Y979-Y1028 HydrophobicContact CD2-CE1 3.81Å; Y979-Y1028 HydrophobicContact CD2-CG 4.16Å; Y979-Y1028 HydrophobicContact CE1-CD1 4.07Å; Y979-Y1028 AromaticContact CE1-CE1 3.38Å; Y979-Y1028 HydrophobicContact CE1-CE1 3.38Å; Y979-Y1028 AromaticContact CE1-CZ 3.69Å; Y979-Y1028 AromaticContact CE2-CD1 3.32Å; Y979-Y1028 HydrophobicContact CE2-CD1 3.32Å; Y979-Y1028 HydrophobicContact CE2-CD2 4.23Å; Y979-Y1028 AromaticContact CE2-CE1 3.54Å; Y979-Y1028 HydrophobicContact CE2-CE1 3.54Å; Y979-Y1028 HydrophobicContact CE2-CE2 4.41Å; Y979-Y1028 AromaticContact CE2-CG 3.68Å; Y979-Y1028 HydrophobicContact CE2-CG 3.68Å; Y979-Y1028 AromaticContact CG-CD1 3.91Å; Y979-Y1028 HydrophobicContact CG-CD1 3.91Å; Y979-Y1028 AromaticContact CG-CE1 3.86Å; Y979-Y1028 HydrophobicContact CG-CE1 3.86Å; Y979-Y1028 AromaticContact CZ-CD1 3.63Å; Y979-Y1028 AromaticContact CZ-CE1 3.3Å; Y979-Y1028 AromaticContact CZ-CE2 3.99Å; Y979-Y1028 AromaticContact CZ-CZ 3.48Å; Y979-Y1028 VanDerWaalsContact CZ-CZ 3.48Å; Y1028-M1030 HydrophobicContact CD2-CG 4.14Å; Y1028-M1030 HydrophobicContact CE2-CE 3.85Å; Y1028-M1030 HydrophobicContact CE2-CG 4.34Å; Y1028-M1030 HydrophobicContact CE2-SD 4.32Å; Y1028-A1039 HydrophobicContact CD2-CB 4.17Å; Y1028-E1040 CarbonylContact C-O 3.14Å; Y1028-E1040 WeakPolarHBondContact CA-O 3.32Å; Y1028-E1040 WeakPolarHBondContact CB-O 3.42Å |
| 1029 | Y | 94.1 | Very high | 77.5 | Confident | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.3 | 171.7 | 175.9 | -92.5 | 0 | 0 | 0 | 110.4 | T70 K97 V117 T975 N976 R1031 A1039 E1040 | T70-Y1029 HydrophobicContact CG2-CD2 3.82Å; T70-Y1029 HydrophobicContact CG2-CE2 3.66Å; K97-Y1029 HydrophobicContact CB-CD2 3.92Å; K97-Y1029 HydrophobicContact CB-CE2 3.91Å; K97-Y1029 HydrophobicContact CB-CG 4.28Å; K97-Y1029 HydrophobicContact CD-CD1 3.43Å; K97-Y1029 VanDerWaalsContact CD-CD1 3.43Å; K97-Y1029 HydrophobicContact CD-CD2 4.29Å; K97-Y1029 HydrophobicContact CD-CE1 3.52Å; K97-Y1029 HydrophobicContact CD-CE2 4.35Å; K97-Y1029 HydrophobicContact CD-CG 3.86Å; V117-Y1029 WeakPolarHBondContact CG1-OH 3.3Å; V117-Y1029 HydrophobicContact CG2-CE1 4.43Å; T975-Y1029 CarbonylContact O-C 3.45Å; T975-Y1029 WeakPolarHBondContact O-CA 3.31Å; N976-Y1029 HydrophobicContact CB-CD2 4.33Å; Y1029-R1031 HydrophobicContact CE1-CB 4.36Å; Y1029-A1039 WeakPolarHBondContact O-CA 3.25Å; Y1029-E1040 PolarHBondContact N-O 2.95Å; Y1029-E1040 PolarHBondContact O-N 3.04Å |
| 1030 | M | 88.3 | Confident | 78.2 | Confident | 28 Ų | 28 | 41.7 Ų | 41.7 | 14% | 0.138 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 132.8 | 172.9 | -61.8 | -177.4 | -53.3 | 0 | 0 | 109.5 | T975 Y1028 S1032 A1039 | T975-M1030 HydrophobicContact CG2-CE 3.67Å; T975-M1030 PolarHBondContact N-O 2.75Å; T975-M1030 PolarHBondContact O-N 2.77Å; Y1028-M1030 HydrophobicContact CD2-CG 4.14Å; Y1028-M1030 HydrophobicContact CE2-CE 3.85Å; Y1028-M1030 HydrophobicContact CE2-CG 4.34Å; Y1028-M1030 HydrophobicContact CE2-SD 4.32Å; M1030-S1032 VanDerWaalsContact C-N 3.29Å; M1030-S1032 PolarHBondContact O-N 3.49Å; M1030-A1039 HydrophobicContact CG-CB 3.44Å; M1030-A1039 VanDerWaalsContact CG-CB 3.44Å; M1030-A1039 HydrophobicContact SD-CB 3.96Å |
| 1031 | R | 80.3 | Confident | 78.7 | Confident | 123 Ų | 123 | 42.4 Ų | 42.4 | 46% | 0.464 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -68.6 | -25 | 178.6 | -172.4 | 178.1 | -178 | -176.9 | 3 | 113.4 | V117 E118 I973 Y1029 | V117-R1031 HydrophobicContact CG1-CG 4.32Å; E118-R1031 PolarHBondContact O-NE 3.08Å; E118-R1031 PolarHBondContact O-NH2 3.09Å; E118-R1031 IonicContact OE2-NH2 2.77Å; I973-R1031 CarbonylContact C-O 3.52Å; Y1029-R1031 HydrophobicContact CE1-CB 4.36Å |
| 1032 | S | 69.7 | Low | 79.2 | Confident | 35 Ų | 35 | 45 Ų | 45 | 25% | 0.245 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -146.7 | 164.7 | 174.7 | 74.8 | 0 | 0 | 0 | 0 | 111 | P972 M1030 N1034 | P972-S1032 WeakPolarHBondContact O-CA 3.21Å; M1030-S1032 VanDerWaalsContact C-N 3.29Å; M1030-S1032 PolarHBondContact O-N 3.49Å; S1032-N1034 PolarHBondContact O-N 3.13Å; S1032-N1034 VanDerWaalsContact O-N 3.16Å; S1032-N1034 WeakPolarHBondContact OG-CB 3.36Å; S1032-N1034 PolarHBondContact OG-N 3.26Å |
| 1033 | Q | 62.9 | Low | 79.5 | Confident | 85 Ų | 85 | 44.7 Ų | 44.7 | 40% | 0.397 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -73 | 6.9 | 171.9 | -63.8 | -173.9 | 4.4 | 0 | 0 | 113.3 | T971 P1035 | T971-Q1033 VanDerWaalsContact C-NE2 3.33Å; T971-Q1033 WeakPolarHBondContact O-CG 3.36Å; T971-Q1033 PolarHBondContact O-NE2 3.27Å; Q1033-P1035 VanDerWaalsContact O-CD 3.28Å; Q1033-P1035 WeakPolarHBondContact O-CD 3.33Å; Q1033-P1035 VanDerWaalsContact O-N 3.15Å |
| 1034 | N | 61.5 | Low | 79.5 | Confident | 35 Ų | 35 | 45 Ų | 45 | 19% | 0.187 | 22% | 0.221 | C | C | . | . | trans | -60.7 | 118.4 | 177.4 | -177.6 | -1.5 | 0 | 0 | 0 | 109.6 | Q382 S1032 L1036 A1037 | Q382-N1034 PolarHBondContact NE2-ND2 2.86Å; S1032-N1034 PolarHBondContact O-N 3.13Å; S1032-N1034 VanDerWaalsContact O-N 3.16Å; S1032-N1034 WeakPolarHBondContact OG-CB 3.36Å; S1032-N1034 PolarHBondContact OG-N 3.26Å; N1034-L1036 PolarHBondContact O-N 3.44Å; N1034-L1036 WeakPolarHBondContact OD1-CB 3.33Å; N1034-L1036 PolarHBondContact OD1-N 3.28Å; N1034-A1037 HydrophobicContact CB-CB 4.38Å; N1034-A1037 VanDerWaalsContact O-CB 3.3Å; N1034-A1037 WeakPolarHBondContact O-CB 3.37Å; N1034-A1037 PolarHBondContact O-N 2.82Å | ||
| 1035 | P | 54.6 | Low | 78.9 | Confident | 26 Ų | 26 | 45.5 Ų | 45.5 | 17% | 0.169 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -20.2 | 179 | 22.3 | -31.9 | 0 | 0 | 0 | 113.5 | L417 Y420 Q1033 | L417-P1035 HydrophobicContact CD1-CG 4.43Å; Y420-P1035 HydrophobicContact CD2-CG 4.47Å; Q1033-P1035 VanDerWaalsContact O-CD 3.28Å; Q1033-P1035 WeakPolarHBondContact O-CD 3.33Å; Q1033-P1035 VanDerWaalsContact O-N 3.15Å |
| 1036 | L | 59.2 | Low | 77.9 | Confident | 49 Ų | 49 | 47.3 Ų | 47.3 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -20.6 | 174.8 | -58.9 | 175.2 | 0 | 0 | 0 | 113.5 | A387 I391 L417 N1034 E1038 | A387-L1036 HydrophobicContact CB-CD1 3.45Å; A387-L1036 VanDerWaalsContact CB-CD1 3.45Å; A387-L1036 HydrophobicContact CB-CD2 3.56Å; A387-L1036 HydrophobicContact CB-CG 4.14Å; I391-L1036 HydrophobicContact CD1-CD2 3.67Å; I391-L1036 HydrophobicContact CG1-CD2 4.41Å; L417-L1036 HydrophobicContact CD2-CD2 4.03Å; N1034-L1036 PolarHBondContact O-N 3.44Å; N1034-L1036 WeakPolarHBondContact OD1-CB 3.33Å; N1034-L1036 PolarHBondContact OD1-N 3.28Å; L1036-E1038 PolarHBondContact O-N 3Å |
| 1037 | A | 66.7 | Low | 76.5 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -62.3 | 132.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | K413 N1034 | K413-A1037 PolarHBondContact NZ-O 2.9Å; K413-A1037 VanDerWaalsContact NZ-O 3.15Å; N1034-A1037 HydrophobicContact CB-CB 4.38Å; N1034-A1037 VanDerWaalsContact O-CB 3.3Å; N1034-A1037 WeakPolarHBondContact O-CB 3.37Å; N1034-A1037 PolarHBondContact O-N 2.82Å |
| 1038 | E | 72.4 | Confident | 74.6 | Confident | 131 Ų | 131 | 56.3 Ų | 56.3 | 61% | 0.612 | 29% | 0.288 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 133.2 | 165.9 | -67.2 | -169.7 | 175.6 | 0 | 0 | 108.1 | K394 L1036 | K394-E1038 IonicContact NZ-OE1 3.83Å; K394-E1038 PolarHBondContact NZ-OE1 3.34Å; L1036-E1038 PolarHBondContact O-N 3Å |
| 1039 | A | 83 | Confident | 72.4 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 14% | 0.14 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 140.5 | 178 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y1028 Y1029 M1030 E1041 | Y1028-A1039 HydrophobicContact CD2-CB 4.17Å; Y1029-A1039 WeakPolarHBondContact O-CA 3.25Å; M1030-A1039 HydrophobicContact CG-CB 3.44Å; M1030-A1039 VanDerWaalsContact CG-CB 3.44Å; M1030-A1039 HydrophobicContact SD-CB 3.96Å; A1039-E1041 HydrophobicContact CB-CG 4.02Å; A1039-E1041 PolarHBondContact O-N 2.96Å |
| 1040 | E | 90.9 | Very high | 70.4 | Confident | 91 Ų | 91 | 66.7 Ų | 66.7 | 43% | 0.425 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 120 | 162.4 | -69.9 | 172.1 | -142.1 | 0 | 0 | 107.4 | K97 L99 Y1028 Y1029 | K97-E1040 IonicContact NZ-OE1 2.82Å; K97-E1040 PolarHBondContact NZ-OE1 2.92Å; K97-E1040 IonicContact NZ-OE2 3.79Å; K97-E1040 PolarHBondContact NZ-OE2 3.16Å; L99-E1040 HydrophobicContact CD1-CB 3.68Å; L99-E1040 WeakPolarHBondContact CD1-O 3.26Å; Y1028-E1040 CarbonylContact C-O 3.14Å; Y1028-E1040 WeakPolarHBondContact CA-O 3.32Å; Y1028-E1040 WeakPolarHBondContact CB-O 3.42Å; Y1029-E1040 PolarHBondContact N-O 2.95Å; Y1029-E1040 PolarHBondContact O-N 3.04Å |
| 1041 | E | 91.5 | Very high | 68.8 | Low | 66 Ų | 66 | 74.6 Ų | 74.6 | 31% | 0.308 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.9 | -170.8 | -75.1 | -178.6 | 178.5 | 0 | 0 | 111.7 | R409 Y979 V1026 I1027 A1039 | R409-E1041 IonicContact CZ-OE1 3.02Å; R409-E1041 IonicContact CZ-OE2 2.91Å; R409-E1041 IonicContact NH1-OE1 2.65Å; R409-E1041 PolarHBondContact NH1-OE1 3.45Å; R409-E1041 IonicContact NH1-OE2 3.76Å; R409-E1041 PolarHBondContact NH1-OE2 3.23Å; R409-E1041 IonicContact NH2-OE1 3.43Å; R409-E1041 PolarHBondContact NH2-OE1 3.36Å; R409-E1041 IonicContact NH2-OE2 3.9Å; Y979-E1041 WeakPolarHBondContact CE2-OE1 3.15Å; V1026-E1041 HydrophobicContact CG1-CB 3.73Å; V1026-E1041 HydrophobicContact CG1-CG 3.94Å; I1027-E1041 WeakPolarHBondContact O-CA 3.37Å; A1039-E1041 HydrophobicContact CB-CG 4.02Å; A1039-E1041 PolarHBondContact O-N 2.96Å |
| 1042 | K | 89.9 | Confident | 67.6 | Low | 89 Ų | 89 | 75 Ų | 75 | 39% | 0.387 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 123 | 172.1 | -172.6 | 170.7 | 178.9 | 172.8 | 0 | 109.5 | V1026 I1027 V1044 | V1026-K1042 CarbonylContact C-O 3.47Å; V1026-K1042 WeakPolarHBondContact CA-O 3.4Å; I1027-K1042 HydrophobicContact CD1-CB 4.22Å; I1027-K1042 HydrophobicContact CG1-CB 3.95Å; I1027-K1042 WeakPolarHBondContact CG1-O 3.43Å; I1027-K1042 PolarHBondContact N-O 3.01Å; I1027-K1042 PolarHBondContact O-N 3.35Å; K1042-V1044 PolarHBondContact O-N 2.96Å |
| 1043 | T | 85.2 | Confident | 67.2 | Low | 49 Ų | 49 | 78.6 Ų | 78.6 | 30% | 0.301 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 127.3 | 174.4 | -60.6 | 0 | 0 | 0 | 0 | 108.5 | R1024 P1025 V1045 | R1024-T1043 HydrophobicContact CB-CG2 4.18Å; P1025-T1043 WeakPolarHBondContact O-CA 3.22Å; P1025-T1043 WeakPolarHBondContact O-CG2 3.35Å; T1043-V1045 PolarHBondContact O-N 2.91Å |
| 1044 | V | 78.2 | Confident | 67.4 | Low | 13 Ų | 13 | 79.2 Ų | 79.2 | 8% | 0.079 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 125.4 | -179.8 | 171.8 | 0 | 0 | 0 | 0 | 109.3 | Q66 P1025 I1027 K1042 | Q66-V1044 HydrophobicContact CB-CG1 4.12Å; Q66-V1044 HydrophobicContact CB-CG2 4.25Å; Q66-V1044 VanDerWaalsContact OE1-CA 3.3Å; P1025-V1044 HydrophobicContact CB-CB 4.07Å; P1025-V1044 HydrophobicContact CB-CG2 4.44Å; P1025-V1044 HydrophobicContact CG-CB 3.73Å; P1025-V1044 HydrophobicContact CG-CG1 4.36Å; P1025-V1044 PolarHBondContact O-N 3.24Å; I1027-V1044 HydrophobicContact CB-CG2 4.26Å; I1027-V1044 HydrophobicContact CD1-CG2 4.5Å; I1027-V1044 HydrophobicContact CG1-CG2 3.95Å; I1027-V1044 HydrophobicContact CG2-CG2 3.59Å; K1042-V1044 PolarHBondContact O-N 2.96Å |
| 1045 | V | 69.1 | Low | 67.7 | Low | 86 Ų | 86 | 80.6 Ų | 80.6 | 52% | 0.521 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -99.2 | 132.5 | 175.4 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | S64 T1043 E1047 | S64-V1045 WeakPolarHBondContact CB-O 3.5Å; S64-V1045 PolarHBondContact OG-O 3.03Å; T1043-V1045 PolarHBondContact O-N 2.91Å; V1045-E1047 PolarHBondContact O-N 3.31Å |
| 1046 | A | 61.9 | Low | 68.7 | Low | 39 Ų | 39 | 84.8 Ų | 84.8 | 32% | 0.322 | 43% | 0.429 | S | S | . | . | trans | -71.5 | 115.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | V1050 | A1046-V1050 HydrophobicContact CB-CB 4.37Å; A1046-V1050 HydrophobicContact CB-CG2 4.35Å | ||
| 1047 | E | 59.2 | Low | 69.3 | Low | 93 Ų | 93 | 91.9 Ų | 91.9 | 44% | 0.435 | 45% | 0.452 | S | S | . | . | trans | -99.6 | -21.7 | -178.4 | -71.1 | 177.8 | 179.6 | 0 | 0 | 112.4 | Q66 N101 V1045 | Q66-E1047 PolarHBondContact NE2-OE1 2.71Å; Q66-E1047 VanDerWaalsContact NE2-OE1 3.07Å; N101-E1047 PolarHBondContact ND2-OE1 2.83Å; N101-E1047 PolarHBondContact ND2-OE2 2.75Å; N101-E1047 PolarHBondContact OD1-OE1 2.94Å; V1045-E1047 PolarHBondContact O-N 3.31Å | ||
| 1048 | K | 54 | Low | 69.4 | Low | 97 Ų | 97 | 92.7 Ų | 92.7 | 42% | 0.422 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -94.9 | 110.2 | -175 | -70.6 | 179.5 | -179.9 | 171 | 0 | 111.8 | P61 V1050 | P61-K1048 PolarHBondContact O-NZ 3.15Å; K1048-V1050 WeakPolarHBondContact O-CG2 3.33Å; K1048-V1050 PolarHBondContact O-N 2.89Å |
| 1049 | N | 48.1 | Very low | 68.7 | Low | 178 Ų | 178 | 90.8 Ų | 90.8 | 95% | 0.952 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 49.1 | 14.4 | 160.8 | -71 | -16.1 | 0 | 0 | 0 | 119.7 | R1051 | N1049-R1051 PolarHBondContact O-N 3.35Š|
| 1050 | V | 52 | Low | 67.6 | Low | 45 Ų | 45 | 98.8 Ų | 98.8 | 27% | 0.273 | 48% | 0.475 | S | S | . | . | trans | -88.8 | 113.2 | -178.9 | 172.2 | 0 | 0 | 0 | 0 | 110.1 | A1046 K1048 M1052 T1075 | A1046-V1050 HydrophobicContact CB-CB 4.37Å; A1046-V1050 HydrophobicContact CB-CG2 4.35Å; K1048-V1050 WeakPolarHBondContact O-CG2 3.33Å; K1048-V1050 PolarHBondContact O-N 2.89Å; V1050-M1052 PolarHBondContact O-N 3.29Å; V1050-T1075 HydrophobicContact CG1-CG2 3.57Å | ||
| 1051 | R | 53.9 | Low | 65.7 | Low | 193 Ų | 193 | 95.9 Ų | 95.9 | 73% | 0.728 | 47% | 0.469 | S | S | * | . | trans | -72.6 | 120.3 | 169.3 | -138.7 | 176.4 | -172.7 | 175.8 | 1.9 | 108.3 | N1049 T1076 | N1049-R1051 PolarHBondContact O-N 3.35Å; R1051-T1076 PolarHBondContact O-N 2.88Å; R1051-T1076 PolarHBondContact O-OG1 2.86Å; R1051-T1076 VanDerWaalsContact O-OG1 3.07Å | ||
| 1052 | M | 56.2 | Low | 63.4 | Low | 131 Ų | 131 | 98.4 Ų | 98.4 | 65% | 0.645 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 113.6 | 167.9 | -76.2 | -174.4 | -80.2 | 0 | 0 | 108.2 | V1050 V1073 T1075 | V1050-M1052 PolarHBondContact O-N 3.29Å; M1052-V1073 HydrophobicContact CB-CG1 4.17Å; M1052-V1073 HydrophobicContact CG-CG1 4.38Å; M1052-V1073 HydrophobicContact SD-CG1 4.33Å; M1052-T1075 HydrophobicContact CG-CG2 3.85Å |
| 1053 | E | 61.5 | Low | 61.4 | Low | 111 Ų | 111 | 99.3 Ų | 99.3 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 119.4 | 171.9 | -71 | -171.6 | 173.6 | 0 | 0 | 109.3 | I1074 T1076 | E1053-I1074 PolarHBondContact N-O 3.21Å; E1053-I1074 PolarHBondContact O-N 2.79Å; E1053-T1076 HydrophobicContact CB-CG2 4.36Å; E1053-T1076 HydrophobicContact CG-CG2 3.88Å |
| 1054 | S | 66.2 | Low | 59.8 | Low | 99 Ų | 99 | 101.5 Ų | 101.5 | 69% | 0.692 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 133.4 | 166.5 | 61.7 | 0 | 0 | 0 | 0 | 109.6 | G1072 | S1054-G1072 CarbonylContact C-O 3.43Å; S1054-G1072 VanDerWaalsContact CA-O 3.23Å; S1054-G1072 WeakPolarHBondContact CA-O 3.33Å |
| 1055 | F | 67.5 | Low | 58.5 | Low | 64 Ų | 64 | 102.3 Ų | 102.3 | 28% | 0.281 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 148.9 | 171.3 | 67.8 | -84.1 | 0 | 0 | 0 | 110.1 | M1070 R1071 G1072 I1074 I1099 | F1055-M1070 HydrophobicContact CE2-CE 4.4Å; F1055-R1071 CarbonylContact O-C 3.56Å; F1055-R1071 WeakPolarHBondContact O-CA 3.25Å; F1055-G1072 WeakPolarHBondContact CD1-O 3.39Å; F1055-G1072 PolarHBondContact N-O 3.41Å; F1055-G1072 PolarHBondContact O-N 3.45Å; F1055-I1074 HydrophobicContact CD1-CD1 4.11Å; F1055-I1074 HydrophobicContact CE1-CD1 3.44Å; F1055-I1074 VanDerWaalsContact CE1-CD1 3.44Å; F1055-I1074 HydrophobicContact CE1-CG1 3.91Å; F1055-I1074 HydrophobicContact CZ-CD1 4.27Å; F1055-I1099 HydrophobicContact CE1-CG1 4.46Å; F1055-I1099 HydrophobicContact CZ-CD1 4.49Å; F1055-I1099 HydrophobicContact CZ-CG1 4.14Å; F1055-I1099 HydrophobicContact CZ-CG2 4.18Å |
| 1056 | K | 76.7 | Confident | 58 | Low | 114 Ų | 114 | 98.8 Ų | 98.8 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 125.9 | 165.3 | 179.8 | 176.1 | 165.5 | 174.8 | 0 | 107.8 | M1070 R1071 Y1102 | K1056-M1070 CarbonylContact C-O 3.58Å; K1056-M1070 VanDerWaalsContact CA-O 3.27Å; K1056-M1070 WeakPolarHBondContact CA-O 3.18Å; K1056-R1071 HydrophobicContact CB-CB 4.35Å; K1056-R1071 HydrophobicContact CG-CB 4.4Å; K1056-Y1102 WeakPolarHBondContact CE-OH 3.5Å; K1056-Y1102 PolarHBondContact NZ-OH 3.19Å |
| 1057 | R | 70.4 | Confident | 58.2 | Low | 198 Ų | 198 | 97.6 Ų | 97.6 | 75% | 0.747 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131 | 133 | 174.6 | -71 | -170.1 | 177.1 | -175.2 | 1.1 | 108.5 | C1069 M1070 | R1057-C1069 CarbonylContact O-C 3.38Å; R1057-C1069 WeakPolarHBondContact O-CA 3.38Å; R1057-M1070 PolarHBondContact N-O 2.73Å; R1057-M1070 PolarHBondContact O-N 2.68Å |
| 1058 | C | 69.9 | Low | 58.4 | Low | 42 Ų | 42 | 96.2 Ų | 96.2 | 28% | 0.284 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.9 | 179.2 | -60.2 | 0 | 0 | 0 | 0 | 110.5 | E1067 I1068 C1069 | C1058-E1067 HydrophobicContact CB-CG 3.71Å; C1058-E1067 WeakPolarHBondContact CB-OE1 3.34Å; C1058-I1068 CarbonylContact C-O 3.57Å; C1058-I1068 WeakPolarHBondContact CA-O 3.35Å; C1058-C1069 HydrophobicContact CB-CB 4.07Å; C1058-C1069 WeakPolarHBondContact CB-SG 3.41Å; C1058-C1069 WeakPolarHBondContact SG-CB 3.47Å; C1058-C1069 CovalentContact SG-SG 2.04Å; C1058-C1069 PolarHBondContact SG-SG 2.81Å |
| 1059 | M | 57.3 | Low | 59.3 | Low | 92 Ų | 92 | 91.6 Ų | 91.6 | 45% | 0.453 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 120.1 | 177.3 | -65.5 | -178.6 | -67.6 | 0 | 0 | 108.2 | G1061 I1068 Y1358 | M1059-G1061 PolarHBondContact O-N 3.26Å; M1059-I1068 PolarHBondContact N-O 2.78Å; M1059-I1068 PolarHBondContact O-N 2.8Å; M1059-Y1358 VanDerWaalsContact CE-OH 3.31Å; M1059-Y1358 WeakPolarHBondContact CE-OH 3.09Å |
| 1060 | R | 59.1 | Low | 60.3 | Low | 185 Ų | 185 | 86.8 Ų | 86.8 | 70% | 0.698 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 112 | 171.7 | -70.1 | -178.1 | -179.8 | 177.8 | -4.2 | 108.3 | E1067 | R1060-E1067 HydrophobicContact CG-CB 4.49Å; R1060-E1067 HydrophobicContact CG-CG 4.03Å |
| 1061 | G | 51.9 | Low | 61.6 | Low | 30 Ų | 30 | 90.5 Ų | 90.5 | 31% | 0.309 | 44% | 0.44 | S | S | . | . | trans | -87.5 | 130.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | M1059 L1063 | M1059-G1061 PolarHBondContact O-N 3.26Å; G1061-L1063 PolarHBondContact O-N 2.95Å; G1061-L1063 VanDerWaalsContact O-N 3.12Å | ||
| 1062 | P | 43.1 | Very low | 62.4 | Low | 118 Ų | 118 | 81.6 Ų | 81.6 | 77% | 0.766 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -10.6 | 178.2 | 25.4 | -32.9 | 0 | 0 | 0 | 114 | ||
| 1063 | L | 48 | Very low | 63.1 | Low | 108 Ų | 108 | 78.1 Ų | 78.1 | 57% | 0.565 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -15.5 | -168 | -76.9 | 159.4 | 0 | 0 | 0 | 115.7 | G1061 | G1061-L1063 PolarHBondContact O-N 2.95Å; G1061-L1063 VanDerWaalsContact O-N 3.12Å |
| 1064 | F | 52 | Low | 63 | Low | 95 Ų | 95 | 74.1 Ų | 74.1 | 42% | 0.417 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -137.2 | 4.9 | -168.3 | -56.4 | -69.1 | 0 | 0 | 0 | 115.5 | M1009 N1011 S1066 | M1009-F1064 HydrophobicContact SD-CE1 4.3Å; N1011-F1064 PolarHBondContact ND2-O 2.89Å; N1011-F1064 PolarHBondContact OD1-O 3.46Å; F1064-S1066 PolarHBondContact O-N 2.71Å; F1064-S1066 PolarHBondContact O-OG 2.9Å; F1064-S1066 VanDerWaalsContact O-OG 3.08Å |
| 1065 | G | 50.5 | Low | 62.6 | Low | 31 Ų | 31 | 69.7 Ų | 69.7 | 32% | 0.32 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 55.3 | 21 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 1066 | S | 58.5 | Low | 61.8 | Low | 11 Ų | 11 | 68.2 Ų | 68.2 | 8% | 0.077 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 148.4 | -173 | -61.8 | 0 | 0 | 0 | 0 | 109.6 | N1011 F1064 M1103 | N1011-S1066 PolarHBondContact ND2-OG 2.86Å; N1011-S1066 PolarHBondContact OD1-OG 3.46Å; F1064-S1066 PolarHBondContact O-N 2.71Å; F1064-S1066 PolarHBondContact O-OG 2.9Å; F1064-S1066 VanDerWaalsContact O-OG 3.08Å; S1066-M1103 VanDerWaalsContact CB-SD 3.57Å |
| 1067 | E | 65.3 | Low | 60.3 | Low | 15 Ų | 15 | 65.6 Ų | 65.6 | 7% | 0.07 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 126.4 | 177.4 | -169.5 | 177.4 | -156.8 | 0 | 0 | 110 | C1058 R1060 M1103 R1104 | C1058-E1067 HydrophobicContact CB-CG 3.71Å; C1058-E1067 WeakPolarHBondContact CB-OE1 3.34Å; R1060-E1067 HydrophobicContact CG-CB 4.49Å; R1060-E1067 HydrophobicContact CG-CG 4.03Å; E1067-M1103 CarbonylContact O-C 3.6Å; E1067-M1103 WeakPolarHBondContact O-CA 2.98Å; E1067-R1104 HydrophobicContact CB-CG 4.04Å; E1067-R1104 PolarHBondContact N-O 2.75Å; E1067-R1104 PolarHBondContact O-N 2.79Å; E1067-R1104 IonicContact OE1-NH2 3.46Å; E1067-R1104 IonicContact OE2-CZ 2.79Å; E1067-R1104 IonicContact OE2-NE 2.73Å; E1067-R1104 PolarHBondContact OE2-NE 2.8Å; E1067-R1104 IonicContact OE2-NH2 3.32Å; E1067-R1104 PolarHBondContact OE2-NH2 2.79Å |
| 1068 | I | 64.8 | Low | 58.7 | Low | 63 Ų | 63 | 64.9 Ų | 64.9 | 32% | 0.323 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 115.3 | 173.5 | -60.3 | 175.9 | 0 | 0 | 0 | 107.7 | C1058 M1059 | C1058-I1068 CarbonylContact C-O 3.57Å; C1058-I1068 WeakPolarHBondContact CA-O 3.35Å; M1059-I1068 PolarHBondContact N-O 2.78Å; M1059-I1068 PolarHBondContact O-N 2.8Å |
| 1069 | C | 71.6 | Confident | 57 | Low | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.2 | 179.9 | -71.6 | 0 | 0 | 0 | 0 | 110.8 | R1057 C1058 A1101 Y1102 | R1057-C1069 CarbonylContact O-C 3.38Å; R1057-C1069 WeakPolarHBondContact O-CA 3.38Å; C1058-C1069 HydrophobicContact CB-CB 4.07Å; C1058-C1069 WeakPolarHBondContact CB-SG 3.41Å; C1058-C1069 WeakPolarHBondContact SG-CB 3.47Å; C1058-C1069 CovalentContact SG-SG 2.04Å; C1058-C1069 PolarHBondContact SG-SG 2.81Å; C1069-A1101 CarbonylContact O-C 3.53Å; C1069-A1101 VanDerWaalsContact O-CA 3.28Å; C1069-A1101 WeakPolarHBondContact O-CA 3.35Å; C1069-Y1102 HydrophobicContact CB-CD1 4.22Å; C1069-Y1102 HydrophobicContact CB-CD2 3.97Å; C1069-Y1102 HydrophobicContact CB-CE1 3.69Å; C1069-Y1102 HydrophobicContact CB-CE2 3.45Å; C1069-Y1102 VanDerWaalsContact CB-CE2 3.45Å; C1069-Y1102 HydrophobicContact CB-CG 4.35Å; C1069-Y1102 PolarHBondContact N-O 2.79Å; C1069-Y1102 WeakPolarHBondContact O-CD1 3.34Å; C1069-Y1102 PolarHBondContact O-N 3.33Å |
| 1070 | M | 70.3 | Confident | 55.8 | Low | 78 Ų | 78 | 68.5 Ų | 68.5 | 38% | 0.384 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125 | 164.1 | -72 | 174.6 | 46.9 | 0 | 0 | 109.1 | F1055 K1056 R1057 S1100 A1101 | F1055-M1070 HydrophobicContact CE2-CE 4.4Å; K1056-M1070 CarbonylContact C-O 3.58Å; K1056-M1070 VanDerWaalsContact CA-O 3.27Å; K1056-M1070 WeakPolarHBondContact CA-O 3.18Å; R1057-M1070 PolarHBondContact N-O 2.73Å; R1057-M1070 PolarHBondContact O-N 2.68Å; M1070-S1100 CarbonylContact C-O 3.48Å; M1070-S1100 WeakPolarHBondContact CA-O 3.41Å; M1070-A1101 HydrophobicContact CG-CB 4.06Å |
| 1071 | R | 77.9 | Confident | 54.8 | Low | 123 Ų | 123 | 66.7 Ų | 66.7 | 46% | 0.464 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 149.7 | 166 | 69.7 | -176.6 | 170.9 | -179.6 | -5.3 | 109.7 | D1017 F1055 K1056 I1099 S1100 Y1102 | D1017-R1071 IonicContact OD1-NH2 3.03Å; F1055-R1071 CarbonylContact O-C 3.56Å; F1055-R1071 WeakPolarHBondContact O-CA 3.25Å; K1056-R1071 HydrophobicContact CB-CB 4.35Å; K1056-R1071 HydrophobicContact CG-CB 4.4Å; R1071-I1099 CarbonylContact O-C 3.42Å; R1071-I1099 WeakPolarHBondContact O-CA 3.29Å; R1071-S1100 WeakPolarHBondContact CG-OG 3.16Å; R1071-S1100 PolarHBondContact N-O 3.31Å; R1071-S1100 PolarHBondContact NE-OG 2.73Å; R1071-S1100 PolarHBondContact O-N 2.81Å; R1071-Y1102 HydrophobicContact CB-CE1 4.05Å; R1071-Y1102 HydrophobicContact CG-CD1 4.25Å; R1071-Y1102 HydrophobicContact CG-CE1 3.67Å |
| 1072 | G | 72.4 | Confident | 54.1 | Low | 6 Ų | 6 | 70.4 Ų | 70.4 | 6% | 0.062 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | 163.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | S1054 F1055 T1098 | S1054-G1072 CarbonylContact C-O 3.43Å; S1054-G1072 VanDerWaalsContact CA-O 3.23Å; S1054-G1072 WeakPolarHBondContact CA-O 3.33Å; F1055-G1072 WeakPolarHBondContact CD1-O 3.39Å; F1055-G1072 PolarHBondContact N-O 3.41Å; F1055-G1072 PolarHBondContact O-N 3.45Å; G1072-T1098 CarbonylContact C-O 3.47Å; G1072-T1098 WeakPolarHBondContact CA-O 3.46Å |
| 1073 | V | 69.6 | Low | 54 | Low | 58 Ų | 58 | 71.8 Ų | 71.8 | 35% | 0.352 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122.2 | 168.9 | -178.8 | 0 | 0 | 0 | 0 | 106.6 | M1052 V1097 T1098 | M1052-V1073 HydrophobicContact CB-CG1 4.17Å; M1052-V1073 HydrophobicContact CG-CG1 4.38Å; M1052-V1073 HydrophobicContact SD-CG1 4.33Å; V1073-V1097 WeakPolarHBondContact O-CA 3.32Å; V1073-T1098 PolarHBondContact N-O 2.94Å; V1073-T1098 PolarHBondContact O-N 2.83Å |
| 1074 | I | 60.5 | Low | 53.3 | Low | 27 Ų | 27 | 70.4 Ų | 70.4 | 14% | 0.138 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 123.3 | 176.1 | -68.4 | 168.9 | 0 | 0 | 0 | 107.1 | E1053 F1055 T1076 P1090 V1097 I1099 | E1053-I1074 PolarHBondContact N-O 3.21Å; E1053-I1074 PolarHBondContact O-N 2.79Å; F1055-I1074 HydrophobicContact CD1-CD1 4.11Å; F1055-I1074 HydrophobicContact CE1-CD1 3.44Å; F1055-I1074 VanDerWaalsContact CE1-CD1 3.44Å; F1055-I1074 HydrophobicContact CE1-CG1 3.91Å; F1055-I1074 HydrophobicContact CZ-CD1 4.27Å; I1074-T1076 PolarHBondContact O-N 2.72Å; I1074-P1090 HydrophobicContact CD1-CG 4.44Å; I1074-P1090 HydrophobicContact CG1-CB 4.45Å; I1074-P1090 HydrophobicContact CG1-CG 4.42Å; I1074-P1090 HydrophobicContact CG2-CB 3.69Å; I1074-P1090 HydrophobicContact CG2-CG 3.4Å; I1074-V1097 HydrophobicContact CG1-CG1 4.19Å; I1074-I1099 HydrophobicContact CD1-CD1 4.44Å |
| 1075 | T | 56.7 | Low | 52.5 | Low | 6 Ų | 6 | 67.3 Ų | 67.3 | 4% | 0.037 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 116.8 | 160.2 | 45.2 | 0 | 0 | 0 | 0 | 108.3 | V1050 M1052 P1077 N1095 | V1050-T1075 HydrophobicContact CG1-CG2 3.57Å; M1052-T1075 HydrophobicContact CG-CG2 3.85Å; T1075-P1077 WeakPolarHBondContact O-CD 3.4Å; T1075-N1095 WeakPolarHBondContact OG1-CB 3.4Å; T1075-N1095 PolarHBondContact OG1-ND2 3.39Å; T1075-N1095 PolarHBondContact OG1-OD1 2.86Å |
| 1076 | T | 50.4 | Low | 51.9 | Low | 33 Ų | 33 | 67.7 Ų | 67.7 | 20% | 0.202 | 35% | 0.347 | C | S | . | . | trans | -72.2 | 114.3 | 179.3 | 54.7 | 0 | 0 | 0 | 0 | 110.8 | R1051 E1053 I1074 | R1051-T1076 PolarHBondContact O-N 2.88Å; R1051-T1076 PolarHBondContact O-OG1 2.86Å; R1051-T1076 VanDerWaalsContact O-OG1 3.07Å; E1053-T1076 HydrophobicContact CB-CG2 4.36Å; E1053-T1076 HydrophobicContact CG-CG2 3.88Å; I1074-T1076 PolarHBondContact O-N 2.72Å | ||
| 1077 | P | 45.2 | Very low | 50.9 | Low | 59 Ų | 59 | 75 Ų | 75 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -76.5 | 143.7 | 138.9 | 34.4 | -27.5 | 0 | 0 | 0 | 106.5 | T1075 C1079 | T1075-P1077 WeakPolarHBondContact O-CD 3.4Å; P1077-C1079 PolarHBondContact O-N 2.87Å; P1077-C1079 PolarHBondContact O-SG 3.05Å; P1077-C1079 VanDerWaalsContact O-SG 3.39Å |
| 1078 | M | 37.4 | Very low | 49.7 | Very low | 182 Ų | 182 | 78.6 Ų | 78.6 | 90% | 0.897 | 39% | 0.392 | S | S | * | . | trans | -34.6 | 96.8 | -176.1 | -68.7 | -156.8 | 148.8 | 0 | 0 | 114 | N1080 | M1078-N1080 PolarHBondContact O-N 2.72Š| ||
| 1079 | C | 34.9 | Very low | 48.3 | Very low | 92 Ų | 92 | 76.6 Ų | 76.6 | 62% | 0.622 | 39% | 0.385 | S | S | * | . | trans | -80.4 | 68.4 | 177 | -75.7 | 0 | 0 | 0 | 0 | 109.3 | P1077 | P1077-C1079 PolarHBondContact O-N 2.87Å; P1077-C1079 PolarHBondContact O-SG 3.05Å; P1077-C1079 VanDerWaalsContact O-SG 3.39Å | ||
| 1080 | N | 32.1 | Very low | 46.9 | Very low | 118 Ų | 118 | 76.8 Ų | 76.8 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | trans | -97.3 | 129.6 | 156.2 | -101.7 | -26.9 | 0 | 0 | 0 | 106.3 | M1078 | M1078-N1080 PolarHBondContact O-N 2.72Š| ||
| 1081 | H | 38.2 | Very low | 45.8 | Very low | 147 Ų | 147 | 74 Ų | 74 | 68% | 0.681 | 37% | 0.372 | S | S | * | . | S | Bend | trans | 107.9 | 120.9 | 174.3 | -49.5 | -57.8 | 0 | 0 | 0 | 117.2 | K1083 | H1081-K1083 VanDerWaalsContact C-N 3.28Å; H1081-K1083 PolarHBondContact O-N 2.69Å |
| 1082 | N | 36.6 | Very low | 44.3 | Very low | 108 Ų | 108 | 70.3 Ų | 70.3 | 58% | 0.578 | 36% | 0.359 | S | S | * | . | trans | -73.4 | 27.7 | -171.5 | -84.6 | -30.6 | 0 | 0 | 0 | 116.1 | ||||
| 1083 | K | 40.2 | Very low | 43.1 | Very low | 147 Ų | 147 | 70.3 Ų | 70.3 | 64% | 0.639 | 36% | 0.358 | S | S | * | . | trans | -91.4 | 134.9 | -175.2 | -70.8 | -178.2 | -179.9 | 173.2 | 0 | 112.4 | H1081 L1085 H1086 | H1081-K1083 VanDerWaalsContact C-N 3.28Å; H1081-K1083 PolarHBondContact O-N 2.69Å; K1083-L1085 PolarHBondContact O-N 2.95Å; K1083-L1085 VanDerWaalsContact O-N 3.16Å; K1083-H1086 VanDerWaalsContact O-CB 3.27Å; K1083-H1086 WeakPolarHBondContact O-CB 3.46Å; K1083-H1086 PolarHBondContact O-N 2.85Å | ||
| 1084 | L | 34.9 | Very low | 42.2 | Very low | 79 Ų | 79 | 68 Ų | 68 | 41% | 0.414 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -54.5 | -36.5 | -176.4 | -164.1 | 77.6 | 0 | 0 | 0 | 113.6 | H1086 Y1087 M1359 | L1084-H1086 VanDerWaalsContact C-N 3.29Å; L1084-H1086 PolarHBondContact O-N 3.11Å; L1084-Y1087 PolarHBondContact O-N 2.83Å; L1084-M1359 WeakPolarHBondContact CD1-O 3.33Å; L1084-M1359 HydrophobicContact CD2-CB 3.84Å; L1084-M1359 HydrophobicContact CD2-CG 4.07Å; L1084-M1359 HydrophobicContact CD2-SD 3.65Å |
| 1085 | L | 34.2 | Very low | 42 | Very low | 30 Ų | 30 | 67 Ų | 67 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.8 | -26.5 | 175.6 | -90.2 | 130.5 | 0 | 0 | 0 | 113 | V743 D745 K748 T750 K1083 Y1087 M1088 A1089 | V743-L1085 HydrophobicContact CG1-CD1 3.51Å; D745-L1085 HydrophobicContact CB-CB 4.39Å; D745-L1085 HydrophobicContact CB-CD1 3.99Å; D745-L1085 HydrophobicContact CB-CD2 4.04Å; D745-L1085 HydrophobicContact CB-CG 4.35Å; D745-L1085 WeakPolarHBondContact OD2-CB 3.23Å; K748-L1085 PolarHBondContact NZ-O 2.85Å; T750-L1085 HydrophobicContact CG2-CD2 4.18Å; K1083-L1085 PolarHBondContact O-N 2.95Å; K1083-L1085 VanDerWaalsContact O-N 3.16Å; L1085-Y1087 VanDerWaalsContact C-N 3.31Å; L1085-Y1087 PolarHBondContact O-N 3.12Å; L1085-M1088 PolarHBondContact O-N 3.37Å; L1085-M1088 VanDerWaalsContact O-N 3.1Å; L1085-A1089 PolarHBondContact O-N 2.99Å |
| 1086 | H | 38.9 | Very low | 42.3 | Very low | 40 Ų | 40 | 72.9 Ų | 72.9 | 19% | 0.185 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.2 | -31.8 | 174.8 | -97.2 | 19.2 | 0 | 0 | 0 | 112.4 | E747 K1083 L1084 M1088 A1089 P1090 | E747-H1086 IonicContact OE2-CE1 3.18Å; E747-H1086 PolarHBondContact OE2-CE1 2.92Å; K1083-H1086 VanDerWaalsContact O-CB 3.27Å; K1083-H1086 WeakPolarHBondContact O-CB 3.46Å; K1083-H1086 PolarHBondContact O-N 2.85Å; L1084-H1086 VanDerWaalsContact C-N 3.29Å; L1084-H1086 PolarHBondContact O-N 3.11Å; H1086-M1088 PolarHBondContact O-N 2.75Å; H1086-A1089 WeakPolarHBondContact O-CB 3.25Å; H1086-A1089 PolarHBondContact O-N 2.89Å; H1086-P1090 WeakPolarHBondContact O-CD 3.46Å |
| 1087 | Y | 37.6 | Very low | 42.9 | Very low | 165 Ų | 165 | 71.3 Ų | 71.3 | 65% | 0.647 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.7 | -22.5 | 173.5 | -71.2 | -77.7 | 0 | 0 | 0 | 113 | L1084 L1085 P1090 | L1084-Y1087 PolarHBondContact O-N 2.83Å; L1085-Y1087 VanDerWaalsContact C-N 3.31Å; L1085-Y1087 PolarHBondContact O-N 3.12Å; Y1087-P1090 WeakPolarHBondContact O-CD 3.44Å |
| 1088 | M | 39.3 | Very low | 44.1 | Very low | 90 Ų | 90 | 70 Ų | 70 | 44% | 0.443 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | -8.5 | 169.8 | -55.1 | -173.7 | 73 | 0 | 0 | 112.8 | L1085 H1086 P1090 W1091 F1092 | L1085-M1088 PolarHBondContact O-N 3.37Å; L1085-M1088 VanDerWaalsContact O-N 3.1Å; H1086-M1088 PolarHBondContact O-N 2.75Å; M1088-P1090 VanDerWaalsContact C-CD 3.41Å; M1088-W1091 WeakPolarHBondContact O-CA 3.5Å; M1088-W1091 WeakPolarHBondContact O-CB 3.43Å; M1088-W1091 PolarHBondContact O-N 2.78Å; M1088-F1092 HydrophobicContact CB-CD2 4.19Å; M1088-F1092 HydrophobicContact CB-CE2 3.66Å; M1088-F1092 HydrophobicContact CE-CE2 4.16Å; M1088-F1092 HydrophobicContact CE-CZ 4.17Å; M1088-F1092 WeakPolarHBondContact O-CD2 3.43Å; M1088-F1092 PolarHBondContact O-N 3.24Å |
| 1089 | A | 35.9 | Very low | 45.5 | Very low | 20 Ų | 20 | 62.7 Ų | 62.7 | 17% | 0.165 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.5 | -42.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1085 H1086 W1091 F1092 G1093 | L1085-A1089 PolarHBondContact O-N 2.99Å; H1086-A1089 WeakPolarHBondContact O-CB 3.25Å; H1086-A1089 PolarHBondContact O-N 2.89Å; A1089-W1091 PolarHBondContact O-N 3.25Å; A1089-W1091 VanDerWaalsContact O-N 3.16Å; A1089-F1092 PolarHBondContact O-N 2.84Å; A1089-G1093 PolarHBondContact O-N 3.39Å |
| 1090 | P | 41.8 | Very low | 47.4 | Very low | 4 Ų | 4 | 58.4 Ų | 58.4 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.4 | -33 | 175.8 | -23.3 | 34.2 | 0 | 0 | 0 | 112 | I1074 H1086 Y1087 M1088 F1092 V1097 | I1074-P1090 HydrophobicContact CD1-CG 4.44Å; I1074-P1090 HydrophobicContact CG1-CB 4.45Å; I1074-P1090 HydrophobicContact CG1-CG 4.42Å; I1074-P1090 HydrophobicContact CG2-CB 3.69Å; I1074-P1090 HydrophobicContact CG2-CG 3.4Å; H1086-P1090 WeakPolarHBondContact O-CD 3.46Å; Y1087-P1090 WeakPolarHBondContact O-CD 3.44Å; M1088-P1090 VanDerWaalsContact C-CD 3.41Å; P1090-F1092 PolarHBondContact O-N 2.87Å; P1090-V1097 HydrophobicContact CB-CG1 4.34Å; P1090-V1097 HydrophobicContact CB-CG2 3.5Å; P1090-V1097 VanDerWaalsContact CB-CG2 3.5Å; P1090-V1097 VanDerWaalsContact O-CG2 3.31Å; P1090-V1097 WeakPolarHBondContact O-CG2 3.41Å |
| 1091 | W | 47 | Very low | 49.4 | Very low | 21 Ų | 21 | 53.7 Ų | 53.7 | 8% | 0.08 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.4 | -17.6 | -178.4 | -126.5 | 56.5 | 0 | 0 | 0 | 114.2 | K982 I984 L1021 M1088 A1089 | K982-W1091 WeakPolarHBondContact CD-O 3.47Å; K982-W1091 WeakPolarHBondContact CE-O 3.21Å; I984-W1091 HydrophobicContact CD1-CH2 3.83Å; I984-W1091 HydrophobicContact CD1-CZ3 4.18Å; I984-W1091 HydrophobicContact CG1-CH2 3.32Å; I984-W1091 HydrophobicContact CG1-CZ2 4.11Å; I984-W1091 HydrophobicContact CG1-CZ3 4.17Å; L1021-W1091 HydrophobicContact CB-CZ2 3.48Å; L1021-W1091 VanDerWaalsContact CB-CZ2 3.48Å; L1021-W1091 HydrophobicContact CD1-CZ2 4.38Å; L1021-W1091 HydrophobicContact CD2-CH2 3.92Å; L1021-W1091 HydrophobicContact CD2-CZ2 3.54Å; L1021-W1091 HydrophobicContact CG-CZ2 3.98Å; M1088-W1091 WeakPolarHBondContact O-CA 3.5Å; M1088-W1091 WeakPolarHBondContact O-CB 3.43Å; M1088-W1091 PolarHBondContact O-N 2.78Å; A1089-W1091 PolarHBondContact O-N 3.25Å; A1089-W1091 VanDerWaalsContact O-N 3.16Å |
| 1092 | F | 46.5 | Very low | 50.9 | Low | 45 Ų | 45 | 47 Ų | 47 | 20% | 0.197 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -110.4 | -6.5 | -177.9 | -62.4 | -77.6 | 0 | 0 | 0 | 114.2 | Q306 M1088 A1089 P1090 | Q306-F1092 HydrophobicContact CG-CB 3.79Å; Q306-F1092 PolarHBondContact NE2-O 3.26Å; M1088-F1092 HydrophobicContact CB-CD2 4.19Å; M1088-F1092 HydrophobicContact CB-CE2 3.66Å; M1088-F1092 HydrophobicContact CE-CE2 4.16Å; M1088-F1092 HydrophobicContact CE-CZ 4.17Å; M1088-F1092 WeakPolarHBondContact O-CD2 3.43Å; M1088-F1092 PolarHBondContact O-N 3.24Å; A1089-F1092 PolarHBondContact O-N 2.84Å; P1090-F1092 PolarHBondContact O-N 2.87Å |
| 1093 | G | 47.3 | Very low | 52.4 | Low | 5 Ų | 5 | 44 Ų | 44 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -91 | 169.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1089 N1095 | A1089-G1093 PolarHBondContact O-N 3.39Å; G1093-N1095 PolarHBondContact O-N 3.06Å |
| 1094 | P | 50.3 | Low | 53.7 | Low | 10 Ų | 10 | 39 Ų | 39 | 7% | 0.065 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -76.9 | 42.9 | 178.3 | 34 | -36.1 | 0 | 0 | 0 | 111.1 | V60 H63 L980 P1025 | V60-P1094 HydrophobicContact CB-CB 4.47Å; V60-P1094 HydrophobicContact CG1-CB 3.92Å; V60-P1094 HydrophobicContact CG1-CG 3.59Å; V60-P1094 HydrophobicContact CG2-CB 4.14Å; H63-P1094 HydrophobicContact CB-CG 4.25Å; H63-P1094 WeakPolarHBondContact CD2-CG 3.34Å; H63-P1094 VanDerWaalsContact NE2-CG 3.3Å; H63-P1094 WeakPolarHBondContact NE2-CG 3.39Å; L980-P1094 HydrophobicContact CD2-CB 4.48Å; P1025-P1094 HydrophobicContact CB-CB 4.45Å; P1025-P1094 WeakPolarHBondContact CD-O 3.47Å; P1025-P1094 HydrophobicContact CG-CB 4.48Å; P1025-P1094 VanDerWaalsContact CG-O 3.25Å; P1025-P1094 WeakPolarHBondContact CG-O 3.25Å |
| 1095 | N | 56.6 | Low | 55 | Low | 7 Ų | 7 | 40.9 Ų | 40.9 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -113.4 | 140.2 | -167.4 | -90.6 | -18.7 | 0 | 0 | 0 | 109.4 | S1023 T1075 G1093 V1097 | S1023-N1095 CarbonylContact C-O 3.52Å; S1023-N1095 PolarHBondContact OG-O 3Å; T1075-N1095 WeakPolarHBondContact OG1-CB 3.4Å; T1075-N1095 PolarHBondContact OG1-ND2 3.39Å; T1075-N1095 PolarHBondContact OG1-OD1 2.86Å; G1093-N1095 PolarHBondContact O-N 3.06Å; N1095-V1097 HydrophobicContact CB-CG2 4.24Å; N1095-V1097 PolarHBondContact O-N 3.26Å; N1095-V1097 VanDerWaalsContact O-N 3.07Å |
| 1096 | K | 62.9 | Low | 56.1 | Low | 128 Ų | 128 | 42.2 Ų | 42.2 | 56% | 0.557 | 20% | 0.199 | S | C | * | . | trans | -71.7 | 105.1 | 171.5 | -171.2 | -179.8 | 178 | -177.1 | 0 | 108.5 | S1023 | S1023-K1096 VanDerWaalsContact O-CA 3.28Å; S1023-K1096 WeakPolarHBondContact O-CA 3.4Å | ||
| 1097 | V | 63.3 | Low | 56.8 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.8 | 175.7 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | E1022 S1023 V1073 I1074 P1090 N1095 I1099 | E1022-V1097 CarbonylContact C-O 3.6Å; E1022-V1097 WeakPolarHBondContact CA-O 3.13Å; S1023-V1097 PolarHBondContact N-O 2.97Å; S1023-V1097 PolarHBondContact O-N 3Å; S1023-V1097 VanDerWaalsContact O-N 3.12Å; V1073-V1097 WeakPolarHBondContact O-CA 3.32Å; I1074-V1097 HydrophobicContact CG1-CG1 4.19Å; P1090-V1097 HydrophobicContact CB-CG1 4.34Å; P1090-V1097 HydrophobicContact CB-CG2 3.5Å; P1090-V1097 VanDerWaalsContact CB-CG2 3.5Å; P1090-V1097 VanDerWaalsContact O-CG2 3.31Å; P1090-V1097 WeakPolarHBondContact O-CG2 3.41Å; N1095-V1097 HydrophobicContact CB-CG2 4.24Å; N1095-V1097 PolarHBondContact O-N 3.26Å; N1095-V1097 VanDerWaalsContact O-N 3.07Å; V1097-I1099 HydrophobicContact CG1-CD1 4.15Å; V1097-I1099 HydrophobicContact CG1-CG1 4Å |
| 1098 | T | 69.4 | Low | 57.1 | Low | 32 Ų | 32 | 43.8 Ų | 43.8 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 115.7 | 171.1 | -56.2 | 0 | 0 | 0 | 0 | 107 | L1021 E1022 G1072 V1073 | L1021-T1098 CarbonylContact O-C 3.3Å; L1021-T1098 WeakPolarHBondContact O-CA 3.42Å; E1022-T1098 HydrophobicContact CG-CG2 3.88Å; G1072-T1098 CarbonylContact C-O 3.47Å; G1072-T1098 WeakPolarHBondContact CA-O 3.46Å; V1073-T1098 PolarHBondContact N-O 2.94Å; V1073-T1098 PolarHBondContact O-N 2.83Å |
| 1099 | I | 67.1 | Low | 57.1 | Low | 28 Ų | 28 | 45.8 Ų | 45.8 | 14% | 0.144 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.4 | 172.2 | -57.3 | 170.7 | 0 | 0 | 0 | 106.3 | K1020 L1021 F1055 R1071 I1074 V1097 | K1020-I1099 CarbonylContact C-O 3.56Å; K1020-I1099 WeakPolarHBondContact CA-O 3.27Å; L1021-I1099 HydrophobicContact CB-CB 4.26Å; L1021-I1099 PolarHBondContact N-O 2.72Å; L1021-I1099 PolarHBondContact O-N 3.19Å; F1055-I1099 HydrophobicContact CE1-CG1 4.46Å; F1055-I1099 HydrophobicContact CZ-CD1 4.49Å; F1055-I1099 HydrophobicContact CZ-CG1 4.14Å; F1055-I1099 HydrophobicContact CZ-CG2 4.18Å; R1071-I1099 CarbonylContact O-C 3.42Å; R1071-I1099 WeakPolarHBondContact O-CA 3.29Å; I1074-I1099 HydrophobicContact CD1-CD1 4.44Å; V1097-I1099 HydrophobicContact CG1-CD1 4.15Å; V1097-I1099 HydrophobicContact CG1-CG1 4Å |
| 1100 | S | 74.3 | Confident | 57.5 | Low | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 121.9 | 176.3 | 45.2 | 0 | 0 | 0 | 0 | 109.2 | L1019 M1070 R1071 | L1019-S1100 CarbonylContact O-C 3.47Å; L1019-S1100 VanDerWaalsContact O-CA 3.26Å; L1019-S1100 WeakPolarHBondContact O-CA 3.34Å; M1070-S1100 CarbonylContact C-O 3.48Å; M1070-S1100 WeakPolarHBondContact CA-O 3.41Å; R1071-S1100 WeakPolarHBondContact CG-OG 3.16Å; R1071-S1100 PolarHBondContact N-O 3.31Å; R1071-S1100 PolarHBondContact NE-OG 2.73Å; R1071-S1100 PolarHBondContact O-N 2.81Å |
| 1101 | A | 74.2 | Confident | 57.8 | Low | 19 Ų | 19 | 61.9 Ų | 61.9 | 16% | 0.157 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | D1017 L1018 L1019 C1069 M1070 | D1017-A1101 CarbonylContact C-O 3.6Å; L1018-A1101 WeakPolarHBondContact CA-O 3.46Å; L1018-A1101 PolarHBondContact N-O 2.93Å; L1019-A1101 HydrophobicContact CB-CB 4.31Å; L1019-A1101 PolarHBondContact N-O 3.45Å; L1019-A1101 PolarHBondContact O-N 3.28Å; C1069-A1101 CarbonylContact O-C 3.53Å; C1069-A1101 VanDerWaalsContact O-CA 3.28Å; C1069-A1101 WeakPolarHBondContact O-CA 3.35Å; M1070-A1101 HydrophobicContact CG-CB 4.06Å |
| 1102 | Y | 71.2 | Confident | 57.5 | Low | 7 Ų | 7 | 64.6 Ų | 64.6 | 3% | 0.027 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 153.6 | 178.9 | 61.2 | -87.2 | 0 | 0 | 0 | 109.7 | Y1015 K1016 K1056 C1069 R1071 R1104 | Y1015-Y1102 AromaticContact CD1-CD2 3.59Å; Y1015-Y1102 HydrophobicContact CD1-CD2 3.59Å; Y1015-Y1102 AromaticContact CD1-CE2 3.54Å; Y1015-Y1102 HydrophobicContact CD1-CE2 3.54Å; Y1015-Y1102 HydrophobicContact CE1-CD2 4.24Å; Y1015-Y1102 AromaticContact CE1-CE2 3.76Å; Y1015-Y1102 HydrophobicContact CE1-CE2 3.76Å; K1016-Y1102 VanDerWaalsContact O-CA 3.29Å; K1016-Y1102 WeakPolarHBondContact O-CA 3.35Å; K1016-Y1102 WeakPolarHBondContact O-CB 3.46Å; K1056-Y1102 WeakPolarHBondContact CE-OH 3.5Å; K1056-Y1102 PolarHBondContact NZ-OH 3.19Å; C1069-Y1102 HydrophobicContact CB-CD1 4.22Å; C1069-Y1102 HydrophobicContact CB-CD2 3.97Å; C1069-Y1102 HydrophobicContact CB-CE1 3.69Å; C1069-Y1102 HydrophobicContact CB-CE2 3.45Å; C1069-Y1102 VanDerWaalsContact CB-CE2 3.45Å; C1069-Y1102 HydrophobicContact CB-CG 4.35Å; C1069-Y1102 PolarHBondContact N-O 2.79Å; C1069-Y1102 WeakPolarHBondContact O-CD1 3.34Å; C1069-Y1102 PolarHBondContact O-N 3.33Å; R1071-Y1102 HydrophobicContact CB-CE1 4.05Å; R1071-Y1102 HydrophobicContact CG-CD1 4.25Å; R1071-Y1102 HydrophobicContact CG-CE1 3.67Å; Y1102-R1104 HydrophobicContact CD2-CB 4.39Å; Y1102-R1104 HydrophobicContact CE2-CB 4.26Å |
| 1103 | M | 68 | Low | 57.5 | Low | 43 Ų | 43 | 69.4 Ų | 69.4 | 21% | 0.212 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 136.2 | 172.5 | -165.8 | 165.7 | 65.1 | 0 | 0 | 108.8 | K1016 L1018 S1066 E1067 | K1016-M1103 PolarHBondContact O-N 3.24Å; L1018-M1103 HydrophobicContact CD1-CB 4.27Å; S1066-M1103 VanDerWaalsContact CB-SD 3.57Å; E1067-M1103 CarbonylContact O-C 3.6Å; E1067-M1103 WeakPolarHBondContact O-CA 2.98Å |
| 1104 | R | 66.6 | Low | 57.3 | Low | 43 Ų | 43 | 77.8 Ų | 77.8 | 16% | 0.162 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 151.2 | 171.9 | 72.9 | 169.2 | -177.9 | 161.4 | -0.3 | 111.4 | Y1015 E1067 Y1102 E1107 | Y1015-R1104 HydrophobicContact CD1-CB 3.84Å; Y1015-R1104 HydrophobicContact CE1-CB 3.46Å; Y1015-R1104 VanDerWaalsContact CE1-CB 3.46Å; Y1015-R1104 HydrophobicContact CE1-CG 4.36Å; E1067-R1104 HydrophobicContact CB-CG 4.04Å; E1067-R1104 PolarHBondContact N-O 2.75Å; E1067-R1104 PolarHBondContact O-N 2.79Å; E1067-R1104 IonicContact OE1-NH2 3.46Å; E1067-R1104 IonicContact OE2-CZ 2.79Å; E1067-R1104 IonicContact OE2-NE 2.73Å; E1067-R1104 PolarHBondContact OE2-NE 2.8Å; E1067-R1104 IonicContact OE2-NH2 3.32Å; E1067-R1104 PolarHBondContact OE2-NH2 2.79Å; Y1102-R1104 HydrophobicContact CD2-CB 4.39Å; Y1102-R1104 HydrophobicContact CE2-CB 4.26Å; R1104-E1107 IonicContact NH1-OE1 3.3Å; R1104-E1107 PolarHBondContact NH1-OE1 2.84Å |
| 1105 | R | 61.6 | Low | 57 | Low | 119 Ų | 119 | 84.5 Ų | 84.5 | 45% | 0.449 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 141.8 | 165.3 | -73.4 | -177.6 | 172.3 | 179.3 | -7.5 | 108.9 | E1013 E1107 | E1013-R1105 VanDerWaalsContact CD-NH2 3.33Å; E1013-R1105 IonicContact OE1-CZ 3.97Å; E1013-R1105 IonicContact OE1-NH1 3.84Å; E1013-R1105 PolarHBondContact OE1-NH1 3.46Å; E1013-R1105 IonicContact OE1-NH2 2.92Å; E1013-R1105 PolarHBondContact OE1-NH2 3.31Å; R1105-E1107 PolarHBondContact O-N 2.91Å |
| 1106 | T | 57.5 | Low | 56.4 | Low | 58 Ų | 58 | 87 Ų | 87 | 36% | 0.356 | 43% | 0.434 | S | S | . | . | trans | -67 | 114.6 | 165.4 | 35.1 | 0 | 0 | 0 | 0 | 108.4 | E1108 | T1106-E1108 PolarHBondContact O-N 2.84Š| ||
| 1107 | E | 53.3 | Low | 55.8 | Low | 133 Ų | 133 | 85.1 Ų | 85.1 | 62% | 0.621 | 42% | 0.423 | S | S | * | . | trans | -61.2 | 107.8 | 176.7 | -73.2 | 157.4 | -147.9 | 0 | 0 | 109.7 | R1104 R1105 | R1104-E1107 IonicContact NH1-OE1 3.3Å; R1104-E1107 PolarHBondContact NH1-OE1 2.84Å; R1105-E1107 PolarHBondContact O-N 2.91Å | ||
| 1108 | E | 45.5 | Very low | 55.3 | Low | 104 Ų | 104 | 88.2 Ų | 88.2 | 49% | 0.486 | 44% | 0.438 | S | S | . | . | trans | -161.8 | 112.5 | 167.2 | -109.2 | 171.4 | -133.9 | 0 | 0 | 111.8 | T1106 R1141 | T1106-E1108 PolarHBondContact O-N 2.84Å; E1108-R1141 IonicContact OE2-CZ 3.14Å; E1108-R1141 IonicContact OE2-NH1 3.68Å; E1108-R1141 PolarHBondContact OE2-NH1 3.08Å | ||
| 1109 | N | 39.8 | Very low | 54.5 | Low | 132 Ų | 132 | 87.6 Ų | 87.6 | 71% | 0.706 | 43% | 0.434 | S | S | * | . | trans | 42.7 | 118.8 | 168.8 | -69.5 | -5.1 | 0 | 0 | 0 | 121 | N1111 | N1109-N1111 PolarHBondContact O-N 3.23Š| ||
| 1110 | E | 42.7 | Very low | 53.7 | Low | 203 Ų | 203 | 86.3 Ų | 86.3 | 95% | 0.949 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 11.7 | 179.9 | -64.7 | 179.3 | 150.3 | 0 | 0 | 116.5 | ||
| 1111 | N | 48.7 | Very low | 52.5 | Low | 159 Ų | 159 | 88.9 Ų | 88.9 | 85% | 0.85 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | 11.8 | -170.8 | -79.4 | -13.4 | 0 | 0 | 0 | 115.8 | N1109 | N1109-N1111 PolarHBondContact O-N 3.23Š|
| 1112 | E | 41.4 | Very low | 51.5 | Low | 79 Ų | 79 | 88 Ų | 88 | 37% | 0.369 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -111.2 | 126 | 178.6 | -76.9 | 179.6 | -175.7 | 0 | 0 | 112.2 | E1114 R1117 R1141 | E1112-E1114 PolarHBondContact O-N 2.92Å; E1112-R1117 IonicContact OE2-CZ 3.63Å; E1112-R1117 IonicContact OE2-NE 2.81Å; E1112-R1117 IonicContact OE2-NH2 3.74Å; E1112-R1117 PolarHBondContact OE2-NH2 2.84Å; E1112-R1141 IonicContact OE1-CZ 2.81Å; E1112-R1141 IonicContact OE1-NH2 3.79Å; E1112-R1141 PolarHBondContact OE1-NH2 3.27Å; E1112-R1141 VanDerWaalsContact OE1-NH2 3.08Å |
| 1113 | N | 45.5 | Very low | 50.5 | Low | 146 Ų | 146 | 90.2 Ų | 90.2 | 78% | 0.781 | 45% | 0.445 | S | S | * | . | trans | -40.8 | 124.8 | -180 | -103.4 | -19.6 | 0 | 0 | 0 | 113.5 | N1115 S1116 | N1113-N1115 PolarHBondContact O-N 3.07Å; N1113-S1116 WeakPolarHBondContact O-CB 3.47Å; N1113-S1116 PolarHBondContact O-N 3.04Å; N1113-S1116 VanDerWaalsContact O-N 3.14Å; N1113-S1116 PolarHBondContact O-OG 2.83Å | ||
| 1114 | E | 42.9 | Very low | 50.1 | Low | 180 Ų | 180 | 91.6 Ų | 91.6 | 84% | 0.841 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -55.8 | -20.8 | -175.3 | -71.8 | -178.1 | 147.5 | 0 | 0 | 114.8 | E1112 S1116 | E1112-E1114 PolarHBondContact O-N 2.92Å; E1114-S1116 VanDerWaalsContact C-N 3.31Å; E1114-S1116 PolarHBondContact O-N 2.96Å |
| 1115 | N | 44.9 | Very low | 49.3 | Very low | 152 Ų | 152 | 91.5 Ų | 91.5 | 81% | 0.813 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -79 | -4.1 | 180 | -77.6 | -21.7 | 0 | 0 | 0 | 115.1 | N1113 | N1113-N1115 PolarHBondContact O-N 3.07Š|
| 1116 | S | 42.8 | Very low | 49 | Very low | 59 Ų | 59 | 87.1 Ų | 87.1 | 41% | 0.413 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -96 | 5 | -164.3 | 63.3 | 0 | 0 | 0 | 0 | 116.9 | N1113 E1114 | N1113-S1116 WeakPolarHBondContact O-CB 3.47Å; N1113-S1116 PolarHBondContact O-N 3.04Å; N1113-S1116 VanDerWaalsContact O-N 3.14Å; N1113-S1116 PolarHBondContact O-OG 2.83Å; E1114-S1116 VanDerWaalsContact C-N 3.31Å; E1114-S1116 PolarHBondContact O-N 2.96Å |
| 1117 | R | 50.8 | Low | 48.6 | Very low | 88 Ų | 88 | 88.5 Ų | 88.5 | 33% | 0.332 | 45% | 0.452 | S | S | . | . | trans | -130.9 | 66.4 | -172.4 | -58.3 | -175.3 | -178.5 | 168.7 | 0.3 | 113.8 | E1112 | E1112-R1117 IonicContact OE2-CZ 3.63Å; E1112-R1117 IonicContact OE2-NE 2.81Å; E1112-R1117 IonicContact OE2-NH2 3.74Å; E1112-R1117 PolarHBondContact OE2-NH2 2.84Å | ||
| 1118 | Q | 53.1 | Low | 48.3 | Very low | 65 Ų | 65 | 89 Ų | 89 | 30% | 0.304 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 143.7 | 171.1 | -64.3 | -179.4 | -6.1 | 0 | 0 | 110.2 | ||
| 1119 | V | 53.2 | Low | 48.4 | Very low | 20 Ų | 20 | 89.2 Ų | 89.2 | 12% | 0.121 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 114.3 | 167.3 | 179.6 | 0 | 0 | 0 | 0 | 107.4 | Q1008 M1009 Y1136 E1137 | Q1008-V1119 WeakPolarHBondContact CA-O 2.72Å; M1009-V1119 PolarHBondContact N-O 3.38Å; M1009-V1119 PolarHBondContact O-N 2.75Å; V1119-Y1136 HydrophobicContact CG1-CE2 3.7Å; V1119-E1137 WeakPolarHBondContact CA-O 3.38Å |
| 1120 | G | 50.4 | Low | 48.8 | Very low | 1 Ų | 1 | 87.9 Ų | 87.9 | 1% | 0.01 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 130 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | I1007 Y1136 E1137 | I1007-G1120 CarbonylContact O-C 3.55Å; I1007-G1120 WeakPolarHBondContact O-CA 3.06Å; G1120-Y1136 WeakPolarHBondContact O-CA 3.41Å; G1120-E1137 PolarHBondContact N-O 3.4Å; G1120-E1137 PolarHBondContact O-N 3.19Å |
| 1121 | L | 48.3 | Very low | 48.9 | Very low | 57 Ų | 57 | 80.1 Ų | 80.1 | 30% | 0.298 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 114.5 | 162.5 | -178.8 | 71.8 | 0 | 0 | 0 | 107.6 | K1006 I1007 I1123 L1134 | K1006-L1121 CarbonylContact C-O 3.55Å; K1006-L1121 WeakPolarHBondContact CA-O 3.46Å; I1007-L1121 PolarHBondContact N-O 3.33Å; I1007-L1121 PolarHBondContact O-N 3.33Å; L1121-I1123 HydrophobicContact CD2-CD1 4.22Å; L1121-I1123 HydrophobicContact CD2-CG1 4.38Å; L1121-I1123 HydrophobicContact CG-CG1 4.23Å; L1121-L1134 HydrophobicContact CD1-CD2 3.68Å |
| 1122 | T | 53.6 | Low | 48.5 | Very low | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 123.4 | 172.7 | -57.1 | 0 | 0 | 0 | 0 | 108.2 | Q1004 L1005 K1006 R1124 E1135 | Q1004-T1122 HydrophobicContact CG-CG2 3.71Å; L1005-T1122 CarbonylContact O-C 3.54Å; L1005-T1122 WeakPolarHBondContact O-CA 3.28Å; K1006-T1122 WeakPolarHBondContact CG-OG1 3.45Å; T1122-R1124 HydrophobicContact CG2-CG 4.03Å; T1122-E1135 HydrophobicContact CG2-CB 4.49Å; T1122-E1135 PolarHBondContact N-O 3.18Å; T1122-E1135 PolarHBondContact O-N 3.44Å |
| 1123 | I | 51.1 | Low | 48.9 | Very low | 53 Ų | 53 | 73.6 Ų | 73.6 | 27% | 0.272 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 118.3 | 172.2 | -53.6 | 178 | 0 | 0 | 0 | 105.8 | Q1004 L1005 L1121 L1132 E1133 L1134 | Q1004-I1123 CarbonylContact C-O 3.39Å; Q1004-I1123 WeakPolarHBondContact CA-O 3.14Å; L1005-I1123 HydrophobicContact CB-CB 4.47Å; L1005-I1123 PolarHBondContact N-O 3.15Å; L1005-I1123 PolarHBondContact O-N 3.24Å; L1121-I1123 HydrophobicContact CD2-CD1 4.22Å; L1121-I1123 HydrophobicContact CD2-CG1 4.38Å; L1121-I1123 HydrophobicContact CG-CG1 4.23Å; I1123-L1132 HydrophobicContact CG2-CD1 4.06Å; I1123-E1133 CarbonylContact C-O 3.49Å; I1123-E1133 WeakPolarHBondContact CA-O 3.48Å; I1123-L1134 HydrophobicContact CG1-CD2 4.48Å; I1123-L1134 HydrophobicContact CG1-CG 4.33Å |
| 1124 | R | 59.3 | Low | 48.9 | Very low | 73 Ų | 73 | 69.8 Ų | 69.8 | 28% | 0.275 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 137 | 169.6 | -52 | -173.5 | -178.8 | 127.6 | 6.4 | 109.8 | E1003 Q1004 T1122 L1132 E1133 E1135 | E1003-R1124 CarbonylContact O-C 3.49Å; E1003-R1124 VanDerWaalsContact O-CA 3.27Å; E1003-R1124 WeakPolarHBondContact O-CA 3.24Å; Q1004-R1124 HydrophobicContact CB-CG 4.12Å; Q1004-R1124 HydrophobicContact CG-CG 3.86Å; T1122-R1124 HydrophobicContact CG2-CG 4.03Å; R1124-L1132 WeakPolarHBondContact O-CA 3Å; R1124-E1133 HydrophobicContact CB-CB 4.14Å; R1124-E1133 PolarHBondContact N-O 3.03Å; R1124-E1133 IonicContact NH1-OE2 3.43Å; R1124-E1133 PolarHBondContact NH1-OE2 2.6Å; R1124-E1133 PolarHBondContact O-N 3.49Å; R1124-E1135 IonicContact CZ-OE2 3.24Å; R1124-E1135 VanDerWaalsContact CZ-OE2 3.22Å; R1124-E1135 IonicContact NE-OE2 3.28Å; R1124-E1135 IonicContact NH1-OE2 2.72Å; R1124-E1135 IonicContact NH2-OE2 2.88Å; R1124-E1135 PolarHBondContact NH2-OE2 2.8Å |
| 1125 | S | 49.1 | Very low | 49.3 | Very low | 41 Ų | 41 | 61.5 Ų | 61.5 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 116.9 | 174.5 | 178.6 | 0 | 0 | 0 | 0 | 108.7 | E1003 | E1003-S1125 PolarHBondContact N-O 3.14Å; E1003-S1125 VanDerWaalsContact N-O 3.11Å; E1003-S1125 PolarHBondContact O-N 3.03Å |
| 1126 | D | 54.7 | Low | 49.6 | Very low | 26 Ų | 26 | 57.2 Ų | 57.2 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 106.9 | 167 | 173 | -13.9 | 0 | 0 | 0 | 107.2 | M1128 Q1129 N1130 K1131 | D1126-M1128 VanDerWaalsContact C-N 3.26Å; D1126-M1128 PolarHBondContact O-N 3.43Å; D1126-M1128 WeakPolarHBondContact OD1-CA 3.09Å; D1126-M1128 PolarHBondContact OD1-N 3Å; D1126-Q1129 PolarHBondContact OD1-N 3.21Å; D1126-Q1129 WeakPolarHBondContact OD2-CB 3.47Å; D1126-Q1129 WeakPolarHBondContact OD2-CG 3.34Å; D1126-N1130 PolarHBondContact O-N 2.7Å; D1126-K1131 HydrophobicContact CB-CB 4.26Å; D1126-K1131 PolarHBondContact N-O 2.95Å; D1126-K1131 PolarHBondContact O-N 2.75Å |
| 1127 | S | 50.1 | Low | 50.2 | Low | 88 Ų | 88 | 57.7 Ų | 57.7 | 62% | 0.615 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -21.6 | -176 | 69.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1128 | M | 45.9 | Very low | 50 | Low | 142 Ų | 142 | 55 Ų | 55 | 70% | 0.7 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -35.1 | -179.9 | -68.8 | -123.2 | -97.3 | 0 | 0 | 111.9 | D1126 | D1126-M1128 VanDerWaalsContact C-N 3.26Å; D1126-M1128 PolarHBondContact O-N 3.43Å; D1126-M1128 WeakPolarHBondContact OD1-CA 3.09Å; D1126-M1128 PolarHBondContact OD1-N 3Å |
| 1129 | Q | 49.1 | Very low | 49.8 | Very low | 109 Ų | 109 | 53.2 Ų | 53.2 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 4.1 | -179.2 | -65.6 | -164.2 | 4.1 | 0 | 0 | 115.4 | D1126 K1131 | D1126-Q1129 PolarHBondContact OD1-N 3.21Å; D1126-Q1129 WeakPolarHBondContact OD2-CB 3.47Å; D1126-Q1129 WeakPolarHBondContact OD2-CG 3.34Å; Q1129-K1131 HydrophobicContact CB-CB 3.93Å; Q1129-K1131 PolarHBondContact O-N 3.38Å |
| 1130 | N | 47.2 | Very low | 49.3 | Very low | 105 Ų | 105 | 56 Ų | 56 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 43.6 | -170.3 | -76.6 | -40.9 | 0 | 0 | 0 | 111.6 | D1126 | D1126-N1130 PolarHBondContact O-N 2.7Š|
| 1131 | K | 44.2 | Very low | 49.1 | Very low | 39 Ų | 39 | 62.4 Ų | 62.4 | 17% | 0.17 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 115.9 | -170.2 | -179.4 | -169.5 | 170.4 | -154.8 | 0 | 109 | D1126 Q1129 E1133 K1151 | D1126-K1131 HydrophobicContact CB-CB 4.26Å; D1126-K1131 PolarHBondContact N-O 2.95Å; D1126-K1131 PolarHBondContact O-N 2.75Å; Q1129-K1131 HydrophobicContact CB-CB 3.93Å; Q1129-K1131 PolarHBondContact O-N 3.38Å; K1131-E1133 VanDerWaalsContact CE-CD 3.46Å; K1131-E1133 WeakPolarHBondContact CE-OE1 3.47Å; K1131-E1133 HydrophobicContact CG-CG 4.35Å; K1131-E1133 IonicContact NZ-OE1 3.82Å; K1131-E1133 PolarHBondContact NZ-OE1 3.34Å; K1131-K1151 HydrophobicContact CD-CD 4.44Å; K1131-K1151 HydrophobicContact CD-CG 4.5Å; K1131-K1151 VanDerWaalsContact CE-CE 3.43Å; K1131-K1151 HydrophobicContact CG-CG 4.06Å |
| 1132 | L | 42.1 | Very low | 48.5 | Very low | 70 Ų | 70 | 61.6 Ų | 61.6 | 37% | 0.366 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 121.8 | 169.6 | -169.9 | 80.4 | 0 | 0 | 0 | 107.4 | I1123 R1124 L1134 A1150 L1152 | I1123-L1132 HydrophobicContact CG2-CD1 4.06Å; R1124-L1132 WeakPolarHBondContact O-CA 3Å; L1132-L1134 HydrophobicContact CD2-CD1 3.95Å; L1132-L1134 HydrophobicContact CG-CD1 4.5Å; L1132-A1150 VanDerWaalsContact O-O 3.09Å; L1132-L1152 PolarHBondContact O-N 2.91Å |
| 1133 | E | 48.7 | Very low | 47.6 | Very low | 31 Ų | 31 | 70.3 Ų | 70.3 | 15% | 0.145 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.7 | 168.4 | -55.7 | -173.8 | 152.1 | 0 | 0 | 108.9 | I1123 R1124 K1131 A1150 | I1123-E1133 CarbonylContact C-O 3.49Å; I1123-E1133 WeakPolarHBondContact CA-O 3.48Å; R1124-E1133 HydrophobicContact CB-CB 4.14Å; R1124-E1133 PolarHBondContact N-O 3.03Å; R1124-E1133 IonicContact NH1-OE2 3.43Å; R1124-E1133 PolarHBondContact NH1-OE2 2.6Å; R1124-E1133 PolarHBondContact O-N 3.49Å; K1131-E1133 VanDerWaalsContact CE-CD 3.46Å; K1131-E1133 WeakPolarHBondContact CE-OE1 3.47Å; K1131-E1133 HydrophobicContact CG-CG 4.35Å; K1131-E1133 IonicContact NZ-OE1 3.82Å; K1131-E1133 PolarHBondContact NZ-OE1 3.34Å; E1133-A1150 WeakPolarHBondContact CA-O 3.22Å |
| 1134 | L | 45.1 | Very low | 46.9 | Very low | 66 Ų | 66 | 73.2 Ų | 73.2 | 35% | 0.346 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 128.7 | 159.9 | -99.1 | 111.1 | 0 | 0 | 0 | 107.6 | L1121 I1123 L1132 V1148 D1149 A1150 | L1121-L1134 HydrophobicContact CD1-CD2 3.68Å; I1123-L1134 HydrophobicContact CG1-CD2 4.48Å; I1123-L1134 HydrophobicContact CG1-CG 4.33Å; L1132-L1134 HydrophobicContact CD2-CD1 3.95Å; L1132-L1134 HydrophobicContact CG-CD1 4.5Å; L1134-V1148 CarbonylContact C-O 3.51Å; L1134-D1149 WeakPolarHBondContact O-CA 3.31Å; L1134-A1150 HydrophobicContact CB-CB 4.41Å; L1134-A1150 PolarHBondContact N-O 3.49Å; L1134-A1150 PolarHBondContact O-N 2.81Å |
| 1135 | E | 51.3 | Low | 45.8 | Very low | 7 Ų | 7 | 74 Ų | 74 | 3% | 0.033 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 108 | 175.1 | 164.7 | -176.8 | -153.6 | 0 | 0 | 107.4 | T1122 R1124 E1137 K1147 V1148 | T1122-E1135 HydrophobicContact CG2-CB 4.49Å; T1122-E1135 PolarHBondContact N-O 3.18Å; T1122-E1135 PolarHBondContact O-N 3.44Å; R1124-E1135 IonicContact CZ-OE2 3.24Å; R1124-E1135 VanDerWaalsContact CZ-OE2 3.22Å; R1124-E1135 IonicContact NE-OE2 3.28Å; R1124-E1135 IonicContact NH1-OE2 2.72Å; R1124-E1135 IonicContact NH2-OE2 2.88Å; R1124-E1135 PolarHBondContact NH2-OE2 2.8Å; E1135-E1137 HydrophobicContact CG-CG 4.44Å; E1135-K1147 HydrophobicContact CG-CG 4.18Å; E1135-K1147 WeakPolarHBondContact OE1-CE 3.42Å; E1135-K1147 IonicContact OE1-NZ 3.81Å; E1135-K1147 PolarHBondContact OE1-NZ 3.19Å; E1135-V1148 WeakPolarHBondContact CA-O 3.12Å |
| 1136 | Y | 50.9 | Low | 45.4 | Very low | 62 Ų | 62 | 73 Ų | 73 | 24% | 0.243 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 118.5 | 174.2 | -178.4 | -115.2 | 0 | 0 | 0 | 108.7 | V1119 G1120 T1138 T1146 V1148 | V1119-Y1136 HydrophobicContact CG1-CE2 3.7Å; G1120-Y1136 WeakPolarHBondContact O-CA 3.41Å; Y1136-T1138 HydrophobicContact CD1-CG2 3.69Å; Y1136-T1138 HydrophobicContact CE1-CG2 3.01Å; Y1136-T1138 HydrophobicContact CE2-CG2 4.42Å; Y1136-T1138 VanDerWaalsContact CZ-CG2 3.44Å; Y1136-T1146 VanDerWaalsContact O-O 3.11Å; Y1136-V1148 PolarHBondContact N-O 2.92Å |
| 1137 | E | 55.3 | Low | 44.7 | Very low | 69 Ų | 69 | 75.3 Ų | 75.3 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119.1 | 175.1 | -75.8 | -177.8 | 148.6 | 0 | 0 | 109.2 | K1006 V1119 G1120 E1135 | K1006-E1137 IonicContact NZ-OE2 3.3Å; V1119-E1137 WeakPolarHBondContact CA-O 3.38Å; G1120-E1137 PolarHBondContact N-O 3.4Å; G1120-E1137 PolarHBondContact O-N 3.19Å; E1135-E1137 HydrophobicContact CG-CG 4.44Å |
| 1138 | T | 48.1 | Very low | 44.4 | Very low | 32 Ų | 32 | 73 Ų | 73 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | trans | -108.7 | 159.1 | 167.3 | 57.7 | 0 | 0 | 0 | 0 | 110.4 | Y1136 S1142 | Y1136-T1138 HydrophobicContact CD1-CG2 3.69Å; Y1136-T1138 HydrophobicContact CE1-CG2 3.01Å; Y1136-T1138 HydrophobicContact CE2-CG2 4.42Å; Y1136-T1138 VanDerWaalsContact CZ-CG2 3.44Å; T1138-S1142 PolarHBondContact OG1-OG 2.93Å | ||
| 1139 | S | 47.6 | Very low | 44.6 | Very low | 26 Ų | 26 | 66.6 Ų | 66.6 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | trans | -59.2 | 148 | 170.8 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | R1141 S1142 | S1139-R1141 PolarHBondContact O-N 3.09Å; S1139-S1142 PolarHBondContact O-N 3.41Å | ||
| 1140 | S | 44.1 | Very low | 44.4 | Very low | 78 Ų | 78 | 62.9 Ų | 62.9 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | 2.9 | -169.6 | 49.6 | 0 | 0 | 0 | 0 | 118.2 | ||
| 1141 | R | 44.4 | Very low | 44.7 | Very low | 136 Ų | 136 | 60.9 Ų | 60.9 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -134.3 | 20.3 | -179 | -64.9 | -169.3 | -172.1 | -176.1 | 4 | 115.2 | E1108 E1112 S1139 | E1108-R1141 IonicContact OE2-CZ 3.14Å; E1108-R1141 IonicContact OE2-NH1 3.68Å; E1108-R1141 PolarHBondContact OE2-NH1 3.08Å; E1112-R1141 IonicContact OE1-CZ 2.81Å; E1112-R1141 IonicContact OE1-NH2 3.79Å; E1112-R1141 PolarHBondContact OE1-NH2 3.27Å; E1112-R1141 VanDerWaalsContact OE1-NH2 3.08Å; S1139-R1141 PolarHBondContact O-N 3.09Å |
| 1142 | S | 36.7 | Very low | 44.9 | Very low | 40 Ų | 40 | 62.5 Ų | 62.5 | 28% | 0.28 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -59.7 | 144.5 | 162.7 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | T1138 S1139 I1144 P1145 | T1138-S1142 PolarHBondContact OG1-OG 2.93Å; S1139-S1142 PolarHBondContact O-N 3.41Å; S1142-I1144 CarbonylContact O-C 3.53Å; S1142-I1144 PolarHBondContact O-N 2.86Å; S1142-I1144 PolarHBondContact OG-O 2.92Å; S1142-P1145 WeakPolarHBondContact O-CD 3.47Å |
| 1143 | L | 34.6 | Very low | 45.3 | Very low | 184 Ų | 184 | 62.7 Ų | 62.7 | 96% | 0.963 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -52.5 | -11.6 | 174.4 | -88.8 | 149.1 | 0 | 0 | 0 | 113.6 | ||
| 1144 | I | 35.9 | Very low | 45.1 | Very low | 113 Ų | 113 | 66.4 Ų | 66.4 | 58% | 0.579 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -131.7 | 94.5 | 168.3 | -51.8 | 174.2 | 0 | 0 | 0 | 106 | S1142 T1146 | S1142-I1144 CarbonylContact O-C 3.53Å; S1142-I1144 PolarHBondContact O-N 2.86Å; S1142-I1144 PolarHBondContact OG-O 2.92Å; I1144-T1146 HydrophobicContact CG2-CG2 3.7Å; I1144-T1146 WeakPolarHBondContact CG2-OG1 3.49Å; I1144-T1146 PolarHBondContact O-N 3.34Å |
| 1145 | P | 36.1 | Very low | 45.2 | Very low | 91 Ų | 91 | 70.6 Ų | 70.6 | 59% | 0.591 | 36% | 0.36 | S | S | * | . | trans | -81.2 | 97.2 | 174.6 | 30.2 | -27.1 | 0 | 0 | 0 | 107.2 | S1142 | S1142-P1145 WeakPolarHBondContact O-CD 3.47Š| ||
| 1146 | T | 41.1 | Very low | 44.5 | Very low | 20 Ų | 20 | 73.5 Ų | 73.5 | 12% | 0.123 | 39% | 0.391 | C | S | . | . | trans | -141.8 | 113.9 | -178.2 | 47.4 | 0 | 0 | 0 | 0 | 109.5 | Y1136 I1144 V1148 M1168 | Y1136-T1146 VanDerWaalsContact O-O 3.11Å; I1144-T1146 HydrophobicContact CG2-CG2 3.7Å; I1144-T1146 WeakPolarHBondContact CG2-OG1 3.49Å; I1144-T1146 PolarHBondContact O-N 3.34Å; T1146-V1148 PolarHBondContact O-N 3.18Å; T1146-V1148 WeakPolarHBondContact OG1-CG2 3.43Å; T1146-M1168 HydrophobicContact CG2-CB 4.04Å; T1146-M1168 HydrophobicContact CG2-CE 4.39Å; T1146-M1168 HydrophobicContact CG2-CG 3.71Å; T1146-M1168 HydrophobicContact CG2-SD 3.67Å | ||
| 1147 | K | 40.5 | Very low | 43.8 | Very low | 74 Ų | 74 | 79.4 Ų | 79.4 | 32% | 0.322 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 97.1 | 140.8 | -177.1 | 175.1 | 175.4 | 146.5 | 0 | 105.6 | E1135 D1149 | E1135-K1147 HydrophobicContact CG-CG 4.18Å; E1135-K1147 WeakPolarHBondContact OE1-CE 3.42Å; E1135-K1147 IonicContact OE1-NZ 3.81Å; E1135-K1147 PolarHBondContact OE1-NZ 3.19Å; K1147-D1149 WeakPolarHBondContact CE-OD1 3.44Å; K1147-D1149 PolarHBondContact O-N 3.47Å |
| 1148 | V | 43.8 | Very low | 43 | Very low | 39 Ų | 39 | 83.2 Ų | 83.2 | 24% | 0.236 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 97.4 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 105.2 | L1134 E1135 Y1136 T1146 A1150 I1166 | L1134-V1148 CarbonylContact C-O 3.51Å; E1135-V1148 WeakPolarHBondContact CA-O 3.12Å; Y1136-V1148 PolarHBondContact N-O 2.92Å; T1146-V1148 PolarHBondContact O-N 3.18Å; T1146-V1148 WeakPolarHBondContact OG1-CG2 3.43Å; V1148-A1150 PolarHBondContact O-N 3.08Å; V1148-I1166 HydrophobicContact CG1-CG2 3.83Å |
| 1149 | D | 49.1 | Very low | 42.5 | Very low | 8 Ų | 8 | 84.2 Ų | 84.2 | 4% | 0.043 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 97.3 | 165.5 | -75.4 | -11.7 | 0 | 0 | 0 | 106.3 | L1134 K1147 N1167 K1169 | L1134-D1149 WeakPolarHBondContact O-CA 3.31Å; K1147-D1149 WeakPolarHBondContact CE-OD1 3.44Å; K1147-D1149 PolarHBondContact O-N 3.47Å; D1149-N1167 HydrophobicContact CB-CB 4.2Å; D1149-N1167 PolarHBondContact N-O 3.46Å; D1149-N1167 VanDerWaalsContact N-O 3.08Å; D1149-N1167 PolarHBondContact O-N 3.42Å; D1149-K1169 WeakPolarHBondContact OD2-CD 3.28Å; D1149-K1169 WeakPolarHBondContact OD2-CE 3.49Å; D1149-K1169 IonicContact OD2-NZ 3.34Å; D1149-K1169 PolarHBondContact OD2-NZ 3.33Å |
| 1150 | A | 46.6 | Very low | 42.3 | Very low | 30 Ų | 30 | 90 Ų | 90 | 25% | 0.248 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 106.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | L1132 E1133 L1134 V1148 | L1132-A1150 VanDerWaalsContact O-O 3.09Å; E1133-A1150 WeakPolarHBondContact CA-O 3.22Å; L1134-A1150 HydrophobicContact CB-CB 4.41Å; L1134-A1150 PolarHBondContact N-O 3.49Å; L1134-A1150 PolarHBondContact O-N 2.81Å; V1148-A1150 PolarHBondContact O-N 3.08Å |
| 1151 | K | 53.5 | Low | 42.3 | Very low | 63 Ų | 63 | 91.9 Ų | 91.9 | 27% | 0.274 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 112.2 | 176.4 | -172.3 | 175.6 | 170.8 | 179.5 | 0 | 109 | K1131 Q1153 C1165 | K1131-K1151 HydrophobicContact CD-CD 4.44Å; K1131-K1151 HydrophobicContact CD-CG 4.5Å; K1131-K1151 VanDerWaalsContact CE-CE 3.43Å; K1131-K1151 HydrophobicContact CG-CG 4.06Å; K1151-Q1153 VanDerWaalsContact CE-CD 3.41Å; K1151-C1165 PolarHBondContact N-O 2.89Å; K1151-C1165 PolarHBondContact O-N 2.89Å |
| 1152 | L | 47.5 | Very low | 42.3 | Very low | 73 Ų | 73 | 88.3 Ų | 88.3 | 38% | 0.382 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 114.8 | 169.6 | -170.9 | 75.8 | 0 | 0 | 0 | 108.5 | L1132 I1164 | L1132-L1152 PolarHBondContact O-N 2.91Å; L1152-I1164 HydrophobicContact CD1-CG1 3.84Å |
| 1153 | Q | 50.9 | Low | 42.9 | Very low | 75 Ų | 75 | 89.5 Ų | 89.5 | 35% | 0.35 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 122.8 | 171 | -99.7 | 177.9 | -32.3 | 0 | 0 | 109.9 | K1151 E1163 | K1151-Q1153 VanDerWaalsContact CE-CD 3.41Å; Q1153-E1163 PolarHBondContact N-O 3.45Å |
| 1154 | R | 44.8 | Very low | 43.7 | Very low | 109 Ų | 109 | 83.4 Ų | 83.4 | 41% | 0.411 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 105.3 | 167.8 | -92.9 | -176 | 168.4 | 175.4 | 0.7 | 109.4 | G813 | G813-R1154 PolarHBondContact O-NH1 3.32Å |
| 1155 | Q | 46.4 | Very low | 44.3 | Very low | 153 Ų | 153 | 79.3 Ų | 79.3 | 72% | 0.715 | 42% | 0.419 | S | S | * | . | trans | -80.2 | 129 | 163.9 | -80.4 | -173.9 | -19.3 | 0 | 0 | 109.8 | ||||
| 1156 | G | 36.9 | Very low | 44.9 | Very low | 68 Ų | 68 | 77.4 Ų | 77.4 | 70% | 0.701 | 40% | 0.403 | S | S | * | . | trans | -126.8 | 100.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1157 | H | 36.3 | Very low | 45 | Very low | 187 Ų | 187 | 77.7 Ų | 77.7 | 87% | 0.866 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -172.3 | 122.7 | 135.5 | -104.3 | -74.2 | 0 | 0 | 0 | 106.4 | ||
| 1158 | D | 37.3 | Very low | 44.9 | Very low | 149 Ų | 149 | 77.8 Ų | 77.8 | 80% | 0.797 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 70.7 | 50.5 | 169.4 | -63.6 | -8 | 0 | 0 | 0 | 122.2 | ||
| 1159 | G | 39.3 | Very low | 44.7 | Very low | 53 Ų | 53 | 80.9 Ų | 80.9 | 55% | 0.546 | 42% | 0.416 | S | S | . | . | S | Bend | trans | 132.1 | 96.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1161 | G1159-R1161 PolarHBondContact O-N 3.22Å; G1159-R1161 VanDerWaalsContact O-N 3.09Å |
| 1160 | Q | 43.2 | Very low | 44.1 | Very low | 146 Ų | 146 | 85.5 Ų | 85.5 | 68% | 0.682 | 45% | 0.445 | S | S | * | . | trans | -64.1 | 100.8 | -159.8 | -66.6 | -176.9 | -22.2 | 0 | 0 | 115.4 | ||||
| 1161 | R | 43.6 | Very low | 43.4 | Very low | 118 Ų | 118 | 94.2 Ų | 94.2 | 45% | 0.445 | 48% | 0.481 | S | S | . | . | trans | -93.7 | 128.7 | 158.6 | -172.5 | 174.7 | 170.7 | 168.1 | -1.4 | 108.3 | G1159 E1163 N1189 | G1159-R1161 PolarHBondContact O-N 3.22Å; G1159-R1161 VanDerWaalsContact O-N 3.09Å; R1161-E1163 IonicContact CZ-OE1 3.9Å; R1161-E1163 IonicContact NE-OE1 3.23Å; R1161-E1163 PolarHBondContact NE-OE1 3.36Å; R1161-E1163 IonicContact NH2-OE1 2.89Å; R1161-E1163 PolarHBondContact NH2-OE1 2.91Å; R1161-N1189 PolarHBondContact NH2-ND2 3.38Å | ||
| 1162 | Q | 44.8 | Very low | 42.4 | Very low | 62 Ų | 62 | 94.8 Ų | 94.8 | 29% | 0.29 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 120.6 | 174.2 | -69.4 | -177.2 | 4.2 | 0 | 0 | 108.7 | D1187 N1189 | Q1162-D1187 PolarHBondContact N-O 3.38Å; Q1162-N1189 PolarHBondContact O-N 3.25Å |
| 1163 | E | 48.7 | Very low | 41.7 | Very low | 64 Ų | 64 | 101.8 Ų | 101.8 | 30% | 0.299 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.8 | 176.2 | -82 | 178.1 | -179.6 | 0 | 0 | 110.1 | Q1153 R1161 N1189 | Q1153-E1163 PolarHBondContact N-O 3.45Å; R1161-E1163 IonicContact CZ-OE1 3.9Å; R1161-E1163 IonicContact NE-OE1 3.23Å; R1161-E1163 PolarHBondContact NE-OE1 3.36Å; R1161-E1163 IonicContact NH2-OE1 2.89Å; R1161-E1163 PolarHBondContact NH2-OE1 2.91Å; E1163-N1189 HydrophobicContact CG-CB 4.15Å |
| 1164 | I | 51.1 | Low | 40.8 | Very low | 57 Ų | 57 | 106.6 Ų | 106.6 | 29% | 0.292 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 101.8 | 170.2 | -57.6 | 173.3 | 0 | 0 | 0 | 105.8 | L1152 I1166 N1189 I1190 N1191 | L1152-I1164 HydrophobicContact CD1-CG1 3.84Å; I1164-I1166 HydrophobicContact CG2-CG1 4.01Å; I1164-N1189 PolarHBondContact N-O 3.26Å; I1164-N1189 VanDerWaalsContact N-O 3.09Å; I1164-I1190 HydrophobicContact CB-CG1 4.5Å; I1164-I1190 WeakPolarHBondContact O-CA 3.49Å; I1164-N1191 PolarHBondContact O-N 2.93Å; I1164-N1191 VanDerWaalsContact O-N 3.16Å |
| 1165 | C | 48.5 | Very low | 40.1 | Very low | 26 Ų | 26 | 108 Ų | 108 | 18% | 0.176 | 57% | 0.57 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.3 | 113.7 | 171.8 | 161.6 | 0 | 0 | 0 | 0 | 107.5 | K1151 C1196 | K1151-C1165 PolarHBondContact N-O 2.89Å; K1151-C1165 PolarHBondContact O-N 2.89Å; C1165-C1196 HydrophobicContact CB-CB 4.14Å; C1165-C1196 WeakPolarHBondContact CB-SG 3.48Å; C1165-C1196 WeakPolarHBondContact SG-CB 3.47Å; C1165-C1196 CovalentContact SG-SG 2.04Å; C1165-C1196 PolarHBondContact SG-SG 2.98Å |
| 1166 | I | 49.3 | Very low | 39.3 | Very low | 51 Ų | 51 | 107.2 Ų | 107.2 | 26% | 0.262 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.2 | 88.7 | 171.2 | -55.3 | -179.5 | 0 | 0 | 0 | 106.1 | V1148 I1164 M1168 I1190 N1191 W1192 | V1148-I1166 HydrophobicContact CG1-CG2 3.83Å; I1164-I1166 HydrophobicContact CG2-CG1 4.01Å; I1166-M1168 HydrophobicContact CG2-CE 4.21Å; I1166-M1168 HydrophobicContact CG2-CG 4.42Å; I1166-M1168 PolarHBondContact O-N 2.76Å; I1166-I1190 HydrophobicContact CD1-CG2 4.24Å; I1166-N1191 PolarHBondContact N-O 3.25Å; I1166-W1192 WeakPolarHBondContact O-CA 3.15Å |
| 1167 | N | 44.1 | Very low | 39 | Very low | 26 Ų | 26 | 112.1 Ų | 112.1 | 14% | 0.139 | 58% | 0.575 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.5 | 106.8 | 179.8 | -151.8 | -22 | 0 | 0 | 0 | 108.3 | D1149 K1169 G1193 T1194 | D1149-N1167 HydrophobicContact CB-CB 4.2Å; D1149-N1167 PolarHBondContact N-O 3.46Å; D1149-N1167 VanDerWaalsContact N-O 3.08Å; D1149-N1167 PolarHBondContact O-N 3.42Å; N1167-K1169 HydrophobicContact CB-CG 4.45Å; N1167-K1169 PolarHBondContact O-N 3.25Å; N1167-G1193 PolarHBondContact OD1-O 3.15Å; N1167-G1193 VanDerWaalsContact OD1-O 3.1Å; N1167-T1194 PolarHBondContact OD1-O 3.36Å |
| 1168 | M | 38.2 | Very low | 38.6 | Very low | 76 Ų | 76 | 114.5 Ų | 114.5 | 37% | 0.374 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.9 | 85.1 | 170.5 | -65.3 | -177.8 | -176.9 | 0 | 0 | 106.7 | T1146 I1166 T1170 | T1146-M1168 HydrophobicContact CG2-CB 4.04Å; T1146-M1168 HydrophobicContact CG2-CE 4.39Å; T1146-M1168 HydrophobicContact CG2-CG 3.71Å; T1146-M1168 HydrophobicContact CG2-SD 3.67Å; I1166-M1168 HydrophobicContact CG2-CE 4.21Å; I1166-M1168 HydrophobicContact CG2-CG 4.42Å; I1166-M1168 PolarHBondContact O-N 2.76Å; M1168-T1170 PolarHBondContact O-N 3.28Å |
| 1169 | K | 39 | Very low | 38.2 | Very low | 104 Ų | 104 | 111.5 Ų | 111.5 | 45% | 0.452 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.6 | 113.3 | -179.8 | -72.1 | -177.4 | -174.3 | 150 | 0 | 110.2 | D1149 N1167 | D1149-K1169 WeakPolarHBondContact OD2-CD 3.28Å; D1149-K1169 WeakPolarHBondContact OD2-CE 3.49Å; D1149-K1169 IonicContact OD2-NZ 3.34Å; D1149-K1169 PolarHBondContact OD2-NZ 3.33Å; N1167-K1169 HydrophobicContact CB-CG 4.45Å; N1167-K1169 PolarHBondContact O-N 3.25Å |
| 1170 | T | 36.7 | Very low | 37.7 | Very low | 106 Ų | 106 | 116.7 Ų | 116.7 | 65% | 0.65 | 58% | 0.578 | S | S | * | * | trans | -82.3 | 142.3 | 148.9 | 46.6 | 0 | 0 | 0 | 0 | 107.7 | M1168 G1172 | M1168-T1170 PolarHBondContact O-N 3.28Å; T1170-G1172 PolarHBondContact O-N 2.87Å | ||
| 1171 | Q | 32.5 | Very low | 37.1 | Very low | 212 Ų | 212 | 119 Ų | 119 | 99% | 0.991 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -52.6 | 120 | -173.6 | -73.9 | 179.2 | -26.1 | 0 | 0 | 113.2 | ||
| 1172 | G | 31.9 | Very low | 36.3 | Very low | 75 Ų | 75 | 119.8 Ų | 119.8 | 77% | 0.773 | 61% | 0.606 | S | S | * | * | trans | 167.9 | 148.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T1170 | T1170-G1172 PolarHBondContact O-N 2.87Š| ||
| 1173 | K | 32.2 | Very low | 35.5 | Very low | 220 Ų | 220 | 128.1 Ų | 128.1 | 96% | 0.957 | 64% | 0.635 | S | S | * | * | trans | -81.7 | 170 | -156.1 | -70 | 179.5 | 173.4 | -179.7 | 0 | 119.3 | ||||
| 1174 | E | 31.7 | Very low | 34.6 | Very low | 177 Ų | 177 | 136.3 Ų | 136.3 | 83% | 0.827 | 66% | 0.663 | S | S | * | * | trans | -66.4 | 173.3 | -165.5 | -71.6 | 171.8 | 137.5 | 0 | 0 | 122.4 | ||||
| 1175 | N | 29.8 | Very low | 34 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | trans | 93.8 | 138.4 | 162.7 | -62.6 | -7.1 | 0 | 0 | 0 | 116.7 | ||||
| 1176 | D | 31 | Very low | 33.6 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | cis | -166.4 | 176.2 | 8.2 | -130.3 | -30.3 | 0 | 0 | 0 | 112.3 | ||||
| 1177 | Q | 29.1 | Very low | 33.5 | Very low | 171 Ų | 171 | 135.6 Ų | 135.6 | 80% | 0.799 | 67% | 0.666 | S | S | * | * | trans | -72.8 | 150.8 | -169.3 | -56.9 | 166.9 | -9.4 | 0 | 0 | 118.9 | ||||
| 1178 | R | 29.8 | Very low | 33.8 | Very low | 238 Ų | 238 | 137.4 Ų | 137.4 | 90% | 0.898 | 68% | 0.676 | S | S | * | * | 174.7 | 125.4 | 122.2 | -112.2 | -178.3 | 164.9 | 162.6 | -3.8 | 118.8 | |||||
| 1179 | S | 28.8 | Very low | 34.4 | Very low | 86 Ų | 86 | 134.2 Ų | 134.2 | 60% | 0.601 | 66% | 0.66 | S | S | * | * | trans | 29.2 | 118.8 | 134.9 | 66.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1180 | E | 28.8 | Very low | 35 | Very low | 162 Ų | 162 | 131.7 Ų | 131.7 | 76% | 0.757 | 65% | 0.651 | S | S | * | * | 90.4 | 117 | 78.6 | -81.5 | -176.4 | 170.1 | 0 | 0 | 116.3 | |||||
| 1181 | Q | 29.3 | Very low | 36.1 | Very low | 194 Ų | 194 | 127.4 Ų | 127.4 | 91% | 0.907 | 62% | 0.624 | S | S | * | * | trans | -164.6 | 132.5 | 133.7 | -110.4 | 178.4 | 1.7 | 0 | 0 | 112 | ||||
| 1182 | T | 26.2 | Very low | 36.9 | Very low | 134 Ų | 134 | 120 Ų | 120 | 82% | 0.822 | 59% | 0.587 | S | S | * | * | trans | -83.2 | 135.4 | -164.6 | 38 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1183 | R | 28.1 | Very low | 37.8 | Very low | 237 Ų | 237 | 117.1 Ų | 117.1 | 89% | 0.894 | 56% | 0.557 | S | S | * | * | trans | -145 | 140.1 | 151.8 | -81.5 | -170.3 | 175.6 | 167.2 | -0.7 | 110.9 | S1185 | R1183-S1185 PolarHBondContact O-N 3.46Å; R1183-S1185 VanDerWaalsContact O-N 3.08Å | ||
| 1184 | R | 31.2 | Very low | 38.6 | Very low | 237 Ų | 237 | 110.9 Ų | 110.9 | 89% | 0.894 | 54% | 0.538 | S | S | * | . | trans | -61.7 | 97.9 | -176.5 | -68.2 | 173 | 173.8 | 168.8 | -2.7 | 112.6 | ||||
| 1185 | S | 37.4 | Very low | 39.7 | Very low | 25 Ų | 25 | 109.3 Ų | 109.3 | 18% | 0.175 | 53% | 0.531 | C | S | . | . | S | Bend | trans | -153.8 | 150.2 | 159.2 | 51.7 | 0 | 0 | 0 | 0 | 110.2 | R1183 D1187 R1205 | R1183-S1185 PolarHBondContact O-N 3.46Å; R1183-S1185 VanDerWaalsContact O-N 3.08Å; S1185-D1187 VanDerWaalsContact C-N 3.28Å; S1185-D1187 WeakPolarHBondContact CB-OD1 3.31Å; S1185-D1187 PolarHBondContact O-N 3.35Å; S1185-D1187 PolarHBondContact OG-OD1 2.96Å; S1185-R1205 PolarHBondContact OG-NE 2.97Å; S1185-R1205 PolarHBondContact OG-NH2 3.29Å |
| 1186 | S | 41.3 | Very low | 41 | Very low | 74 Ų | 74 | 103.9 Ų | 103.9 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 80.6 | 177.5 | -46.9 | 0 | 0 | 0 | 0 | 109.4 | I1206 | S1186-I1206 PolarHBondContact O-N 2.96Å |
| 1187 | D | 47.6 | Very low | 42.3 | Very low | 19 Ų | 19 | 99.1 Ų | 99.1 | 10% | 0.102 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 122.6 | 178.8 | -71.3 | 19.4 | 0 | 0 | 0 | 109.1 | Q1162 S1185 K1203 R1205 | Q1162-D1187 PolarHBondContact N-O 3.38Å; S1185-D1187 VanDerWaalsContact C-N 3.28Å; S1185-D1187 WeakPolarHBondContact CB-OD1 3.31Å; S1185-D1187 PolarHBondContact O-N 3.35Å; S1185-D1187 PolarHBondContact OG-OD1 2.96Å; D1187-K1203 WeakPolarHBondContact OD2-CE 3.15Å; D1187-K1203 IonicContact OD2-NZ 3.33Å; D1187-K1203 PolarHBondContact OD2-NZ 2.97Å; D1187-R1205 WeakPolarHBondContact OD1-CG 3.3Å; D1187-R1205 IonicContact OD1-NE 3.83Å; D1187-R1205 PolarHBondContact OD1-NE 3.42Å |
| 1188 | I | 49.6 | Very low | 43.8 | Very low | 65 Ų | 65 | 96.4 Ų | 96.4 | 33% | 0.333 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 108.2 | 167.2 | -58.7 | 172.4 | 0 | 0 | 0 | 106.5 | I1190 A1204 | I1188-I1190 HydrophobicContact CG2-CG1 4.24Å; I1188-A1204 HydrophobicContact CB-CB 4.33Å; I1188-A1204 PolarHBondContact N-O 3.22Å; I1188-A1204 PolarHBondContact O-N 3.48Å |
| 1189 | N | 50.6 | Low | 45.3 | Very low | 9 Ų | 9 | 89.9 Ų | 89.9 | 5% | 0.048 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 120.2 | 173.4 | -67.1 | -22.3 | 0 | 0 | 0 | 108.7 | R1161 Q1162 E1163 I1164 K1203 | R1161-N1189 PolarHBondContact NH2-ND2 3.38Å; Q1162-N1189 PolarHBondContact O-N 3.25Å; E1163-N1189 HydrophobicContact CG-CB 4.15Å; I1164-N1189 PolarHBondContact N-O 3.26Å; I1164-N1189 VanDerWaalsContact N-O 3.09Å; N1189-K1203 WeakPolarHBondContact OD1-CB 3.27Å; N1189-K1203 WeakPolarHBondContact OD1-CD 2.92Å; N1189-K1203 WeakPolarHBondContact OD1-CG 3.49Å |
| 1190 | I | 51.9 | Low | 47.1 | Very low | 50 Ų | 50 | 87.4 Ų | 87.4 | 26% | 0.256 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 107 | 169.9 | -54.3 | 174 | 0 | 0 | 0 | 106.5 | I1164 I1166 I1188 Y1201 I1202 | I1164-I1190 HydrophobicContact CB-CG1 4.5Å; I1164-I1190 WeakPolarHBondContact O-CA 3.49Å; I1166-I1190 HydrophobicContact CD1-CG2 4.24Å; I1188-I1190 HydrophobicContact CG2-CG1 4.24Å; I1190-Y1201 CarbonylContact O-C 3.52Å; I1190-Y1201 VanDerWaalsContact O-CA 3.32Å; I1190-Y1201 WeakPolarHBondContact O-CA 3.39Å; I1190-I1202 HydrophobicContact CB-CB 4.3Å; I1190-I1202 PolarHBondContact N-O 2.9Å; I1190-I1202 PolarHBondContact O-N 3.39Å |
| 1191 | N | 59.5 | Low | 48.8 | Very low | 16 Ų | 16 | 81.1 Ų | 81.1 | 9% | 0.086 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 141 | 176.6 | -61.9 | -11.6 | 0 | 0 | 0 | 108.6 | I1164 I1166 C1196 N1200 Y1201 | I1164-N1191 PolarHBondContact O-N 2.93Å; I1164-N1191 VanDerWaalsContact O-N 3.16Å; I1166-N1191 PolarHBondContact N-O 3.25Å; N1191-C1196 HydrophobicContact CB-CB 4.49Å; N1191-N1200 WeakPolarHBondContact CA-O 3.43Å; N1191-Y1201 WeakPolarHBondContact OD1-CB 3.29Å |
| 1192 | W | 49.1 | Very low | 50.5 | Low | 57 Ų | 57 | 74.2 Ų | 74.2 | 22% | 0.216 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 173.9 | 174.1 | 71.6 | 91.9 | 0 | 0 | 0 | 111.6 | I1166 N1200 I1202 H1254 | I1166-W1192 WeakPolarHBondContact O-CA 3.15Å; W1192-N1200 HydrophobicContact CD2-CB 4.16Å; W1192-N1200 HydrophobicContact CG-CB 4.35Å; W1192-N1200 HydrophobicContact CZ2-CB 4.17Å; W1192-N1200 PolarHBondContact N-O 3.06Å; W1192-N1200 WeakPolarHBondContact O-CB 3.28Å; W1192-I1202 HydrophobicContact CH2-CD1 4.17Å; W1192-I1202 HydrophobicContact CH2-CG1 3.92Å; W1192-I1202 HydrophobicContact CZ3-CB 4.16Å; W1192-I1202 HydrophobicContact CZ3-CD1 3.7Å; W1192-I1202 HydrophobicContact CZ3-CG1 3.58Å; W1192-H1254 AromaticContact CH2-CE1 3.22Å; W1192-H1254 WeakPolarHBondContact CH2-CE1 3.37Å; W1192-H1254 AromaticContact CH2-ND1 3.59Å; W1192-H1254 AromaticContact CH2-NE2 3.67Å; W1192-H1254 AromaticContact CZ2-CE1 3.44Å; W1192-H1254 VanDerWaalsContact CZ2-CE1 3.44Å; W1192-H1254 WeakPolarHBondContact CZ2-CE1 3.02Å |
| 1193 | G | 50.6 | Low | 52.4 | Low | 14 Ų | 14 | 70.9 Ų | 70.9 | 14% | 0.144 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 96.5 | 168.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N1167 Q1195 C1196 | N1167-G1193 PolarHBondContact OD1-O 3.15Å; N1167-G1193 VanDerWaalsContact OD1-O 3.1Å; G1193-Q1195 PolarHBondContact O-N 2.92Å; G1193-Q1195 VanDerWaalsContact O-N 3.13Å; G1193-C1196 PolarHBondContact O-N 2.81Å; G1193-C1196 VanDerWaalsContact O-N 3.09Å |
| 1194 | T | 48.6 | Very low | 53.9 | Low | 90 Ų | 90 | 60.5 Ų | 60.5 | 55% | 0.552 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -27.4 | -165 | 50.5 | 0 | 0 | 0 | 0 | 114.6 | N1167 | N1167-T1194 PolarHBondContact OD1-O 3.36Š|
| 1195 | Q | 56.1 | Low | 55.4 | Low | 144 Ų | 144 | 52.7 Ų | 52.7 | 67% | 0.673 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -0.8 | 179.6 | -67 | -170.3 | -19 | 0 | 0 | 114 | G1193 N1197 | G1193-Q1195 PolarHBondContact O-N 2.92Å; G1193-Q1195 VanDerWaalsContact O-N 3.13Å; Q1195-N1197 HydrophobicContact CB-CB 3.93Å; Q1195-N1197 PolarHBondContact O-N 3.43Å |
| 1196 | C | 56.5 | Low | 56.3 | Low | 23 Ų | 23 | 54.7 Ų | 54.7 | 16% | 0.155 | 28% | 0.284 | C | S | . | . | trans | 41.5 | 38.4 | -166.3 | -92.6 | 0 | 0 | 0 | 0 | 112.4 | C1165 N1191 G1193 | C1165-C1196 HydrophobicContact CB-CB 4.14Å; C1165-C1196 WeakPolarHBondContact CB-SG 3.48Å; C1165-C1196 WeakPolarHBondContact SG-CB 3.47Å; C1165-C1196 CovalentContact SG-SG 2.04Å; C1165-C1196 PolarHBondContact SG-SG 2.98Å; N1191-C1196 HydrophobicContact CB-CB 4.49Å; G1193-C1196 PolarHBondContact O-N 2.81Å; G1193-C1196 VanDerWaalsContact O-N 3.09Å | ||
| 1197 | N | 58.4 | Low | 57.1 | Low | 37 Ų | 37 | 53.7 Ų | 53.7 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | trans | -82.6 | 163.4 | -174.8 | 61.5 | -0.2 | 0 | 0 | 0 | 110.9 | Q1195 E1199 N1200 | Q1195-N1197 HydrophobicContact CB-CB 3.93Å; Q1195-N1197 PolarHBondContact O-N 3.43Å; N1197-E1199 PolarHBondContact ND2-OE2 3.03Å; N1197-E1199 PolarHBondContact O-N 3.4Å; N1197-N1200 PolarHBondContact O-N 2.82Å | ||
| 1198 | D | 61.2 | Low | 57.2 | Low | 113 Ų | 113 | 58.3 Ų | 58.3 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | 15.1 | 178.2 | -67.5 | -27 | 0 | 0 | 0 | 113.5 | Y1201 R1255 | D1198-Y1201 WeakPolarHBondContact O-CD1 3.1Å; D1198-Y1201 WeakPolarHBondContact O-CE1 3.02Å; D1198-R1255 PolarHBondContact O-NH1 3.35Å |
| 1199 | E | 61.5 | Low | 57.3 | Low | 102 Ų | 102 | 55.8 Ų | 55.8 | 48% | 0.477 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -29.2 | 176.5 | -59.3 | -167.6 | 147.2 | 0 | 0 | 112.7 | N1197 R1255 N1256 | N1197-E1199 PolarHBondContact ND2-OE2 3.03Å; N1197-E1199 PolarHBondContact O-N 3.4Å; E1199-R1255 WeakPolarHBondContact O-CD 3.39Å; E1199-R1255 VanDerWaalsContact O-CG 3.28Å; E1199-R1255 WeakPolarHBondContact O-CG 3.45Å; E1199-N1256 PolarHBondContact O-ND2 2.73Å |
| 1200 | N | 65.1 | Low | 57.3 | Low | 34 Ų | 34 | 57.5 Ų | 57.5 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -127 | 89.3 | -177.3 | -68.2 | -50.5 | 0 | 0 | 0 | 109.9 | N1191 W1192 N1197 N1256 | N1191-N1200 WeakPolarHBondContact CA-O 3.43Å; W1192-N1200 HydrophobicContact CD2-CB 4.16Å; W1192-N1200 HydrophobicContact CG-CB 4.35Å; W1192-N1200 HydrophobicContact CZ2-CB 4.17Å; W1192-N1200 PolarHBondContact N-O 3.06Å; W1192-N1200 WeakPolarHBondContact O-CB 3.28Å; N1197-N1200 PolarHBondContact O-N 2.82Å; N1200-N1256 VanDerWaalsContact OD1-CB 3.23Å; N1200-N1256 WeakPolarHBondContact OD1-CB 3.15Å; N1200-N1256 PolarHBondContact OD1-ND2 2.8Å |
| 1201 | Y | 65.3 | Low | 56.9 | Low | 29 Ų | 29 | 64 Ų | 64 | 11% | 0.114 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 152.2 | -175.6 | 65.8 | -93.7 | 0 | 0 | 0 | 112.9 | I1190 N1191 D1198 K1203 Q1253 H1254 R1255 | I1190-Y1201 CarbonylContact O-C 3.52Å; I1190-Y1201 VanDerWaalsContact O-CA 3.32Å; I1190-Y1201 WeakPolarHBondContact O-CA 3.39Å; N1191-Y1201 WeakPolarHBondContact OD1-CB 3.29Å; D1198-Y1201 WeakPolarHBondContact O-CD1 3.1Å; D1198-Y1201 WeakPolarHBondContact O-CE1 3.02Å; Y1201-K1203 HydrophobicContact CD2-CB 3.67Å; Y1201-K1203 HydrophobicContact CE2-CB 3.91Å; Y1201-Q1253 HydrophobicContact CE2-CB 4.23Å; Y1201-Q1253 HydrophobicContact CE2-CG 3.75Å; Y1201-Q1253 VanDerWaalsContact OH-CD 3.32Å; Y1201-Q1253 PolarHBondContact OH-NE2 3.25Å; Y1201-H1254 WeakPolarHBondContact O-CA 3.44Å; Y1201-R1255 HydrophobicContact CD1-CB 3.88Å; Y1201-R1255 HydrophobicContact CE1-CB 3.57Å; Y1201-R1255 HydrophobicContact CE1-CG 4.07Å; Y1201-R1255 HydrophobicContact CE2-CB 4.37Å; Y1201-R1255 HydrophobicContact CG-CB 4.42Å; Y1201-R1255 PolarHBondContact O-N 3.49Å |
| 1202 | I | 65.1 | Low | 56.4 | Low | 49 Ų | 49 | 73 Ų | 73 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 106 | 160.5 | -71.7 | 153.5 | 0 | 0 | 0 | 105.1 | I1190 W1192 I1252 Q1253 H1254 | I1190-I1202 HydrophobicContact CB-CB 4.3Å; I1190-I1202 PolarHBondContact N-O 2.9Å; I1190-I1202 PolarHBondContact O-N 3.39Å; W1192-I1202 HydrophobicContact CH2-CD1 4.17Å; W1192-I1202 HydrophobicContact CH2-CG1 3.92Å; W1192-I1202 HydrophobicContact CZ3-CB 4.16Å; W1192-I1202 HydrophobicContact CZ3-CD1 3.7Å; W1192-I1202 HydrophobicContact CZ3-CG1 3.58Å; I1202-I1252 HydrophobicContact CG2-CG2 3.95Å; I1202-Q1253 CarbonylContact C-O 3.59Å; I1202-Q1253 WeakPolarHBondContact CA-O 2.99Å; I1202-H1254 HydrophobicContact CG1-CB 4.14Å; I1202-H1254 VanDerWaalsContact CG1-CD2 3.43Å; I1202-H1254 WeakPolarHBondContact CG1-CD2 3.43Å |
| 1203 | K | 66.1 | Low | 56.5 | Low | 65 Ų | 65 | 75 Ų | 75 | 28% | 0.283 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 109.8 | 175.2 | 171.2 | 159 | -167.3 | 178.8 | 0 | 107.9 | D1187 N1189 Y1201 I1252 Q1253 | D1187-K1203 WeakPolarHBondContact OD2-CE 3.15Å; D1187-K1203 IonicContact OD2-NZ 3.33Å; D1187-K1203 PolarHBondContact OD2-NZ 2.97Å; N1189-K1203 WeakPolarHBondContact OD1-CB 3.27Å; N1189-K1203 WeakPolarHBondContact OD1-CD 2.92Å; N1189-K1203 WeakPolarHBondContact OD1-CG 3.49Å; Y1201-K1203 HydrophobicContact CD2-CB 3.67Å; Y1201-K1203 HydrophobicContact CE2-CB 3.91Å; K1203-I1252 CarbonylContact O-C 3.59Å; K1203-I1252 VanDerWaalsContact O-CA 3.29Å; K1203-I1252 WeakPolarHBondContact O-CA 3.42Å; K1203-Q1253 HydrophobicContact CB-CB 4.33Å; K1203-Q1253 PolarHBondContact N-O 3.1Å; K1203-Q1253 PolarHBondContact O-N 3.07Å |
| 1204 | A | 59.4 | Low | 56.4 | Low | 18 Ų | 18 | 76 Ų | 76 | 15% | 0.149 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | I1188 Q1251 I1252 | I1188-A1204 HydrophobicContact CB-CB 4.33Å; I1188-A1204 PolarHBondContact N-O 3.22Å; I1188-A1204 PolarHBondContact O-N 3.48Å; A1204-Q1251 CarbonylContact C-O 3.56Å; A1204-Q1251 VanDerWaalsContact CA-O 3.27Å; A1204-Q1251 WeakPolarHBondContact CA-O 3.45Å; A1204-I1252 HydrophobicContact CB-CG1 4.34Å |
| 1205 | R | 61.5 | Low | 56.5 | Low | 73 Ų | 73 | 75 Ų | 75 | 28% | 0.275 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 121 | -179.1 | -178.8 | 171.8 | -152.5 | -140.7 | -11.9 | 108.5 | S1185 D1187 E1207 I1250 Q1251 | S1185-R1205 PolarHBondContact OG-NE 2.97Å; S1185-R1205 PolarHBondContact OG-NH2 3.29Å; D1187-R1205 WeakPolarHBondContact OD1-CG 3.3Å; D1187-R1205 IonicContact OD1-NE 3.83Å; D1187-R1205 PolarHBondContact OD1-NE 3.42Å; R1205-E1207 HydrophobicContact CG-CG 4.02Å; R1205-E1207 IonicContact CZ-OE1 3.94Å; R1205-E1207 IonicContact NE-OE1 2.73Å; R1205-E1207 PolarHBondContact NE-OE1 2.95Å; R1205-E1207 IonicContact NH1-OE1 3.21Å; R1205-E1207 PolarHBondContact NH1-OE1 3.35Å; R1205-E1207 IonicContact NH2-OE1 3.96Å; R1205-E1207 PolarHBondContact NH2-OE1 3.06Å; R1205-E1207 VanDerWaalsContact NH2-OE1 3.09Å; R1205-I1250 CarbonylContact O-C 3.49Å; R1205-I1250 WeakPolarHBondContact O-CA 3.32Å; R1205-Q1251 HydrophobicContact CB-CB 4.29Å; R1205-Q1251 PolarHBondContact N-O 2.96Å; R1205-Q1251 PolarHBondContact O-N 3.37Å |
| 1206 | I | 57.5 | Low | 56.2 | Low | 68 Ų | 68 | 75.9 Ų | 75.9 | 35% | 0.349 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 113.4 | 177.5 | -56.3 | 175.9 | 0 | 0 | 0 | 107.7 | S1186 Y1248 I1250 | S1186-I1206 PolarHBondContact O-N 2.96Å; I1206-Y1248 HydrophobicContact CG2-CD1 3.79Å; I1206-Y1248 HydrophobicContact CG2-CG 4.44Å; I1206-I1250 HydrophobicContact CG1-CG1 4.49Å |
| 1207 | E | 57.1 | Low | 55.9 | Low | 53 Ų | 53 | 79.8 Ų | 79.8 | 25% | 0.248 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 146.9 | 176.1 | -58.7 | -176 | 150 | 0 | 0 | 110 | R1205 Y1248 K1249 | R1205-E1207 HydrophobicContact CG-CG 4.02Å; R1205-E1207 IonicContact CZ-OE1 3.94Å; R1205-E1207 IonicContact NE-OE1 2.73Å; R1205-E1207 PolarHBondContact NE-OE1 2.95Å; R1205-E1207 IonicContact NH1-OE1 3.21Å; R1205-E1207 PolarHBondContact NH1-OE1 3.35Å; R1205-E1207 IonicContact NH2-OE1 3.96Å; R1205-E1207 PolarHBondContact NH2-OE1 3.06Å; R1205-E1207 VanDerWaalsContact NH2-OE1 3.09Å; E1207-Y1248 CarbonylContact O-C 3.51Å; E1207-Y1248 WeakPolarHBondContact O-CA 3.23Å; E1207-K1249 HydrophobicContact CB-CB 4.36Å; E1207-K1249 PolarHBondContact N-O 2.98Å; E1207-K1249 PolarHBondContact O-N 2.92Å |
| 1208 | T | 49.9 | Very low | 55.4 | Low | 115 Ų | 115 | 81.6 Ų | 81.6 | 71% | 0.706 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 117.8 | 168.5 | 51.1 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1209 | A | 52.2 | Low | 54.8 | Low | 13 Ų | 13 | 85.1 Ų | 85.1 | 11% | 0.107 | 39% | 0.39 | C | S | . | . | trans | -100.2 | 112.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1214 A1246 G1247 K1249 | A1209-V1214 HydrophobicContact CB-CG2 4.18Å; A1209-A1246 CarbonylContact O-C 3.59Å; A1209-A1246 WeakPolarHBondContact O-CA 3.44Å; A1209-A1246 WeakPolarHBondContact O-CB 3.31Å; A1209-G1247 WeakPolarHBondContact CA-O 3.46Å; A1209-G1247 VanDerWaalsContact CB-O 3.24Å; A1209-G1247 WeakPolarHBondContact CB-O 3.39Å; A1209-G1247 PolarHBondContact N-O 2.98Å; A1209-G1247 PolarHBondContact O-N 2.9Å; A1209-K1249 HydrophobicContact CB-CB 4.08Å | ||
| 1210 | S | 50.3 | Low | 54.3 | Low | 45 Ų | 45 | 86.6 Ų | 86.6 | 32% | 0.315 | 40% | 0.397 | S | S | . | . | trans | -64.9 | 138.5 | 176.9 | 84 | 0 | 0 | 0 | 0 | 111.8 | R1212 N1213 V1214 | S1210-R1212 PolarHBondContact O-N 3.42Å; S1210-N1213 PolarHBondContact O-N 3.38Å; S1210-N1213 VanDerWaalsContact OG-CG 3.31Å; S1210-N1213 PolarHBondContact OG-N 3.09Å; S1210-N1213 PolarHBondContact OG-OD1 3.37Å; S1210-V1214 PolarHBondContact O-N 2.78Å; S1210-V1214 VanDerWaalsContact O-N 3.16Å | ||
| 1211 | R | 44.4 | Very low | 53.4 | Low | 187 Ų | 187 | 89.4 Ų | 89.4 | 71% | 0.706 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -54.1 | -26.2 | 176 | -166.2 | 174.5 | 175.9 | 179.7 | -1.1 | 112.4 | I1215 | R1211-I1215 HydrophobicContact CG-CD1 4.05Å; R1211-I1215 WeakPolarHBondContact O-CB 3.2Å; R1211-I1215 WeakPolarHBondContact O-CD1 3.35Å; R1211-I1215 WeakPolarHBondContact O-CG1 3.5Å; R1211-I1215 PolarHBondContact O-N 3.28Å; R1211-I1215 VanDerWaalsContact O-N 3.13Å |
| 1212 | R | 49.4 | Very low | 52.2 | Low | 205 Ų | 205 | 94.1 Ų | 94.1 | 77% | 0.774 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66.9 | -43.6 | 171.3 | -100.7 | -176 | -178 | 144.7 | 3 | 113.1 | S1210 W1216 | S1210-R1212 PolarHBondContact O-N 3.42Å; R1212-W1216 WeakPolarHBondContact O-CB 3.45Å; R1212-W1216 PolarHBondContact O-N 3.44Å |
| 1213 | N | 51.1 | Low | 51 | Low | 99 Ų | 99 | 95.6 Ų | 95.6 | 53% | 0.529 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -70.5 | -36.4 | -179.8 | -68 | -3.5 | 0 | 0 | 0 | 111.2 | S1210 W1216 E1217 | S1210-N1213 PolarHBondContact O-N 3.38Å; S1210-N1213 VanDerWaalsContact OG-CG 3.31Å; S1210-N1213 PolarHBondContact OG-N 3.09Å; S1210-N1213 PolarHBondContact OG-OD1 3.37Å; N1213-W1216 PolarHBondContact O-N 2.94Å; N1213-E1217 PolarHBondContact O-N 3.3Å |
| 1214 | V | 48.3 | Very low | 49.7 | Very low | 34 Ų | 34 | 100 Ų | 100 | 21% | 0.206 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -65.1 | -44.5 | 175.8 | 178.8 | 0 | 0 | 0 | 0 | 111.4 | A1209 S1210 Q1218 I1312 | A1209-V1214 HydrophobicContact CB-CG2 4.18Å; S1210-V1214 PolarHBondContact O-N 2.78Å; S1210-V1214 VanDerWaalsContact O-N 3.16Å; V1214-Q1218 WeakPolarHBondContact O-CB 3.41Å; V1214-Q1218 PolarHBondContact O-N 3.46Å; V1214-I1312 HydrophobicContact CG2-CG2 4.13Å |
| 1215 | I | 49.9 | Very low | 48.6 | Very low | 68 Ų | 68 | 108.2 Ų | 108.2 | 35% | 0.349 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.3 | -33.7 | 176.1 | -67.6 | 167.6 | 0 | 0 | 0 | 111.6 | R1211 R1219 | R1211-I1215 HydrophobicContact CG-CD1 4.05Å; R1211-I1215 WeakPolarHBondContact O-CB 3.2Å; R1211-I1215 WeakPolarHBondContact O-CD1 3.35Å; R1211-I1215 WeakPolarHBondContact O-CG1 3.5Å; R1211-I1215 PolarHBondContact O-N 3.28Å; R1211-I1215 VanDerWaalsContact O-N 3.13Å; I1215-R1219 HydrophobicContact CG2-CG 4.47Å; I1215-R1219 WeakPolarHBondContact O-CB 3.33Å; I1215-R1219 VanDerWaalsContact O-CG 3.27Å; I1215-R1219 WeakPolarHBondContact O-CG 3.42Å; I1215-R1219 PolarHBondContact O-N 2.82Å |
| 1216 | W | 49.5 | Very low | 47.1 | Very low | 164 Ų | 164 | 113.6 Ų | 113.6 | 62% | 0.621 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.4 | -43 | 177.5 | -129.3 | 91.8 | 0 | 0 | 0 | 112.3 | R1212 N1213 R1219 Q1220 | R1212-W1216 WeakPolarHBondContact O-CB 3.45Å; R1212-W1216 PolarHBondContact O-N 3.44Å; N1213-W1216 PolarHBondContact O-N 2.94Å; W1216-R1219 PolarHBondContact O-N 3.39Å; W1216-Q1220 HydrophobicContact CE3-CG 4.19Å; W1216-Q1220 HydrophobicContact CZ3-CG 4.06Å; W1216-Q1220 PolarHBondContact O-N 3.31Å; W1216-Q1220 VanDerWaalsContact O-N 3.16Å |
| 1217 | E | 50 | Low | 45.8 | Very low | 104 Ų | 104 | 117.2 Ų | 117.2 | 49% | 0.486 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.6 | -36.9 | 174.8 | -75.6 | -179.9 | 169.3 | 0 | 0 | 111.6 | N1213 Q1220 S1221 | N1213-E1217 PolarHBondContact O-N 3.3Å; E1217-Q1220 PolarHBondContact O-N 3.41Å; E1217-S1221 PolarHBondContact O-N 2.99Å |
| 1218 | Q | 49.2 | Very low | 44.6 | Very low | 76 Ų | 76 | 122 Ų | 122 | 36% | 0.355 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.8 | -37.5 | 173.1 | -83.6 | 173.5 | -31.5 | 0 | 0 | 113.2 | V1214 Q1220 S1221 N1222 | V1214-Q1218 WeakPolarHBondContact O-CB 3.41Å; V1214-Q1218 PolarHBondContact O-N 3.46Å; Q1218-Q1220 VanDerWaalsContact C-N 3.34Å; Q1218-Q1220 PolarHBondContact O-N 3.14Å; Q1218-S1221 PolarHBondContact O-N 2.86Å; Q1218-N1222 WeakPolarHBondContact O-CB 3.48Å; Q1218-N1222 PolarHBondContact O-N 3.39Å; Q1218-N1222 VanDerWaalsContact O-N 3.1Å |
| 1219 | R | 47.6 | Very low | 43.9 | Very low | 186 Ų | 186 | 125.3 Ų | 125.3 | 70% | 0.702 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.6 | -31.2 | 175.8 | -79 | 176.6 | 179.1 | -171 | -2.1 | 113.2 | I1215 W1216 | I1215-R1219 HydrophobicContact CG2-CG 4.47Å; I1215-R1219 WeakPolarHBondContact O-CB 3.33Å; I1215-R1219 VanDerWaalsContact O-CG 3.27Å; I1215-R1219 WeakPolarHBondContact O-CG 3.42Å; I1215-R1219 PolarHBondContact O-N 2.82Å; W1216-R1219 PolarHBondContact O-N 3.39Å |
| 1220 | Q | 51.9 | Low | 43 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.2 | -28.6 | 172.6 | -79.9 | -166 | -34.8 | 0 | 0 | 112.8 | W1216 E1217 Q1218 | W1216-Q1220 HydrophobicContact CE3-CG 4.19Å; W1216-Q1220 HydrophobicContact CZ3-CG 4.06Å; W1216-Q1220 PolarHBondContact O-N 3.31Å; W1216-Q1220 VanDerWaalsContact O-N 3.16Å; E1217-Q1220 PolarHBondContact O-N 3.41Å; Q1218-Q1220 VanDerWaalsContact C-N 3.34Å; Q1218-Q1220 PolarHBondContact O-N 3.14Å |
| 1221 | S | 46.2 | Very low | 42.2 | Very low | 92 Ų | 92 | 142.9 Ų | 142.9 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -80.5 | -23.5 | 178.6 | -162.1 | 0 | 0 | 0 | 0 | 113.8 | E1217 Q1218 | E1217-S1221 PolarHBondContact O-N 2.99Å; Q1218-S1221 PolarHBondContact O-N 2.86Å |
| 1222 | N | 40.6 | Very low | 41.8 | Very low | 128 Ų | 128 | 141.3 Ų | 141.3 | 68% | 0.684 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -97.5 | 3.4 | -175.8 | -69.7 | -0.2 | 0 | 0 | 0 | 114.1 | Q1218 I1224 | Q1218-N1222 WeakPolarHBondContact O-CB 3.48Å; Q1218-N1222 PolarHBondContact O-N 3.39Å; Q1218-N1222 VanDerWaalsContact O-N 3.1Å; N1222-I1224 PolarHBondContact O-N 3.4Å; N1222-I1224 VanDerWaalsContact O-N 3.09Å |
| 1223 | A | 38 | Very low | 41.2 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 26.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 1224 | I | 38.8 | Very low | 40.1 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 81% | 0.805 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | -4.3 | -173.1 | -66.4 | -179 | 0 | 0 | 0 | 115.1 | N1222 | N1222-I1224 PolarHBondContact O-N 3.4Å; N1222-I1224 VanDerWaalsContact O-N 3.09Å |
| 1225 | Q | 37.1 | Very low | 39.2 | Very low | 191 Ų | 191 | 152.2 Ų | 152.2 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | trans | -141.5 | 94.2 | 173.3 | -88 | 178.2 | -41.8 | 0 | 0 | 111.9 | ||||
| 1226 | E | 29.4 | Very low | 38.2 | Very low | 185 Ų | 185 | 156.7 Ų | 156.7 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | -88.2 | 128 | 162.9 | -72.5 | 178.3 | 155.5 | 0 | 0 | 109 | ||||
| 1227 | D | 31.4 | Very low | 37.1 | Very low | 144 Ų | 144 | 152.2 Ų | 152.2 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | 167 | 127.3 | 126.2 | -90.7 | -18.8 | 0 | 0 | 0 | 111.9 | |||||
| 1228 | N | 32.1 | Very low | 36 | Very low | 153 Ų | 153 | 156 Ų | 156 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 112.2 | -0.3 | 150.3 | -62.8 | -33.2 | 0 | 0 | 0 | 124.9 | ||
| 1229 | E | 35.3 | Very low | 34.9 | Very low | 185 Ų | 185 | 156.3 Ų | 156.3 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -128.1 | 12.9 | -178 | -73.2 | -175.2 | 165.3 | 0 | 0 | 117.5 | R1231 | E1229-R1231 PolarHBondContact O-N 3.09Š| ||
| 1230 | E | 32.7 | Very low | 34 | Very low | 193 Ų | 193 | 153.4 Ų | 153.4 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | 19.9 | -170.4 | -138.4 | -175.1 | -177.6 | 0 | 0 | 116.7 | ||
| 1231 | R | 33.1 | Very low | 33 | Very low | 234 Ų | 234 | 149.6 Ų | 149.6 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | -18.4 | -177.7 | -98.4 | -177.7 | -175.8 | 178.3 | 2.8 | 117.3 | E1229 | E1229-R1231 PolarHBondContact O-N 3.09Š|
| 1232 | D | 35.5 | Very low | 32.3 | Very low | 155 Ų | 155 | 150.9 Ų | 150.9 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -107.2 | -3.1 | -172.3 | -70.9 | -18.8 | 0 | 0 | 0 | 116.1 | ||
| 1233 | Q | 36.4 | Very low | 32.1 | Very low | 193 Ų | 193 | 149.9 Ų | 149.9 | 90% | 0.902 | 78% | 0.784 | S | S | * | * | trans | -94.4 | 16.8 | -178.2 | -77.4 | -176.4 | -7.2 | 0 | 0 | 115.7 | ||||
| 1234 | K | 29.8 | Very low | 32.1 | Very low | 199 Ų | 199 | 154.1 Ų | 154.1 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -96 | 7.9 | -177.7 | -92.6 | -179.3 | -179 | 167.3 | 0 | 116.5 | ||
| 1235 | Q | 29.2 | Very low | 32.2 | Very low | 175 Ų | 175 | 153 Ų | 153 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -137.4 | 109.9 | 173 | -76.6 | -180 | -12.8 | 0 | 0 | 109.5 | ||
| 1236 | I | 28.5 | Very low | 32.5 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | 154.3 | 106.8 | 153.9 | -76.5 | 152 | 0 | 0 | 0 | 106.7 | Y1238 | I1236-Y1238 HydrophobicContact CG2-CE2 4.39Š| ||
| 1237 | G | 26.7 | Very low | 33.6 | Very low | 69 Ų | 69 | 137.8 Ų | 137.8 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | -86.5 | 146.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1238 | Y | 26.9 | Very low | 34.7 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | -137.9 | 116.1 | 156.7 | -82.8 | -78.8 | 0 | 0 | 0 | 109.5 | I1236 | I1236-Y1238 HydrophobicContact CG2-CE2 4.39Š| ||
| 1239 | G | 25.9 | Very low | 36.2 | Very low | 82 Ų | 82 | 131 Ų | 131 | 85% | 0.845 | 69% | 0.685 | S | S | * | * | trans | -84.4 | 126.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1240 | V | 27.9 | Very low | 37.6 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 76% | 0.758 | 66% | 0.655 | S | S | * | * | trans | -138.4 | 133.2 | 162.5 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1241 | S | 30.5 | Very low | 39.4 | Very low | 54 Ų | 54 | 118 Ų | 118 | 38% | 0.378 | 63% | 0.625 | S | S | . | * | trans | -49.4 | 149 | -173.8 | 172.2 | 0 | 0 | 0 | 0 | 115.4 | E1243 | S1241-E1243 PolarHBondContact O-N 2.97Š| ||
| 1242 | S | 32 | Very low | 41.1 | Very low | 119 Ų | 119 | 109.5 Ų | 109.5 | 83% | 0.832 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 19.1 | -172.1 | 55 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1243 | E | 36.5 | Very low | 43 | Very low | 108 Ų | 108 | 104.4 Ų | 104.4 | 51% | 0.505 | 57% | 0.568 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.7 | 0.1 | -168.4 | -75.6 | -136.5 | 131.7 | 0 | 0 | 117.9 | S1241 T1245 E1647 | S1241-E1243 PolarHBondContact O-N 2.97Å; E1243-T1245 PolarHBondContact O-N 3.09Å; E1243-E1647 VanDerWaalsContact CD-CG 3.43Å; E1243-E1647 HydrophobicContact CG-CG 3.81Å; E1243-E1647 WeakPolarHBondContact CG-OE1 3.11Å; E1243-E1647 VanDerWaalsContact OE1-CD 3.26Å; E1243-E1647 WeakPolarHBondContact OE2-CG 3.32Å |
| 1244 | E | 39 | Very low | 44.8 | Very low | 170 Ų | 170 | 97.4 Ų | 97.4 | 79% | 0.794 | 54% | 0.535 | S | S | * | . | trans | -80 | 119.4 | -177.1 | -72.9 | 179 | 167.9 | 0 | 0 | 113.3 | A1246 | E1244-A1246 PolarHBondContact O-N 3.24Š| ||
| 1245 | T | 40 | Very low | 46.8 | Very low | 134 Ų | 134 | 91.1 Ų | 91.1 | 82% | 0.822 | 51% | 0.506 | S | S | * | . | trans | -53.6 | 99.5 | 170.2 | 37.6 | 0 | 0 | 0 | 0 | 112 | E1243 G1247 | E1243-T1245 PolarHBondContact O-N 3.09Å; T1245-G1247 PolarHBondContact O-N 3.42Å | ||
| 1246 | A | 44.1 | Very low | 48.7 | Very low | 31 Ų | 31 | 86.4 Ų | 86.4 | 26% | 0.256 | 49% | 0.486 | S | S | . | . | 38.3 | 87 | 117.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1209 E1244 | A1209-A1246 CarbonylContact O-C 3.59Å; A1209-A1246 WeakPolarHBondContact O-CA 3.44Å; A1209-A1246 WeakPolarHBondContact O-CB 3.31Å; E1244-A1246 PolarHBondContact O-N 3.24Å | |||
| 1247 | G | 52.2 | Low | 50.4 | Low | 24 Ų | 24 | 79.6 Ų | 79.6 | 25% | 0.247 | 45% | 0.453 | C | S | . | . | trans | -47 | 157.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A1209 T1245 | A1209-G1247 WeakPolarHBondContact CA-O 3.46Å; A1209-G1247 VanDerWaalsContact CB-O 3.24Å; A1209-G1247 WeakPolarHBondContact CB-O 3.39Å; A1209-G1247 PolarHBondContact N-O 2.98Å; A1209-G1247 PolarHBondContact O-N 2.9Å; T1245-G1247 PolarHBondContact O-N 3.42Å | ||
| 1248 | Y | 54.2 | Low | 52.3 | Low | 122 Ų | 122 | 79.1 Ų | 79.1 | 48% | 0.478 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 139.8 | 177.8 | -59.1 | -85.6 | 0 | 0 | 0 | 111.2 | I1206 E1207 M1313 | I1206-Y1248 HydrophobicContact CG2-CD1 3.79Å; I1206-Y1248 HydrophobicContact CG2-CG 4.44Å; E1207-Y1248 CarbonylContact O-C 3.51Å; E1207-Y1248 WeakPolarHBondContact O-CA 3.23Å; Y1248-M1313 HydrophobicContact CD2-CG 4.28Å; Y1248-M1313 VanDerWaalsContact O-CG 3.23Å; Y1248-M1313 WeakPolarHBondContact O-CG 3.42Å; Y1248-M1313 PolarHBondContact O-N 2.96Å |
| 1249 | K | 64.4 | Low | 54 | Low | 33 Ų | 33 | 76.9 Ų | 76.9 | 14% | 0.143 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 111.7 | 163.1 | 173.6 | 174.5 | 172.5 | 171.4 | 0 | 107.3 | E1207 A1209 Q1251 A1311 | E1207-K1249 HydrophobicContact CB-CB 4.36Å; E1207-K1249 PolarHBondContact N-O 2.98Å; E1207-K1249 PolarHBondContact O-N 2.92Å; A1209-K1249 HydrophobicContact CB-CB 4.08Å; K1249-Q1251 VanDerWaalsContact CE-NE2 3.27Å; K1249-Q1251 HydrophobicContact CG-CG 4.15Å; K1249-A1311 CarbonylContact C-O 3.51Å; K1249-A1311 WeakPolarHBondContact CA-O 3.27Å |
| 1250 | I | 64.2 | Low | 56.1 | Low | 47 Ų | 47 | 81.4 Ų | 81.4 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 116.2 | 177.6 | -54 | 174.2 | 0 | 0 | 0 | 107.1 | R1205 I1206 I1252 Q1310 A1311 | R1205-I1250 CarbonylContact O-C 3.49Å; R1205-I1250 WeakPolarHBondContact O-CA 3.32Å; I1206-I1250 HydrophobicContact CG1-CG1 4.49Å; I1250-I1252 HydrophobicContact CG2-CD1 4.41Å; I1250-I1252 HydrophobicContact CG2-CG1 4.08Å; I1250-Q1310 CarbonylContact O-C 3.56Å; I1250-Q1310 VanDerWaalsContact O-CA 3.27Å; I1250-Q1310 WeakPolarHBondContact O-CA 3.31Å; I1250-A1311 HydrophobicContact CB-CB 4.3Å; I1250-A1311 PolarHBondContact N-O 3.33Å; I1250-A1311 PolarHBondContact O-N 2.61Å |
| 1251 | Q | 70.3 | Confident | 57.6 | Low | 57 Ų | 57 | 76.7 Ų | 76.7 | 27% | 0.266 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.1 | 173.1 | -61 | -177.7 | -55.2 | 0 | 0 | 108.9 | A1204 R1205 K1249 I1309 Q1310 | A1204-Q1251 CarbonylContact C-O 3.56Å; A1204-Q1251 VanDerWaalsContact CA-O 3.27Å; A1204-Q1251 WeakPolarHBondContact CA-O 3.45Å; R1205-Q1251 HydrophobicContact CB-CB 4.29Å; R1205-Q1251 PolarHBondContact N-O 2.96Å; R1205-Q1251 PolarHBondContact O-N 3.37Å; K1249-Q1251 VanDerWaalsContact CE-NE2 3.27Å; K1249-Q1251 HydrophobicContact CG-CG 4.15Å; Q1251-I1309 CarbonylContact C-O 3.51Å; Q1251-I1309 VanDerWaalsContact CA-O 3.31Å; Q1251-I1309 WeakPolarHBondContact CA-O 3.27Å; Q1251-Q1310 HydrophobicContact CG-CG 4.35Å |
| 1252 | I | 69.5 | Low | 59.2 | Low | 56 Ų | 56 | 74.9 Ų | 74.9 | 29% | 0.287 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 126.6 | 173.9 | -51.9 | 175.2 | 0 | 0 | 0 | 107.3 | I1202 K1203 A1204 I1250 R1308 I1309 | I1202-I1252 HydrophobicContact CG2-CG2 3.95Å; K1203-I1252 CarbonylContact O-C 3.59Å; K1203-I1252 VanDerWaalsContact O-CA 3.29Å; K1203-I1252 WeakPolarHBondContact O-CA 3.42Å; A1204-I1252 HydrophobicContact CB-CG1 4.34Å; I1250-I1252 HydrophobicContact CG2-CD1 4.41Å; I1250-I1252 HydrophobicContact CG2-CG1 4.08Å; I1252-R1308 CarbonylContact O-C 3.49Å; I1252-R1308 WeakPolarHBondContact O-CA 3.48Å; I1252-I1309 HydrophobicContact CB-CB 4.19Å; I1252-I1309 PolarHBondContact N-O 3.41Å; I1252-I1309 PolarHBondContact O-N 3.2Å |
| 1253 | Q | 75.1 | Confident | 60.7 | Low | 48 Ų | 48 | 72.4 Ų | 72.4 | 22% | 0.224 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 116.5 | 176.3 | -177.4 | -176.2 | 6.6 | 0 | 0 | 107.6 | Y1201 I1202 K1203 E1306 R1308 | Y1201-Q1253 HydrophobicContact CE2-CB 4.23Å; Y1201-Q1253 HydrophobicContact CE2-CG 3.75Å; Y1201-Q1253 VanDerWaalsContact OH-CD 3.32Å; Y1201-Q1253 PolarHBondContact OH-NE2 3.25Å; I1202-Q1253 CarbonylContact C-O 3.59Å; I1202-Q1253 WeakPolarHBondContact CA-O 2.99Å; K1203-Q1253 HydrophobicContact CB-CB 4.33Å; K1203-Q1253 PolarHBondContact N-O 3.1Å; K1203-Q1253 PolarHBondContact O-N 3.07Å; Q1253-E1306 HydrophobicContact CG-CG 4.28Å; Q1253-E1306 PolarHBondContact NE2-OE1 3.35Å; Q1253-R1308 HydrophobicContact CG-CG 4.2Å |
| 1254 | H | 73.3 | Confident | 61.7 | Low | 47 Ų | 47 | 73.3 Ų | 73.3 | 22% | 0.218 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.3 | 176.7 | -172.1 | -40 | 0 | 0 | 0 | 109.2 | W1192 Y1201 I1202 V1257 E1306 V1307 | W1192-H1254 AromaticContact CH2-CE1 3.22Å; W1192-H1254 WeakPolarHBondContact CH2-CE1 3.37Å; W1192-H1254 AromaticContact CH2-ND1 3.59Å; W1192-H1254 AromaticContact CH2-NE2 3.67Å; W1192-H1254 AromaticContact CZ2-CE1 3.44Å; W1192-H1254 VanDerWaalsContact CZ2-CE1 3.44Å; W1192-H1254 WeakPolarHBondContact CZ2-CE1 3.02Å; Y1201-H1254 WeakPolarHBondContact O-CA 3.44Å; I1202-H1254 HydrophobicContact CG1-CB 4.14Å; I1202-H1254 VanDerWaalsContact CG1-CD2 3.43Å; I1202-H1254 WeakPolarHBondContact CG1-CD2 3.43Å; H1254-V1257 HydrophobicContact CB-CG2 3.83Å; H1254-V1257 VanDerWaalsContact CG-CG2 3.45Å; H1254-V1257 WeakPolarHBondContact ND1-CG2 3.42Å; H1254-E1306 CarbonylContact O-C 3.54Å; H1254-E1306 WeakPolarHBondContact O-CA 3.44Å; H1254-V1307 PolarHBondContact N-O 2.91Å; H1254-V1307 PolarHBondContact O-N 3.38Å |
| 1255 | R | 72.4 | Confident | 62.6 | Low | 66 Ų | 66 | 67 Ų | 67 | 25% | 0.249 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -101.4 | 150.5 | 175.2 | -165.1 | 174.5 | 176.6 | -170.4 | -1.9 | 110.7 | D1198 E1199 Y1201 V1257 G1305 | D1198-R1255 PolarHBondContact O-NH1 3.35Å; E1199-R1255 WeakPolarHBondContact O-CD 3.39Å; E1199-R1255 VanDerWaalsContact O-CG 3.28Å; E1199-R1255 WeakPolarHBondContact O-CG 3.45Å; Y1201-R1255 HydrophobicContact CD1-CB 3.88Å; Y1201-R1255 HydrophobicContact CE1-CB 3.57Å; Y1201-R1255 HydrophobicContact CE1-CG 4.07Å; Y1201-R1255 HydrophobicContact CE2-CB 4.37Å; Y1201-R1255 HydrophobicContact CG-CB 4.42Å; Y1201-R1255 PolarHBondContact O-N 3.49Å; R1255-V1257 PolarHBondContact O-N 3.39Å; R1255-G1305 CarbonylContact C-O 3.55Å |
| 1256 | N | 69.6 | Low | 63.7 | Low | 76 Ų | 76 | 61.6 Ų | 61.6 | 41% | 0.406 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 53 | 46.4 | -172.8 | -71.4 | -15.2 | 0 | 0 | 0 | 114.4 | E1199 N1200 P1258 G1305 | E1199-N1256 PolarHBondContact O-ND2 2.73Å; N1200-N1256 VanDerWaalsContact OD1-CB 3.23Å; N1200-N1256 WeakPolarHBondContact OD1-CB 3.15Å; N1200-N1256 PolarHBondContact OD1-ND2 2.8Å; N1256-P1258 WeakPolarHBondContact O-CD 3.44Å; N1256-G1305 WeakPolarHBondContact CA-O 3.49Å; N1256-G1305 PolarHBondContact N-O 2.79Å |
| 1257 | V | 64.3 | Low | 64.5 | Low | 20 Ų | 20 | 64.5 Ų | 64.5 | 12% | 0.121 | 32% | 0.318 | C | S | . | . | trans | -63.2 | 122.5 | 169.3 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | H1254 R1255 A1261 V1262 G1305 V1307 | H1254-V1257 HydrophobicContact CB-CG2 3.83Å; H1254-V1257 VanDerWaalsContact CG-CG2 3.45Å; H1254-V1257 WeakPolarHBondContact ND1-CG2 3.42Å; R1255-V1257 PolarHBondContact O-N 3.39Å; V1257-A1261 HydrophobicContact CG1-CB 3.77Å; V1257-V1262 HydrophobicContact CB-CG2 4.01Å; V1257-V1262 HydrophobicContact CG1-CG2 3.61Å; V1257-G1305 PolarHBondContact N-O 2.78Å; V1257-V1307 HydrophobicContact CB-CG2 4.22Å; V1257-V1307 HydrophobicContact CG1-CG2 4.41Å; V1257-V1307 HydrophobicContact CG2-CB 4Å; V1257-V1307 HydrophobicContact CG2-CG2 3.7Å | ||
| 1258 | P | 66.4 | Low | 64.8 | Low | 58 Ų | 58 | 67.3 Ų | 67.3 | 38% | 0.377 | 33% | 0.327 | S | S | . | . | trans | -54.8 | 140.5 | 176.1 | -24.4 | 32.8 | 0 | 0 | 0 | 111.3 | N1256 W1260 A1261 V1262 | N1256-P1258 WeakPolarHBondContact O-CD 3.44Å; P1258-W1260 HydrophobicContact CB-CD2 4.49Å; P1258-W1260 HydrophobicContact CB-CG 4.15Å; P1258-W1260 PolarHBondContact O-N 2.9Å; P1258-W1260 VanDerWaalsContact O-N 3.16Å; P1258-A1261 HydrophobicContact CB-CB 4.36Å; P1258-A1261 WeakPolarHBondContact O-CA 3.42Å; P1258-A1261 WeakPolarHBondContact O-CB 3.5Å; P1258-A1261 PolarHBondContact O-N 3.29Å; P1258-V1262 PolarHBondContact O-N 2.9Å; P1258-V1262 VanDerWaalsContact O-N 3.14Å | ||
| 1259 | E | 62.4 | Low | 65.1 | Low | 138 Ų | 138 | 62.3 Ų | 62.3 | 65% | 0.645 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -52.4 | -41.2 | 179.6 | -88.6 | -167.9 | 142.9 | 0 | 0 | 112.1 | A1261 V1262 D1263 R1327 | E1259-A1261 PolarHBondContact O-N 3.14Å; E1259-V1262 WeakPolarHBondContact O-CB 3.47Å; E1259-V1262 PolarHBondContact O-N 3.46Å; E1259-D1263 PolarHBondContact O-N 2.82Å; E1259-R1327 IonicContact OE1-NH2 2.75Å |
| 1260 | W | 70 | Confident | 64.9 | Low | 177 Ų | 177 | 67.5 Ų | 67.5 | 67% | 0.67 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59.5 | -31 | 176.4 | 73.3 | -98.2 | 0 | 0 | 0 | 113.1 | P1258 K1264 | P1258-W1260 HydrophobicContact CB-CD2 4.49Å; P1258-W1260 HydrophobicContact CB-CG 4.15Å; P1258-W1260 PolarHBondContact O-N 2.9Å; P1258-W1260 VanDerWaalsContact O-N 3.16Å; W1260-K1264 WeakPolarHBondContact O-CB 3.28Å; W1260-K1264 PolarHBondContact O-N 2.77Å |
| 1261 | A | 60.1 | Low | 64.6 | Low | 25 Ų | 25 | 70 Ų | 70 | 21% | 0.207 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -79.1 | -31.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V1257 P1258 E1259 A1265 | V1257-A1261 HydrophobicContact CG1-CB 3.77Å; P1258-A1261 HydrophobicContact CB-CB 4.36Å; P1258-A1261 WeakPolarHBondContact O-CA 3.42Å; P1258-A1261 WeakPolarHBondContact O-CB 3.5Å; P1258-A1261 PolarHBondContact O-N 3.29Å; E1259-A1261 PolarHBondContact O-N 3.14Å; A1261-A1265 WeakPolarHBondContact O-CB 3.29Å; A1261-A1265 PolarHBondContact O-N 3.46Å |
| 1262 | V | 63.2 | Low | 63.6 | Low | 16 Ų | 16 | 69.5 Ų | 69.5 | 10% | 0.097 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -67 | -44 | 169.7 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | V1257 P1258 E1259 A1265 E1266 | V1257-V1262 HydrophobicContact CB-CG2 4.01Å; V1257-V1262 HydrophobicContact CG1-CG2 3.61Å; P1258-V1262 PolarHBondContact O-N 2.9Å; P1258-V1262 VanDerWaalsContact O-N 3.14Å; E1259-V1262 WeakPolarHBondContact O-CB 3.47Å; E1259-V1262 PolarHBondContact O-N 3.46Å; V1262-A1265 PolarHBondContact O-N 3.26Å; V1262-E1266 PolarHBondContact O-N 3.33Å |
| 1263 | D | 63.2 | Low | 62.8 | Low | 67 Ų | 67 | 68.2 Ų | 68.2 | 36% | 0.358 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 176.6 | -67.9 | -24 | 0 | 0 | 0 | 111.5 | E1259 A1265 E1266 D1267 R1327 | E1259-D1263 PolarHBondContact O-N 2.82Å; D1263-A1265 VanDerWaalsContact C-N 3.32Å; D1263-A1265 PolarHBondContact O-N 3.19Å; D1263-E1266 WeakPolarHBondContact O-CB 3.26Å; D1263-E1266 PolarHBondContact O-N 3.39Å; D1263-D1267 PolarHBondContact O-N 2.82Å; D1263-R1327 IonicContact OD1-NH1 2.99Å |
| 1264 | K | 58.1 | Low | 61.6 | Low | 127 Ų | 127 | 67 Ų | 67 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.3 | -37.8 | 174.3 | -155.1 | 103 | 177.2 | -175.3 | 0 | 111.9 | W1260 D1267 I1268 | W1260-K1264 WeakPolarHBondContact O-CB 3.28Å; W1260-K1264 PolarHBondContact O-N 2.77Å; K1264-D1267 PolarHBondContact O-N 3.5Å; K1264-I1268 HydrophobicContact CG-CD1 4.26Å; K1264-I1268 WeakPolarHBondContact O-CB 3.47Å; K1264-I1268 WeakPolarHBondContact O-CD1 3.46Å; K1264-I1268 WeakPolarHBondContact O-CG1 3.4Å; K1264-I1268 PolarHBondContact O-N 2.97Å |
| 1265 | A | 57.9 | Low | 60.2 | Low | 37 Ų | 37 | 66.4 Ų | 66.4 | 31% | 0.306 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.5 | -39.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | A1261 V1262 D1263 I1268 I1269 | A1261-A1265 WeakPolarHBondContact O-CB 3.29Å; A1261-A1265 PolarHBondContact O-N 3.46Å; V1262-A1265 PolarHBondContact O-N 3.26Å; D1263-A1265 VanDerWaalsContact C-N 3.32Å; D1263-A1265 PolarHBondContact O-N 3.19Å; A1265-I1268 PolarHBondContact O-N 2.72Å; A1265-I1269 HydrophobicContact CB-CD1 4.48Å; A1265-I1269 VanDerWaalsContact O-CB 3.26Å; A1265-I1269 WeakPolarHBondContact O-CB 3.37Å; A1265-I1269 WeakPolarHBondContact O-CD1 3.45Å; A1265-I1269 WeakPolarHBondContact O-CG1 3.37Å; A1265-I1269 PolarHBondContact O-N 3.16Å |
| 1266 | E | 61.9 | Low | 59.1 | Low | 21 Ų | 21 | 69.8 Ų | 69.8 | 10% | 0.098 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 170.7 | -79.8 | -154.3 | 171.9 | 0 | 0 | 112.5 | V1262 D1263 I1269 R1270 K1328 | V1262-E1266 PolarHBondContact O-N 3.33Å; D1263-E1266 WeakPolarHBondContact O-CB 3.26Å; D1263-E1266 PolarHBondContact O-N 3.39Å; E1266-I1269 PolarHBondContact O-N 3.12Å; E1266-R1270 VanDerWaalsContact O-CB 3.3Å; E1266-R1270 WeakPolarHBondContact O-CB 3.26Å; E1266-R1270 PolarHBondContact O-N 3.35Å; E1266-R1270 IonicContact OE2-NH2 3.37Å; E1266-R1270 PolarHBondContact OE2-NH2 2.75Å; E1266-R1270 VanDerWaalsContact OE2-NH2 3.13Å; E1266-K1328 WeakPolarHBondContact OE1-CD 3.42Å; E1266-K1328 WeakPolarHBondContact OE1-CE 3.47Å; E1266-K1328 IonicContact OE1-NZ 3.91Å; E1266-K1328 PolarHBondContact OE1-NZ 2.62Å; E1266-K1328 IonicContact OE2-NZ 3.33Å; E1266-K1328 PolarHBondContact OE2-NZ 2.74Å |
| 1267 | D | 62.7 | Low | 58 | Low | 92 Ų | 92 | 70.9 Ų | 70.9 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 175.9 | -72.5 | -20.7 | 0 | 0 | 0 | 111.4 | D1263 K1264 R1270 M1271 | D1263-D1267 PolarHBondContact O-N 2.82Å; K1264-D1267 PolarHBondContact O-N 3.5Å; D1267-R1270 PolarHBondContact O-N 2.73Å; D1267-M1271 VanDerWaalsContact O-CB 3.23Å; D1267-M1271 WeakPolarHBondContact O-CB 3.21Å; D1267-M1271 PolarHBondContact O-N 2.75Å |
| 1268 | I | 58 | Low | 57.6 | Low | 84 Ų | 84 | 72.7 Ų | 72.7 | 43% | 0.431 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 175.2 | -70.7 | 163.8 | 0 | 0 | 0 | 110.3 | K1264 A1265 M1271 L1272 | K1264-I1268 HydrophobicContact CG-CD1 4.26Å; K1264-I1268 WeakPolarHBondContact O-CB 3.47Å; K1264-I1268 WeakPolarHBondContact O-CD1 3.46Å; K1264-I1268 WeakPolarHBondContact O-CG1 3.4Å; K1264-I1268 PolarHBondContact O-N 2.97Å; A1265-I1268 PolarHBondContact O-N 2.72Å; I1268-M1271 CarbonylContact O-C 3.48Å; I1268-M1271 WeakPolarHBondContact O-CB 3.34Å; I1268-M1271 PolarHBondContact O-N 3.39Å; I1268-L1272 HydrophobicContact CG2-CD1 3.71Å; I1268-L1272 HydrophobicContact CG2-CG 4.17Å; I1268-L1272 WeakPolarHBondContact O-CB 3.4Å; I1268-L1272 WeakPolarHBondContact O-CG 3.48Å; I1268-L1272 PolarHBondContact O-N 2.88Å |
| 1269 | I | 60.8 | Low | 56.9 | Low | 16 Ų | 16 | 73.1 Ų | 73.1 | 8% | 0.082 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 177.6 | -73.1 | 152.2 | 0 | 0 | 0 | 109.7 | A1265 E1266 M1271 L1272 T1273 I1323 I1330 | A1265-I1269 HydrophobicContact CB-CD1 4.48Å; A1265-I1269 VanDerWaalsContact O-CB 3.26Å; A1265-I1269 WeakPolarHBondContact O-CB 3.37Å; A1265-I1269 WeakPolarHBondContact O-CD1 3.45Å; A1265-I1269 WeakPolarHBondContact O-CG1 3.37Å; A1265-I1269 PolarHBondContact O-N 3.16Å; E1266-I1269 PolarHBondContact O-N 3.12Å; I1269-M1271 VanDerWaalsContact C-N 3.29Å; I1269-M1271 PolarHBondContact O-N 3.19Å; I1269-L1272 PolarHBondContact O-N 3.35Å; I1269-T1273 HydrophobicContact CG2-CG2 4Å; I1269-T1273 WeakPolarHBondContact O-CB 3.42Å; I1269-T1273 WeakPolarHBondContact O-CG2 3.46Å; I1269-T1273 PolarHBondContact O-N 2.58Å; I1269-T1273 PolarHBondContact O-OG1 2.87Å; I1269-I1323 HydrophobicContact CD1-CD1 4.29Å; I1269-I1330 HydrophobicContact CB-CD1 4.39Å; I1269-I1330 HydrophobicContact CD1-CD1 3.32Å; I1269-I1330 HydrophobicContact CG1-CD1 4.13Å; I1269-I1330 HydrophobicContact CG2-CD1 3.78Å; I1269-I1330 HydrophobicContact CG2-CG1 4.23Å; I1269-I1330 HydrophobicContact CG2-CG2 4.19Å |
| 1270 | R | 60.3 | Low | 56.2 | Low | 143 Ų | 143 | 68.4 Ų | 68.4 | 54% | 0.54 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 170.7 | -111.1 | 177.5 | -90.5 | 179.6 | -5.3 | 111.2 | E1266 D1267 T1273 S1274 | E1266-R1270 VanDerWaalsContact O-CB 3.3Å; E1266-R1270 WeakPolarHBondContact O-CB 3.26Å; E1266-R1270 PolarHBondContact O-N 3.35Å; E1266-R1270 IonicContact OE2-NH2 3.37Å; E1266-R1270 PolarHBondContact OE2-NH2 2.75Å; E1266-R1270 VanDerWaalsContact OE2-NH2 3.13Å; D1267-R1270 PolarHBondContact O-N 2.73Å; R1270-T1273 WeakPolarHBondContact CA-OG1 3.28Å; R1270-T1273 PolarHBondContact O-OG1 2.84Å; R1270-T1273 VanDerWaalsContact O-OG1 3.07Å; R1270-S1274 WeakPolarHBondContact O-CB 3.29Å; R1270-S1274 PolarHBondContact O-N 3.19Å; R1270-S1274 PolarHBondContact O-OG 2.77Å |
| 1271 | M | 56.1 | Low | 55.5 | Low | 98 Ų | 98 | 65.5 Ų | 65.5 | 48% | 0.483 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.4 | -172 | -169.6 | 105 | 0 | 0 | 112 | D1267 I1268 I1269 S1274 M1275 | D1267-M1271 VanDerWaalsContact O-CB 3.23Å; D1267-M1271 WeakPolarHBondContact O-CB 3.21Å; D1267-M1271 PolarHBondContact O-N 2.75Å; I1268-M1271 CarbonylContact O-C 3.48Å; I1268-M1271 WeakPolarHBondContact O-CB 3.34Å; I1268-M1271 PolarHBondContact O-N 3.39Å; I1269-M1271 VanDerWaalsContact C-N 3.29Å; I1269-M1271 PolarHBondContact O-N 3.19Å; M1271-S1274 WeakPolarHBondContact CA-OG 3.43Å; M1271-S1274 PolarHBondContact O-OG 2.83Å; M1271-M1275 HydrophobicContact CE-SD 4.12Å; M1271-M1275 HydrophobicContact CG-SD 4.34Å; M1271-M1275 WeakPolarHBondContact O-CG 3.42Å; M1271-M1275 PolarHBondContact O-N 2.78Å |
| 1272 | L | 50 | Low | 55 | Low | 48 Ų | 48 | 67.7 Ų | 67.7 | 25% | 0.251 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -74.7 | -38.9 | 179.5 | -72.1 | 170.1 | 0 | 0 | 0 | 111.6 | I1268 I1269 M1275 W1278 | I1268-L1272 HydrophobicContact CG2-CD1 3.71Å; I1268-L1272 HydrophobicContact CG2-CG 4.17Å; I1268-L1272 WeakPolarHBondContact O-CB 3.4Å; I1268-L1272 WeakPolarHBondContact O-CG 3.48Å; I1268-L1272 PolarHBondContact O-N 2.88Å; I1269-L1272 PolarHBondContact O-N 3.35Å; L1272-M1275 PolarHBondContact O-N 2.82Å; L1272-W1278 HydrophobicContact CD1-CH2 4.19Å; L1272-W1278 HydrophobicContact CD1-CZ3 4.21Å; L1272-W1278 HydrophobicContact CD2-CH2 4.35Å |
| 1273 | T | 52.1 | Low | 54.6 | Low | 28 Ų | 28 | 71.3 Ų | 71.3 | 17% | 0.172 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -71 | -35.2 | 174.8 | 58.7 | 0 | 0 | 0 | 0 | 111.3 | I1269 R1270 M1275 N1276 T1280 I1282 | I1269-T1273 HydrophobicContact CG2-CG2 4Å; I1269-T1273 WeakPolarHBondContact O-CB 3.42Å; I1269-T1273 WeakPolarHBondContact O-CG2 3.46Å; I1269-T1273 PolarHBondContact O-N 2.58Å; I1269-T1273 PolarHBondContact O-OG1 2.87Å; R1270-T1273 WeakPolarHBondContact CA-OG1 3.28Å; R1270-T1273 PolarHBondContact O-OG1 2.84Å; R1270-T1273 VanDerWaalsContact O-OG1 3.07Å; T1273-M1275 PolarHBondContact O-N 2.92Å; T1273-N1276 PolarHBondContact O-N 2.98Å; T1273-T1280 HydrophobicContact CG2-CG2 3.41Å; T1273-T1280 VanDerWaalsContact CG2-CG2 3.41Å; T1273-I1282 HydrophobicContact CG2-CD1 3.79Å; T1273-I1282 HydrophobicContact CG2-CG1 4.4Å |
| 1274 | S | 51.1 | Low | 53.8 | Low | 22 Ų | 22 | 73.2 Ų | 73.2 | 15% | 0.154 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -9.3 | 172.9 | 70.3 | 0 | 0 | 0 | 0 | 113.3 | R1270 M1271 | R1270-S1274 WeakPolarHBondContact O-CB 3.29Å; R1270-S1274 PolarHBondContact O-N 3.19Å; R1270-S1274 PolarHBondContact O-OG 2.77Å; M1271-S1274 WeakPolarHBondContact CA-OG 3.43Å; M1271-S1274 PolarHBondContact O-OG 2.83Å |
| 1275 | M | 44.7 | Very low | 53.5 | Low | 35 Ų | 35 | 72.5 Ų | 72.5 | 17% | 0.172 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 2 | 175.5 | -73.3 | 173.1 | 62 | 0 | 0 | 113 | M1271 L1272 T1273 Y1277 R1497 | M1271-M1275 HydrophobicContact CE-SD 4.12Å; M1271-M1275 HydrophobicContact CG-SD 4.34Å; M1271-M1275 WeakPolarHBondContact O-CG 3.42Å; M1271-M1275 PolarHBondContact O-N 2.78Å; L1272-M1275 PolarHBondContact O-N 2.82Å; T1273-M1275 PolarHBondContact O-N 2.92Å; M1275-Y1277 HydrophobicContact CB-CD2 4Å; M1275-Y1277 HydrophobicContact CE-CD2 3.99Å; M1275-Y1277 HydrophobicContact CE-CE2 3.92Å; M1275-Y1277 WeakPolarHBondContact O-CD2 3.36Å; M1275-Y1277 PolarHBondContact O-N 3.47Å; M1275-R1497 HydrophobicContact CE-CG 3.63Å; M1275-R1497 HydrophobicContact CG-CG 4.47Å |
| 1276 | N | 47.7 | Very low | 52.9 | Low | 137 Ų | 137 | 82 Ų | 82 | 73% | 0.733 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 18.6 | 174 | -92.5 | -13.7 | 0 | 0 | 0 | 116.9 | T1273 W1278 | T1273-N1276 PolarHBondContact O-N 2.98Å; N1276-W1278 PolarHBondContact O-N 3.26Å |
| 1277 | Y | 47.9 | Very low | 51.8 | Low | 99 Ų | 99 | 90.2 Ų | 90.2 | 39% | 0.388 | 43% | 0.43 | S | S | . | . | trans | -73.7 | -30.2 | -172.6 | -103.5 | -65.6 | 0 | 0 | 0 | 113.8 | M1275 G1496 | M1275-Y1277 HydrophobicContact CB-CD2 4Å; M1275-Y1277 HydrophobicContact CE-CD2 3.99Å; M1275-Y1277 HydrophobicContact CE-CE2 3.92Å; M1275-Y1277 WeakPolarHBondContact O-CD2 3.36Å; M1275-Y1277 PolarHBondContact O-N 3.47Å; Y1277-G1496 WeakPolarHBondContact CE2-O 3.31Å; Y1277-G1496 WeakPolarHBondContact OH-CA 3.27Å; Y1277-G1496 PolarHBondContact OH-O 3.25Å | ||
| 1278 | W | 54.1 | Low | 50.4 | Low | 58 Ų | 58 | 96.3 Ų | 96.3 | 22% | 0.22 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -128.5 | 144.3 | -172.1 | -44.8 | -27 | 0 | 0 | 0 | 108.7 | L1272 N1276 T1280 M1332 V1335 | L1272-W1278 HydrophobicContact CD1-CH2 4.19Å; L1272-W1278 HydrophobicContact CD1-CZ3 4.21Å; L1272-W1278 HydrophobicContact CD2-CH2 4.35Å; N1276-W1278 PolarHBondContact O-N 3.26Å; W1278-T1280 PolarHBondContact O-N 2.8Å; W1278-T1280 PolarHBondContact O-OG1 3.13Å; W1278-M1332 HydrophobicContact CB-CB 4.49Å; W1278-M1332 HydrophobicContact CE3-CB 4.05Å; W1278-M1332 HydrophobicContact CE3-CE 4.18Å; W1278-M1332 HydrophobicContact CE3-CG 4Å; W1278-M1332 HydrophobicContact CE3-SD 3.39Å; W1278-M1332 HydrophobicContact CZ3-CE 3.9Å; W1278-M1332 HydrophobicContact CZ3-SD 3.5Å; W1278-M1332 WeakPolarHBondContact CZ3-SD 3.24Å; W1278-V1335 HydrophobicContact CB-CG2 4.36Å; W1278-V1335 HydrophobicContact CD2-CB 4.21Å; W1278-V1335 HydrophobicContact CD2-CG1 3.86Å; W1278-V1335 HydrophobicContact CD2-CG2 3.82Å; W1278-V1335 HydrophobicContact CE3-CB 4.25Å; W1278-V1335 HydrophobicContact CE3-CG1 3.81Å; W1278-V1335 HydrophobicContact CE3-CG2 3.56Å; W1278-V1335 HydrophobicContact CG-CG2 4.13Å; W1278-V1335 HydrophobicContact CH2-CG1 3.64Å; W1278-V1335 HydrophobicContact CZ2-CG1 3.69Å; W1278-V1335 HydrophobicContact CZ3-CG1 3.69Å; W1278-V1335 HydrophobicContact CZ3-CG2 4.1Å |
| 1279 | S | 52.8 | Low | 49.2 | Very low | 68 Ų | 68 | 102.7 Ų | 102.7 | 48% | 0.476 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 100.1 | 173 | 46 | 0 | 0 | 0 | 0 | 108.7 | M1332 N1333 | S1279-M1332 CarbonylContact O-C 3.6Å; S1279-M1332 WeakPolarHBondContact O-CA 3.41Å; S1279-N1333 PolarHBondContact O-N 2.58Å; S1279-N1333 WeakPolarHBondContact OG-CB 3.3Å; S1279-N1333 PolarHBondContact OG-O 2.89Å |
| 1280 | T | 47.5 | Very low | 48.4 | Very low | 38 Ų | 38 | 108.1 Ų | 108.1 | 23% | 0.233 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 104.4 | -168.5 | -41.5 | 0 | 0 | 0 | 0 | 109.9 | T1273 W1278 I1282 I1330 R1331 M1332 | T1273-T1280 HydrophobicContact CG2-CG2 3.41Å; T1273-T1280 VanDerWaalsContact CG2-CG2 3.41Å; W1278-T1280 PolarHBondContact O-N 2.8Å; W1278-T1280 PolarHBondContact O-OG1 3.13Å; T1280-I1282 HydrophobicContact CG2-CG1 4.29Å; T1280-I1330 HydrophobicContact CG2-CG2 3.75Å; T1280-R1331 CarbonylContact C-O 3.24Å; T1280-R1331 VanDerWaalsContact CA-O 3.26Å; T1280-R1331 WeakPolarHBondContact CA-O 3.23Å; T1280-M1332 HydrophobicContact CG2-CG 3.45Å; T1280-M1332 VanDerWaalsContact CG2-CG 3.45Å; T1280-M1332 HydrophobicContact CG2-SD 4.35Å |
| 1281 | E | 54.4 | Low | 47.5 | Very low | 117 Ų | 117 | 105 Ų | 105 | 55% | 0.547 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 116.7 | 169.3 | -80.2 | 176.7 | 175.2 | 0 | 0 | 109.3 | R1331 | E1281-R1331 HydrophobicContact CB-CB 4.28Å; E1281-R1331 PolarHBondContact N-O 3.45Å; E1281-R1331 PolarHBondContact O-N 3.02Å |
| 1282 | I | 51 | Low | 47 | Very low | 70 Ų | 70 | 103.9 Ų | 103.9 | 36% | 0.359 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 104.2 | 173.2 | -56 | 177.9 | 0 | 0 | 0 | 108.1 | T1273 T1280 N1284 K1328 | T1273-I1282 HydrophobicContact CG2-CD1 3.79Å; T1273-I1282 HydrophobicContact CG2-CG1 4.4Å; T1280-I1282 HydrophobicContact CG2-CG1 4.29Å; I1282-N1284 PolarHBondContact O-N 2.03Å; I1282-K1328 HydrophobicContact CG2-CD 4.45Å |
| 1283 | E | 54.7 | Low | 47 | Very low | 93 Ų | 93 | 106 Ų | 106 | 44% | 0.435 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 100.8 | 168.3 | -90.8 | 175 | -168.3 | 0 | 0 | 109.1 | K1285 T1329 R1331 | E1283-K1285 PolarHBondContact O-N 3.43Å; E1283-T1329 PolarHBondContact N-O 3.22Å; E1283-T1329 PolarHBondContact O-N 3.17Å; E1283-R1331 IonicContact OE1-CZ 3.25Å; E1283-R1331 IonicContact OE1-NH1 2.68Å; E1283-R1331 PolarHBondContact OE1-NH1 2.88Å; E1283-R1331 IonicContact OE1-NH2 2.81Å; E1283-R1331 IonicContact OE2-CZ 2.69Å; E1283-R1331 IonicContact OE2-NH1 3.93Å; E1283-R1331 PolarHBondContact OE2-NH1 3.34Å; E1283-R1331 IonicContact OE2-NH2 3.21Å |
| 1284 | N | 47.1 | Very low | 46.6 | Very low | 107 Ų | 107 | 113.2 Ų | 113.2 | 57% | 0.572 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72 | 111.4 | 168.6 | -79.8 | -38 | 0 | 0 | 0 | 109.2 | I1282 R1286 K1328 | I1282-N1284 PolarHBondContact O-N 2.03Å; N1284-R1286 PolarHBondContact O-N 2.89Å; N1284-K1328 WeakPolarHBondContact OD1-CE 3.5Å |
| 1285 | K | 50.1 | Low | 46.4 | Very low | 111 Ų | 111 | 118.6 Ų | 118.6 | 48% | 0.483 | 56% | 0.561 | S | S | . | * | trans | -73.9 | 70.7 | 169.9 | -68.3 | -175.1 | 175.1 | -177.1 | 0 | 109.7 | E1283 | E1283-K1285 PolarHBondContact O-N 3.43Š| ||
| 1286 | R | 45.6 | Very low | 46.7 | Very low | 238 Ų | 238 | 126.3 Ų | 126.3 | 90% | 0.898 | 59% | 0.588 | S | S | * | * | trans | -116.2 | 122.7 | 173.4 | -121.4 | 179.4 | -176.4 | -179.4 | 0.8 | 110.4 | N1284 R1288 | N1284-R1286 PolarHBondContact O-N 2.89Å; R1286-R1288 PolarHBondContact O-N 3.36Å | ||
| 1287 | Q | 39 | Very low | 46.6 | Very low | 193 Ų | 193 | 124.8 Ų | 124.8 | 90% | 0.902 | 58% | 0.577 | S | S | * | * | trans | -57.4 | 116.9 | -169.5 | -65 | 164.2 | -27.3 | 0 | 0 | 114 | ||||
| 1288 | R | 34.4 | Very low | 46.3 | Very low | 220 Ų | 220 | 129.5 Ų | 129.5 | 83% | 0.83 | 59% | 0.594 | S | S | * | * | trans | -167.3 | 125.5 | 149.7 | -114.7 | 173 | -172.7 | 174.3 | 1.8 | 111 | R1286 | R1286-R1288 PolarHBondContact O-N 3.36Š| ||
| 1289 | Y | 32.6 | Very low | 46 | Very low | 218 Ų | 218 | 134.2 Ų | 134.2 | 86% | 0.855 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 85 | 137.2 | 170.4 | -64 | -84.8 | 0 | 0 | 0 | 120.1 | ||
| 1290 | D | 43.6 | Very low | 45.9 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 70% | 0.695 | 63% | 0.63 | S | S | * | * | trans | 70.4 | 126.2 | 173.7 | -104.2 | -33.7 | 0 | 0 | 0 | 124.8 | ||||
| 1291 | S | 41.7 | Very low | 46.1 | Very low | 76 Ų | 76 | 141.3 Ų | 141.3 | 53% | 0.531 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -80.6 | -18.7 | -173.3 | 61.7 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1292 | A | 45.9 | Very low | 46.2 | Very low | 75 Ų | 75 | 136.6 Ų | 136.6 | 62% | 0.62 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -76.4 | -25.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1294 | A1292-R1294 VanDerWaalsContact C-N 3.33Å; A1292-R1294 PolarHBondContact O-N 3.04Å |
| 1293 | E | 49.4 | Very low | 46.8 | Very low | 94 Ų | 94 | 141.5 Ų | 141.5 | 44% | 0.439 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -77 | -19.1 | -178.3 | -151.4 | 61.9 | -150.5 | 0 | 0 | 113 | N1295 R1296 Q1297 | E1293-N1295 PolarHBondContact O-N 2.75Å; E1293-R1296 PolarHBondContact O-N 3.24Å; E1293-Q1297 HydrophobicContact CG-CG 4.3Å; E1293-Q1297 PolarHBondContact O-N 3.03Å |
| 1294 | R | 43.9 | Very low | 47.1 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 68% | 0.675 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -61.4 | -26.9 | -178.3 | -97.5 | -174.3 | -77.5 | -157.6 | -5.4 | 114.3 | A1292 | A1292-R1294 VanDerWaalsContact C-N 3.33Å; A1292-R1294 PolarHBondContact O-N 3.04Å |
| 1295 | N | 47 | Very low | 48 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -89.2 | -23.7 | -178.5 | -73.5 | -19.1 | 0 | 0 | 0 | 113.1 | E1293 | E1293-N1295 PolarHBondContact O-N 2.75Š|
| 1296 | R | 49.3 | Very low | 49 | Very low | 197 Ų | 197 | 132.4 Ų | 132.4 | 74% | 0.743 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -30.2 | 176.6 | -77.1 | -178.6 | 177.6 | 153.7 | -1.3 | 112.9 | E1293 R1298 | E1293-R1296 PolarHBondContact O-N 3.24Å; R1296-R1298 VanDerWaalsContact C-N 3.29Å; R1296-R1298 PolarHBondContact O-N 3.31Å |
| 1297 | Q | 45.9 | Very low | 50.3 | Low | 104 Ų | 104 | 122 Ų | 122 | 49% | 0.486 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -77.3 | -6.4 | -179.7 | -72 | -176.1 | -4.4 | 0 | 0 | 115.1 | E1293 D1299 | E1293-Q1297 HydrophobicContact CG-CG 4.3Å; E1293-Q1297 PolarHBondContact O-N 3.03Å; Q1297-D1299 VanDerWaalsContact C-N 3.3Å; Q1297-D1299 PolarHBondContact O-N 2.65Å |
| 1298 | R | 42.9 | Very low | 52.2 | Low | 199 Ų | 199 | 116.9 Ų | 116.9 | 75% | 0.751 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -71.3 | -21.3 | -175.9 | -129.5 | 179.5 | -166.1 | -166.7 | 4 | 113.9 | R1296 | R1296-R1298 VanDerWaalsContact C-N 3.29Å; R1296-R1298 PolarHBondContact O-N 3.31Å |
| 1299 | D | 46.3 | Very low | 54.2 | Low | 156 Ų | 156 | 109.1 Ų | 109.1 | 83% | 0.834 | 53% | 0.528 | S | S | * | . | G | 310 helix | trans | -97 | -6.3 | -179.1 | -71.7 | -25.8 | 0 | 0 | 0 | 114.1 | Q1297 | Q1297-D1299 VanDerWaalsContact C-N 3.3Å; Q1297-D1299 PolarHBondContact O-N 2.65Å |
| 1300 | E | 52.3 | Low | 56.3 | Low | 131 Ų | 131 | 100.4 Ų | 100.4 | 61% | 0.612 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -115.3 | 9.4 | -176.2 | -70.1 | -165.5 | 145.8 | 0 | 0 | 115 | ||
| 1301 | Q | 51.5 | Low | 57.8 | Low | 125 Ų | 125 | 95 Ų | 95 | 58% | 0.584 | 47% | 0.468 | S | S | * | . | P | Polyproline II helix | trans | -79 | 122.4 | 177.7 | -83.6 | 176.7 | -12.9 | 0 | 0 | 112.4 | ||
| 1302 | S | 55.5 | Low | 59.2 | Low | 17 Ų | 17 | 92.7 Ų | 92.7 | 12% | 0.119 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 132.6 | 165 | -160.8 | 0 | 0 | 0 | 0 | 109 | E1306 | S1302-E1306 WeakPolarHBondContact OG-CB 3.38Å; S1302-E1306 PolarHBondContact OG-O 3.47Å |
| 1303 | R | 64.1 | Low | 60.1 | Low | 173 Ų | 173 | 90.8 Ų | 90.8 | 65% | 0.653 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 157.2 | 179.8 | -66.2 | -179.4 | 175.8 | 179.9 | -1.2 | 110.3 | G1305 E1306 | R1303-G1305 PolarHBondContact O-N 2.72Å; R1303-E1306 HydrophobicContact CB-CB 4.38Å; R1303-E1306 WeakPolarHBondContact CB-OE2 3.2Å; R1303-E1306 PolarHBondContact N-OE2 3.27Å; R1303-E1306 VanDerWaalsContact N-OE2 3.1Å; R1303-E1306 VanDerWaalsContact O-CB 3.24Å; R1303-E1306 WeakPolarHBondContact O-CB 3.27Å; R1303-E1306 PolarHBondContact O-N 3.21Å |
| 1304 | A | 61.2 | Low | 60.6 | Low | 93 Ų | 93 | 91.8 Ų | 91.8 | 77% | 0.769 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | 132.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | E1306 | A1304-E1306 VanDerWaalsContact C-N 3.33Š|
| 1305 | G | 65.3 | Low | 61.2 | Low | 23 Ų | 23 | 86.9 Ų | 86.9 | 24% | 0.237 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 2.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R1255 N1256 V1257 R1303 | R1255-G1305 CarbonylContact C-O 3.55Å; N1256-G1305 WeakPolarHBondContact CA-O 3.49Å; N1256-G1305 PolarHBondContact N-O 2.79Å; V1257-G1305 PolarHBondContact N-O 2.78Å; R1303-G1305 PolarHBondContact O-N 2.72Å |
| 1306 | E | 71.5 | Confident | 61.4 | Low | 4 Ų | 4 | 88.7 Ų | 88.7 | 2% | 0.019 | 42% | 0.419 | C | S | . | . | trans | -104.8 | 127.9 | -178.9 | -171 | -173.4 | 174.3 | 0 | 0 | 112.3 | Q1253 H1254 S1302 R1303 A1304 R1308 P1326 | Q1253-E1306 HydrophobicContact CG-CG 4.28Å; Q1253-E1306 PolarHBondContact NE2-OE1 3.35Å; H1254-E1306 CarbonylContact O-C 3.54Å; H1254-E1306 WeakPolarHBondContact O-CA 3.44Å; S1302-E1306 WeakPolarHBondContact OG-CB 3.38Å; S1302-E1306 PolarHBondContact OG-O 3.47Å; R1303-E1306 HydrophobicContact CB-CB 4.38Å; R1303-E1306 WeakPolarHBondContact CB-OE2 3.2Å; R1303-E1306 PolarHBondContact N-OE2 3.27Å; R1303-E1306 VanDerWaalsContact N-OE2 3.1Å; R1303-E1306 VanDerWaalsContact O-CB 3.24Å; R1303-E1306 WeakPolarHBondContact O-CB 3.27Å; R1303-E1306 PolarHBondContact O-N 3.21Å; A1304-E1306 VanDerWaalsContact C-N 3.33Å; E1306-R1308 HydrophobicContact CG-CG 4.46Å; E1306-R1308 IonicContact OE1-CZ 2.66Å; E1306-R1308 VanDerWaalsContact OE1-CZ 3.24Å; E1306-R1308 IonicContact OE1-NE 3.98Å; E1306-R1308 PolarHBondContact OE1-NE 2.82Å; E1306-R1308 IonicContact OE1-NH2 3.17Å; E1306-R1308 PolarHBondContact OE1-NH2 2.8Å; E1306-R1308 IonicContact OE2-NH2 2.67Å; E1306-P1326 WeakPolarHBondContact O-CD 3.49Å | ||
| 1307 | V | 73.8 | Confident | 61.7 | Low | 20 Ų | 20 | 81.6 Ų | 81.6 | 12% | 0.121 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 125.3 | 170.2 | 176.3 | 0 | 0 | 0 | 0 | 109.2 | H1254 V1257 I1309 I1323 Q1324 T1325 | H1254-V1307 PolarHBondContact N-O 2.91Å; H1254-V1307 PolarHBondContact O-N 3.38Å; V1257-V1307 HydrophobicContact CB-CG2 4.22Å; V1257-V1307 HydrophobicContact CG1-CG2 4.41Å; V1257-V1307 HydrophobicContact CG2-CB 4Å; V1257-V1307 HydrophobicContact CG2-CG2 3.7Å; V1307-I1309 HydrophobicContact CG1-CG1 4.23Å; V1307-I1323 HydrophobicContact CG1-CG2 4.18Å; V1307-Q1324 CarbonylContact C-O 3.47Å; V1307-Q1324 WeakPolarHBondContact CA-O 3.37Å; V1307-T1325 HydrophobicContact CG2-CG2 4.39Å |
| 1308 | R | 77.8 | Confident | 62.4 | Low | 86 Ų | 86 | 78.5 Ų | 78.5 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.5 | 173.3 | -60.7 | 179.6 | -179.6 | 170.8 | 6.1 | 109.9 | I1252 Q1253 E1306 I1323 Q1324 | I1252-R1308 CarbonylContact O-C 3.49Å; I1252-R1308 WeakPolarHBondContact O-CA 3.48Å; Q1253-R1308 HydrophobicContact CG-CG 4.2Å; E1306-R1308 HydrophobicContact CG-CG 4.46Å; E1306-R1308 IonicContact OE1-CZ 2.66Å; E1306-R1308 VanDerWaalsContact OE1-CZ 3.24Å; E1306-R1308 IonicContact OE1-NE 3.98Å; E1306-R1308 PolarHBondContact OE1-NE 2.82Å; E1306-R1308 IonicContact OE1-NH2 3.17Å; E1306-R1308 PolarHBondContact OE1-NH2 2.8Å; E1306-R1308 IonicContact OE2-NH2 2.67Å; R1308-I1323 CarbonylContact O-C 3.6Å; R1308-I1323 WeakPolarHBondContact O-CA 3.34Å; R1308-Q1324 HydrophobicContact CB-CB 4.22Å; R1308-Q1324 PolarHBondContact N-O 3.41Å; R1308-Q1324 PolarHBondContact O-N 2.98Å |
| 1309 | I | 76.7 | Confident | 63.6 | Low | 56 Ų | 56 | 69.1 Ų | 69.1 | 29% | 0.287 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.6 | 174.3 | -54.1 | 171.2 | 0 | 0 | 0 | 106.9 | Q1251 I1252 V1307 V1321 K1322 I1323 | Q1251-I1309 CarbonylContact C-O 3.51Å; Q1251-I1309 VanDerWaalsContact CA-O 3.31Å; Q1251-I1309 WeakPolarHBondContact CA-O 3.27Å; I1252-I1309 HydrophobicContact CB-CB 4.19Å; I1252-I1309 PolarHBondContact N-O 3.41Å; I1252-I1309 PolarHBondContact O-N 3.2Å; V1307-I1309 HydrophobicContact CG1-CG1 4.23Å; I1309-V1321 HydrophobicContact CG2-CG1 3.96Å; I1309-K1322 CarbonylContact C-O 3.57Å; I1309-K1322 WeakPolarHBondContact CA-O 3.44Å; I1309-I1323 HydrophobicContact CG1-CG1 4.29Å; I1309-I1323 HydrophobicContact CG1-CG2 4.29Å; I1309-I1323 HydrophobicContact CG2-CG1 4.24Å |
| 1310 | Q | 77.9 | Confident | 64.8 | Low | 36 Ų | 36 | 62.6 Ų | 62.6 | 17% | 0.168 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 113.3 | 176.2 | 174 | -177.4 | 5.9 | 0 | 0 | 107.9 | I1250 Q1251 I1312 V1321 K1322 | I1250-Q1310 CarbonylContact O-C 3.56Å; I1250-Q1310 VanDerWaalsContact O-CA 3.27Å; I1250-Q1310 WeakPolarHBondContact O-CA 3.31Å; Q1251-Q1310 HydrophobicContact CG-CG 4.35Å; Q1310-I1312 HydrophobicContact CG-CG1 4.32Å; Q1310-V1321 CarbonylContact O-C 3.43Å; Q1310-V1321 VanDerWaalsContact O-CA 3.27Å; Q1310-V1321 WeakPolarHBondContact O-CA 3.2Å; Q1310-K1322 HydrophobicContact CB-CB 4.29Å; Q1310-K1322 PolarHBondContact N-O 3.07Å; Q1310-K1322 PolarHBondContact O-N 3.18Å |
| 1311 | A | 73.9 | Confident | 65.8 | Low | 15 Ų | 15 | 57.3 Ų | 57.3 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 126.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | K1249 I1250 A1319 D1320 V1321 | K1249-A1311 CarbonylContact C-O 3.51Å; K1249-A1311 WeakPolarHBondContact CA-O 3.27Å; I1250-A1311 HydrophobicContact CB-CB 4.3Å; I1250-A1311 PolarHBondContact N-O 3.33Å; I1250-A1311 PolarHBondContact O-N 2.61Å; A1311-A1319 HydrophobicContact CB-CB 4.4Å; A1311-D1320 CarbonylContact C-O 3.55Å; A1311-D1320 VanDerWaalsContact CA-O 3.31Å; A1311-D1320 WeakPolarHBondContact CA-O 3.31Å; A1311-V1321 HydrophobicContact CB-CG2 3.93Å |
| 1312 | I | 72 | Confident | 67.1 | Low | 28 Ų | 28 | 53.7 Ų | 53.7 | 14% | 0.144 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 108.8 | 177.7 | -57.4 | 175 | 0 | 0 | 0 | 107.4 | V1214 Q1310 R1314 A1319 D1320 | V1214-I1312 HydrophobicContact CG2-CG2 4.13Å; Q1310-I1312 HydrophobicContact CG-CG1 4.32Å; I1312-R1314 PolarHBondContact O-N 2.97Å; I1312-A1319 CarbonylContact O-C 3.5Å; I1312-A1319 WeakPolarHBondContact O-CA 3.41Å; I1312-D1320 HydrophobicContact CB-CB 4.45Å; I1312-D1320 PolarHBondContact N-O 2.87Å; I1312-D1320 PolarHBondContact O-N 3.48Å |
| 1313 | M | 64.1 | Low | 68 | Low | 35 Ų | 35 | 54 Ų | 54 | 17% | 0.172 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 123 | 179.3 | -53.1 | -75.9 | -57.4 | 0 | 0 | 110.3 | Y1248 N1315 A1319 I1337 | Y1248-M1313 HydrophobicContact CD2-CG 4.28Å; Y1248-M1313 VanDerWaalsContact O-CG 3.23Å; Y1248-M1313 WeakPolarHBondContact O-CG 3.42Å; Y1248-M1313 PolarHBondContact O-N 2.96Å; M1313-N1315 WeakPolarHBondContact CE-O 3.3Å; M1313-A1319 HydrophobicContact SD-CB 4.32Å; M1313-I1337 HydrophobicContact CE-CD1 3.15Å; M1313-I1337 HydrophobicContact SD-CD1 3.07Å; M1313-I1337 WeakPolarHBondContact SD-CD1 3.41Å |
| 1314 | R | 60.2 | Low | 68.5 | Low | 115 Ų | 115 | 47.1 Ų | 47.1 | 43% | 0.434 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -83 | -38.3 | 171.1 | -78.3 | -170.6 | 171.5 | -167.6 | 7.1 | 112 | I1312 K1318 D1320 N1334 | I1312-R1314 PolarHBondContact O-N 2.97Å; R1314-K1318 HydrophobicContact CB-CB 4.38Å; R1314-K1318 PolarHBondContact N-O 3.21Å; R1314-D1320 WeakPolarHBondContact CD-OD1 3.42Å; R1314-D1320 IonicContact CZ-OD1 2.84Å; R1314-D1320 VanDerWaalsContact CZ-OD1 3.25Å; R1314-D1320 IonicContact CZ-OD2 3.89Å; R1314-D1320 IonicContact NE-OD1 2.7Å; R1314-D1320 PolarHBondContact NE-OD1 2.65Å; R1314-D1320 IonicContact NE-OD2 3.14Å; R1314-D1320 PolarHBondContact NE-OD2 2.96Å; R1314-D1320 IonicContact NH2-OD1 3.31Å; R1314-D1320 PolarHBondContact NH2-OD1 2.7Å; R1314-D1320 IonicContact NH2-OD2 3.59Å; R1314-D1320 PolarHBondContact NH2-OD2 3.01Å; R1314-N1334 WeakPolarHBondContact CD-OD1 3.28Å; R1314-N1334 PolarHBondContact NH1-OD1 2.8Å |
| 1315 | N | 57 | Low | 69 | Low | 76 Ų | 76 | 43.1 Ų | 43.1 | 41% | 0.406 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -155.1 | -166.7 | 174.3 | 63.4 | 11.8 | 0 | 0 | 0 | 109.5 | M1313 D1317 K1318 | M1313-N1315 WeakPolarHBondContact CE-O 3.3Å; N1315-D1317 PolarHBondContact O-N 3.02Å; N1315-D1317 PolarHBondContact OD1-N 2.89Å; N1315-K1318 PolarHBondContact N-O 3.25Å; N1315-K1318 WeakPolarHBondContact OD1-CB 3.34Å; N1315-K1318 PolarHBondContact OD1-N 3.05Å |
| 1316 | E | 51.2 | Low | 69.1 | Low | 174 Ų | 174 | 44.6 Ų | 44.6 | 81% | 0.813 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -64.3 | -17.1 | 179.3 | -61.9 | -163.3 | 151.1 | 0 | 0 | 114.1 | ||
| 1317 | D | 54.9 | Low | 68.9 | Low | 47 Ų | 47 | 50.5 Ų | 50.5 | 25% | 0.251 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -116.8 | -19.9 | -170 | -64.4 | -38.5 | 0 | 0 | 0 | 114.4 | N1315 Y1336 I1337 R1342 | N1315-D1317 PolarHBondContact O-N 3.02Å; N1315-D1317 PolarHBondContact OD1-N 2.89Å; D1317-Y1336 HydrophobicContact CB-CD1 4.26Å; D1317-Y1336 HydrophobicContact CB-CE1 4.12Å; D1317-Y1336 CarbonylContact O-C 3.46Å; D1317-Y1336 VanDerWaalsContact O-CA 3.3Å; D1317-Y1336 WeakPolarHBondContact O-CA 3.4Å; D1317-Y1336 WeakPolarHBondContact O-CD1 3.36Å; D1317-I1337 PolarHBondContact O-N 2.73Å; D1317-R1342 VanDerWaalsContact CG-NH2 3.35Å; D1317-R1342 IonicContact OD1-CZ 2.87Å; D1317-R1342 IonicContact OD1-NE 3.2Å; D1317-R1342 PolarHBondContact OD1-NE 3.49Å; D1317-R1342 IonicContact OD1-NH2 2.88Å; D1317-R1342 PolarHBondContact OD1-NH2 3.29Å; D1317-R1342 IonicContact OD2-NH2 3.36Å |
| 1318 | K | 61.5 | Low | 68.7 | Low | 40 Ų | 40 | 51.8 Ų | 51.8 | 17% | 0.174 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.7 | -170.1 | -60.6 | 179.9 | -179.2 | 178.8 | 0 | 111.6 | R1314 N1315 N1334 V1335 Y1336 | R1314-K1318 HydrophobicContact CB-CB 4.38Å; R1314-K1318 PolarHBondContact N-O 3.21Å; N1315-K1318 PolarHBondContact N-O 3.25Å; N1315-K1318 WeakPolarHBondContact OD1-CB 3.34Å; N1315-K1318 PolarHBondContact OD1-N 3.05Å; K1318-N1334 HydrophobicContact CD-CB 4.4Å; K1318-V1335 CarbonylContact C-O 3.53Å; K1318-V1335 VanDerWaalsContact CA-O 3.28Å; K1318-V1335 WeakPolarHBondContact CA-O 3.29Å; K1318-Y1336 WeakPolarHBondContact CE-OH 3.46Å; K1318-Y1336 HydrophobicContact CG-CD1 4.29Å; K1318-Y1336 HydrophobicContact CG-CE1 4.21Å; K1318-Y1336 PolarHBondContact NZ-OH 2.97Å |
| 1319 | A | 67.4 | Low | 68.4 | Low | 2 Ų | 2 | 47.9 Ų | 47.9 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 148.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A1311 I1312 M1313 V1321 V1335 I1337 | A1311-A1319 HydrophobicContact CB-CB 4.4Å; I1312-A1319 CarbonylContact O-C 3.5Å; I1312-A1319 WeakPolarHBondContact O-CA 3.41Å; M1313-A1319 HydrophobicContact SD-CB 4.32Å; A1319-V1321 HydrophobicContact CB-CG2 4.24Å; A1319-V1335 PolarHBondContact N-O 3.19Å; A1319-V1335 WeakPolarHBondContact O-CA 3.36Å; A1319-V1335 WeakPolarHBondContact O-CB 3.45Å; A1319-V1335 PolarHBondContact O-N 3.35Å; A1319-I1337 HydrophobicContact CB-CD1 3.76Å; A1319-I1337 HydrophobicContact CB-CG1 4.01Å |
| 1320 | D | 71.5 | Confident | 68 | Low | 19 Ų | 19 | 45.4 Ų | 45.4 | 10% | 0.102 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 116.3 | 164.8 | -67.6 | -15.2 | 0 | 0 | 0 | 108.8 | A1311 I1312 R1314 M1332 N1333 N1334 | A1311-D1320 CarbonylContact C-O 3.55Å; A1311-D1320 VanDerWaalsContact CA-O 3.31Å; A1311-D1320 WeakPolarHBondContact CA-O 3.31Å; I1312-D1320 HydrophobicContact CB-CB 4.45Å; I1312-D1320 PolarHBondContact N-O 2.87Å; I1312-D1320 PolarHBondContact O-N 3.48Å; R1314-D1320 WeakPolarHBondContact CD-OD1 3.42Å; R1314-D1320 IonicContact CZ-OD1 2.84Å; R1314-D1320 VanDerWaalsContact CZ-OD1 3.25Å; R1314-D1320 IonicContact CZ-OD2 3.89Å; R1314-D1320 IonicContact NE-OD1 2.7Å; R1314-D1320 PolarHBondContact NE-OD1 2.65Å; R1314-D1320 IonicContact NE-OD2 3.14Å; R1314-D1320 PolarHBondContact NE-OD2 2.96Å; R1314-D1320 IonicContact NH2-OD1 3.31Å; R1314-D1320 PolarHBondContact NH2-OD1 2.7Å; R1314-D1320 IonicContact NH2-OD2 3.59Å; R1314-D1320 PolarHBondContact NH2-OD2 3.01Å; D1320-M1332 CarbonylContact C-O 3.44Å; D1320-M1332 WeakPolarHBondContact CA-O 3.38Å; D1320-N1333 VanDerWaalsContact OD1-CA 3.22Å; D1320-N1333 WeakPolarHBondContact OD1-CA 3.34Å; D1320-N1333 WeakPolarHBondContact OD1-CB 3.27Å; D1320-N1334 PolarHBondContact OD1-N 2.78Å |
| 1321 | V | 72.5 | Confident | 67.6 | Low | 19 Ų | 19 | 46.9 Ų | 46.9 | 12% | 0.115 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.7 | -173.4 | -175.3 | 0 | 0 | 0 | 0 | 110.5 | I1309 Q1310 A1311 A1319 I1323 M1332 V1335 | I1309-V1321 HydrophobicContact CG2-CG1 3.96Å; Q1310-V1321 CarbonylContact O-C 3.43Å; Q1310-V1321 VanDerWaalsContact O-CA 3.27Å; Q1310-V1321 WeakPolarHBondContact O-CA 3.2Å; A1311-V1321 HydrophobicContact CB-CG2 3.93Å; A1319-V1321 HydrophobicContact CB-CG2 4.24Å; V1321-I1323 HydrophobicContact CG1-CG1 4.1Å; V1321-M1332 HydrophobicContact CB-CB 4.37Å; V1321-M1332 HydrophobicContact CB-CE 3.65Å; V1321-M1332 HydrophobicContact CG1-CE 3.48Å; V1321-M1332 VanDerWaalsContact CG1-CE 3.48Å; V1321-M1332 PolarHBondContact N-O 2.95Å; V1321-M1332 PolarHBondContact O-N 3.42Å; V1321-V1335 HydrophobicContact CB-CG2 4.01Å; V1321-V1335 HydrophobicContact CG2-CB 3.84Å; V1321-V1335 HydrophobicContact CG2-CG1 4.14Å; V1321-V1335 HydrophobicContact CG2-CG2 3.7Å |
| 1322 | K | 79 | Confident | 67.3 | Low | 50 Ų | 50 | 46.5 Ų | 46.5 | 22% | 0.217 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.5 | 173.6 | 178.5 | -177.9 | -177 | -175.9 | 0 | 109.9 | I1309 Q1310 Q1324 T1329 I1330 R1331 | I1309-K1322 CarbonylContact C-O 3.57Å; I1309-K1322 WeakPolarHBondContact CA-O 3.44Å; Q1310-K1322 HydrophobicContact CB-CB 4.29Å; Q1310-K1322 PolarHBondContact N-O 3.07Å; Q1310-K1322 PolarHBondContact O-N 3.18Å; K1322-Q1324 HydrophobicContact CG-CG 4.34Å; K1322-T1329 HydrophobicContact CG-CG2 4.34Å; K1322-I1330 CarbonylContact C-O 3.45Å; K1322-I1330 WeakPolarHBondContact CA-O 3.38Å; K1322-R1331 HydrophobicContact CG-CG 4.28Å |
| 1323 | I | 74.3 | Confident | 67 | Low | 24 Ų | 24 | 47.4 Ų | 47.4 | 12% | 0.123 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.6 | 175.2 | -53.7 | 177.1 | 0 | 0 | 0 | 108.8 | I1269 V1307 R1308 I1309 V1321 T1325 T1329 I1330 M1332 | I1269-I1323 HydrophobicContact CD1-CD1 4.29Å; V1307-I1323 HydrophobicContact CG1-CG2 4.18Å; R1308-I1323 CarbonylContact O-C 3.6Å; R1308-I1323 WeakPolarHBondContact O-CA 3.34Å; I1309-I1323 HydrophobicContact CG1-CG1 4.29Å; I1309-I1323 HydrophobicContact CG1-CG2 4.29Å; I1309-I1323 HydrophobicContact CG2-CG1 4.24Å; V1321-I1323 HydrophobicContact CG1-CG1 4.1Å; I1323-T1325 HydrophobicContact CG2-CG2 4.22Å; I1323-T1329 CarbonylContact O-C 3.52Å; I1323-T1329 WeakPolarHBondContact O-CA 3.27Å; I1323-I1330 HydrophobicContact CB-CB 4.27Å; I1323-I1330 HydrophobicContact CB-CD1 4.45Å; I1323-I1330 PolarHBondContact N-O 3.37Å; I1323-I1330 PolarHBondContact O-N 2.97Å; I1323-M1332 HydrophobicContact CD1-CE 3.53Å; I1323-M1332 HydrophobicContact CG1-CE 4.01Å |
| 1324 | Q | 74.9 | Confident | 66.9 | Low | 28 Ų | 28 | 48.8 Ų | 48.8 | 13% | 0.131 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 118.2 | 172.6 | -59.2 | 178.1 | -50.4 | 0 | 0 | 109 | V1307 R1308 K1322 T1329 | V1307-Q1324 CarbonylContact C-O 3.47Å; V1307-Q1324 WeakPolarHBondContact CA-O 3.37Å; R1308-Q1324 HydrophobicContact CB-CB 4.22Å; R1308-Q1324 PolarHBondContact N-O 3.41Å; R1308-Q1324 PolarHBondContact O-N 2.98Å; K1322-Q1324 HydrophobicContact CG-CG 4.34Å; Q1324-T1329 HydrophobicContact CG-CG2 4.1Å |
| 1325 | T | 72.1 | Confident | 67.1 | Low | 8 Ų | 8 | 43.7 Ų | 43.7 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | trans | -105.8 | 171.3 | 170 | 68.9 | 0 | 0 | 0 | 0 | 109.4 | V1307 I1323 R1327 K1328 | V1307-T1325 HydrophobicContact CG2-CG2 4.39Å; I1323-T1325 HydrophobicContact CG2-CG2 4.22Å; T1325-R1327 PolarHBondContact O-N 3.45Å; T1325-R1327 PolarHBondContact OG1-N 2.7Å; T1325-K1328 PolarHBondContact N-O 3.49Å; T1325-K1328 PolarHBondContact OG1-N 3.14Å; T1325-K1328 PolarHBondContact OG1-O 3.31Å | ||
| 1326 | P | 67.1 | Low | 67.2 | Low | 54 Ų | 54 | 44.2 Ų | 44.2 | 35% | 0.351 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -61.3 | -21.7 | 172.4 | -23.6 | 35.5 | 0 | 0 | 0 | 113.8 | E1306 | E1306-P1326 WeakPolarHBondContact O-CD 3.49Š|
| 1327 | R | 67.2 | Low | 67.3 | Low | 128 Ų | 128 | 37.4 Ų | 37.4 | 48% | 0.483 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -105.3 | -31.2 | -174.7 | -66.3 | -177.7 | 175.6 | 161 | 2.6 | 114.3 | E1259 D1263 T1325 | E1259-R1327 IonicContact OE1-NH2 2.75Å; D1263-R1327 IonicContact OD1-NH1 2.99Å; T1325-R1327 PolarHBondContact O-N 3.45Å; T1325-R1327 PolarHBondContact OG1-N 2.7Å |
| 1328 | K | 69.9 | Low | 67 | Low | 47 Ų | 47 | 39.2 Ų | 39.2 | 20% | 0.204 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 148.7 | -168.9 | -65.5 | 174.1 | -176.5 | 152.6 | 0 | 112 | E1266 I1282 N1284 T1325 | E1266-K1328 WeakPolarHBondContact OE1-CD 3.42Å; E1266-K1328 WeakPolarHBondContact OE1-CE 3.47Å; E1266-K1328 IonicContact OE1-NZ 3.91Å; E1266-K1328 PolarHBondContact OE1-NZ 2.62Å; E1266-K1328 IonicContact OE2-NZ 3.33Å; E1266-K1328 PolarHBondContact OE2-NZ 2.74Å; I1282-K1328 HydrophobicContact CG2-CD 4.45Å; N1284-K1328 WeakPolarHBondContact OD1-CE 3.5Å; T1325-K1328 PolarHBondContact N-O 3.49Å; T1325-K1328 PolarHBondContact OG1-N 3.14Å; T1325-K1328 PolarHBondContact OG1-O 3.31Å |
| 1329 | T | 71.1 | Confident | 66 | Low | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.025 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.4 | 164.2 | -57.1 | 0 | 0 | 0 | 0 | 108 | E1283 K1322 I1323 Q1324 R1331 | E1283-T1329 PolarHBondContact N-O 3.22Å; E1283-T1329 PolarHBondContact O-N 3.17Å; K1322-T1329 HydrophobicContact CG-CG2 4.34Å; I1323-T1329 CarbonylContact O-C 3.52Å; I1323-T1329 WeakPolarHBondContact O-CA 3.27Å; Q1324-T1329 HydrophobicContact CG-CG2 4.1Å; T1329-R1331 HydrophobicContact CG2-CG 4.48Å |
| 1330 | I | 68.4 | Low | 64.4 | Low | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.8 | 178.9 | -59.2 | 145.6 | 0 | 0 | 0 | 106.9 | I1269 T1280 K1322 I1323 M1332 | I1269-I1330 HydrophobicContact CB-CD1 4.39Å; I1269-I1330 HydrophobicContact CD1-CD1 3.32Å; I1269-I1330 HydrophobicContact CG1-CD1 4.13Å; I1269-I1330 HydrophobicContact CG2-CD1 3.78Å; I1269-I1330 HydrophobicContact CG2-CG1 4.23Å; I1269-I1330 HydrophobicContact CG2-CG2 4.19Å; T1280-I1330 HydrophobicContact CG2-CG2 3.75Å; K1322-I1330 CarbonylContact C-O 3.45Å; K1322-I1330 WeakPolarHBondContact CA-O 3.38Å; I1323-I1330 HydrophobicContact CB-CB 4.27Å; I1323-I1330 HydrophobicContact CB-CD1 4.45Å; I1323-I1330 PolarHBondContact N-O 3.37Å; I1323-I1330 PolarHBondContact O-N 2.97Å; I1330-M1332 HydrophobicContact CG2-CG 3.99Å; I1330-M1332 HydrophobicContact CG2-SD 4.17Å |
| 1331 | R | 70.4 | Confident | 62.8 | Low | 68 Ų | 68 | 53 Ų | 53 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.1 | 172.6 | -64.9 | -174.6 | 177.5 | 90.7 | -3.6 | 107.9 | T1280 E1281 E1283 K1322 T1329 | T1280-R1331 CarbonylContact C-O 3.24Å; T1280-R1331 VanDerWaalsContact CA-O 3.26Å; T1280-R1331 WeakPolarHBondContact CA-O 3.23Å; E1281-R1331 HydrophobicContact CB-CB 4.28Å; E1281-R1331 PolarHBondContact N-O 3.45Å; E1281-R1331 PolarHBondContact O-N 3.02Å; E1283-R1331 IonicContact OE1-CZ 3.25Å; E1283-R1331 IonicContact OE1-NH1 2.68Å; E1283-R1331 PolarHBondContact OE1-NH1 2.88Å; E1283-R1331 IonicContact OE1-NH2 2.81Å; E1283-R1331 IonicContact OE2-CZ 2.69Å; E1283-R1331 IonicContact OE2-NH1 3.93Å; E1283-R1331 PolarHBondContact OE2-NH1 3.34Å; E1283-R1331 IonicContact OE2-NH2 3.21Å; K1322-R1331 HydrophobicContact CG-CG 4.28Å; T1329-R1331 HydrophobicContact CG2-CG 4.48Å |
| 1332 | M | 66.6 | Low | 61.4 | Low | 7 Ų | 7 | 57.4 Ų | 57.4 | 3% | 0.034 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 112.2 | 177.7 | -63.5 | 168.8 | -49.9 | 0 | 0 | 106.9 | W1278 S1279 T1280 D1320 V1321 I1323 I1330 V1335 | W1278-M1332 HydrophobicContact CB-CB 4.49Å; W1278-M1332 HydrophobicContact CE3-CB 4.05Å; W1278-M1332 HydrophobicContact CE3-CE 4.18Å; W1278-M1332 HydrophobicContact CE3-CG 4Å; W1278-M1332 HydrophobicContact CE3-SD 3.39Å; W1278-M1332 HydrophobicContact CZ3-CE 3.9Å; W1278-M1332 HydrophobicContact CZ3-SD 3.5Å; W1278-M1332 WeakPolarHBondContact CZ3-SD 3.24Å; S1279-M1332 CarbonylContact O-C 3.6Å; S1279-M1332 WeakPolarHBondContact O-CA 3.41Å; T1280-M1332 HydrophobicContact CG2-CG 3.45Å; T1280-M1332 VanDerWaalsContact CG2-CG 3.45Å; T1280-M1332 HydrophobicContact CG2-SD 4.35Å; D1320-M1332 CarbonylContact C-O 3.44Å; D1320-M1332 WeakPolarHBondContact CA-O 3.38Å; V1321-M1332 HydrophobicContact CB-CB 4.37Å; V1321-M1332 HydrophobicContact CB-CE 3.65Å; V1321-M1332 HydrophobicContact CG1-CE 3.48Å; V1321-M1332 VanDerWaalsContact CG1-CE 3.48Å; V1321-M1332 PolarHBondContact N-O 2.95Å; V1321-M1332 PolarHBondContact O-N 3.42Å; I1323-M1332 HydrophobicContact CD1-CE 3.53Å; I1323-M1332 HydrophobicContact CG1-CE 4.01Å; I1330-M1332 HydrophobicContact CG2-CG 3.99Å; I1330-M1332 HydrophobicContact CG2-SD 4.17Å; M1332-V1335 HydrophobicContact CB-CG2 3.36Å |
| 1333 | N | 66 | Low | 59.4 | Low | 47 Ų | 47 | 64 Ų | 64 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 152.1 | 177 | -53.4 | -54.2 | 0 | 0 | 0 | 110.3 | S1279 D1320 V1335 | S1279-N1333 PolarHBondContact O-N 2.58Å; S1279-N1333 WeakPolarHBondContact OG-CB 3.3Å; S1279-N1333 PolarHBondContact OG-O 2.89Å; D1320-N1333 VanDerWaalsContact OD1-CA 3.22Å; D1320-N1333 WeakPolarHBondContact OD1-CA 3.34Å; D1320-N1333 WeakPolarHBondContact OD1-CB 3.27Å; N1333-V1335 VanDerWaalsContact C-N 3.29Å; N1333-V1335 PolarHBondContact O-N 2.69Å |
| 1334 | N | 62.4 | Low | 57.6 | Low | 63 Ų | 63 | 71.7 Ų | 71.7 | 34% | 0.337 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.5 | 33.1 | 179.7 | -82.4 | -14.9 | 0 | 0 | 0 | 115 | R1314 K1318 D1320 Y1336 | R1314-N1334 WeakPolarHBondContact CD-OD1 3.28Å; R1314-N1334 PolarHBondContact NH1-OD1 2.8Å; K1318-N1334 HydrophobicContact CD-CB 4.4Å; D1320-N1334 PolarHBondContact OD1-N 2.78Å; N1334-Y1336 PolarHBondContact O-N 2.94Å; N1334-Y1336 VanDerWaalsContact O-N 3.16Å |
| 1335 | V | 62.7 | Low | 55.4 | Low | 9 Ų | 9 | 74 Ų | 74 | 6% | 0.055 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.8 | 115.5 | 176 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | W1278 K1318 A1319 V1321 M1332 N1333 I1337 | W1278-V1335 HydrophobicContact CB-CG2 4.36Å; W1278-V1335 HydrophobicContact CD2-CB 4.21Å; W1278-V1335 HydrophobicContact CD2-CG1 3.86Å; W1278-V1335 HydrophobicContact CD2-CG2 3.82Å; W1278-V1335 HydrophobicContact CE3-CB 4.25Å; W1278-V1335 HydrophobicContact CE3-CG1 3.81Å; W1278-V1335 HydrophobicContact CE3-CG2 3.56Å; W1278-V1335 HydrophobicContact CG-CG2 4.13Å; W1278-V1335 HydrophobicContact CH2-CG1 3.64Å; W1278-V1335 HydrophobicContact CZ2-CG1 3.69Å; W1278-V1335 HydrophobicContact CZ3-CG1 3.69Å; W1278-V1335 HydrophobicContact CZ3-CG2 4.1Å; K1318-V1335 CarbonylContact C-O 3.53Å; K1318-V1335 VanDerWaalsContact CA-O 3.28Å; K1318-V1335 WeakPolarHBondContact CA-O 3.29Å; A1319-V1335 PolarHBondContact N-O 3.19Å; A1319-V1335 WeakPolarHBondContact O-CA 3.36Å; A1319-V1335 WeakPolarHBondContact O-CB 3.45Å; A1319-V1335 PolarHBondContact O-N 3.35Å; V1321-V1335 HydrophobicContact CB-CG2 4.01Å; V1321-V1335 HydrophobicContact CG2-CB 3.84Å; V1321-V1335 HydrophobicContact CG2-CG1 4.14Å; V1321-V1335 HydrophobicContact CG2-CG2 3.7Å; M1332-V1335 HydrophobicContact CB-CG2 3.36Å; N1333-V1335 VanDerWaalsContact C-N 3.29Å; N1333-V1335 PolarHBondContact O-N 2.69Å; V1335-I1337 PolarHBondContact O-N 3.35Å |
| 1336 | Y | 59.1 | Low | 53.4 | Low | 86 Ų | 86 | 84.3 Ų | 84.3 | 34% | 0.337 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 125.2 | 170.3 | -89.8 | -78.5 | 0 | 0 | 0 | 110.2 | D1317 K1318 N1334 | D1317-Y1336 HydrophobicContact CB-CD1 4.26Å; D1317-Y1336 HydrophobicContact CB-CE1 4.12Å; D1317-Y1336 CarbonylContact O-C 3.46Å; D1317-Y1336 VanDerWaalsContact O-CA 3.3Å; D1317-Y1336 WeakPolarHBondContact O-CA 3.4Å; D1317-Y1336 WeakPolarHBondContact O-CD1 3.36Å; K1318-Y1336 WeakPolarHBondContact CE-OH 3.46Å; K1318-Y1336 HydrophobicContact CG-CD1 4.29Å; K1318-Y1336 HydrophobicContact CG-CE1 4.21Å; K1318-Y1336 PolarHBondContact NZ-OH 2.97Å; N1334-Y1336 PolarHBondContact O-N 2.94Å; N1334-Y1336 VanDerWaalsContact O-N 3.16Å |
| 1337 | I | 55.1 | Low | 51.8 | Low | 31 Ų | 31 | 90 Ų | 90 | 16% | 0.159 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 126.6 | -178.4 | -55.7 | -175.7 | 0 | 0 | 0 | 108.2 | M1313 D1317 A1319 V1335 T1339 L1341 | M1313-I1337 HydrophobicContact CE-CD1 3.15Å; M1313-I1337 HydrophobicContact SD-CD1 3.07Å; M1313-I1337 WeakPolarHBondContact SD-CD1 3.41Å; D1317-I1337 PolarHBondContact O-N 2.73Å; A1319-I1337 HydrophobicContact CB-CD1 3.76Å; A1319-I1337 HydrophobicContact CB-CG1 4.01Å; V1335-I1337 PolarHBondContact O-N 3.35Å; I1337-T1339 PolarHBondContact O-N 2.93Å; I1337-L1341 HydrophobicContact CG2-CB 3.74Å; I1337-L1341 HydrophobicContact CG2-CD1 3.42Å; I1337-L1341 VanDerWaalsContact CG2-CD1 3.42Å; I1337-L1341 HydrophobicContact CG2-CG 4.16Å |
| 1338 | P | 47 | Very low | 50.3 | Low | 86 Ų | 86 | 95.3 Ų | 95.3 | 56% | 0.558 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -50.6 | 138.5 | 178.8 | -26.7 | 33.2 | 0 | 0 | 0 | 111.6 | L1340 L1341 | P1338-L1340 HydrophobicContact CB-CB 4.41Å; P1338-L1340 PolarHBondContact O-N 2.91Å; P1338-L1341 PolarHBondContact O-N 2.77Å |
| 1339 | T | 40.6 | Very low | 48.8 | Very low | 81 Ų | 81 | 96.1 Ų | 96.1 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -51.1 | -14.7 | 176.5 | 38.8 | 0 | 0 | 0 | 0 | 114.4 | I1337 L1341 R1342 T1345 | I1337-T1339 PolarHBondContact O-N 2.93Å; T1339-L1341 PolarHBondContact O-N 2.67Å; T1339-R1342 PolarHBondContact O-N 2.96Å; T1339-T1345 PolarHBondContact O-OG1 3.32Å |
| 1340 | L | 33.4 | Very low | 47.1 | Very low | 138 Ų | 138 | 102.3 Ų | 102.3 | 72% | 0.723 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -61.2 | -23 | 170.3 | -118.9 | 113.8 | 0 | 0 | 0 | 114.6 | P1338 | P1338-L1340 HydrophobicContact CB-CB 4.41Å; P1338-L1340 PolarHBondContact O-N 2.91Å |
| 1341 | L | 39.5 | Very low | 45.6 | Very low | 132 Ų | 132 | 108.1 Ų | 108.1 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -102.6 | -3.3 | 178.7 | -70.4 | 167.6 | 0 | 0 | 0 | 113.3 | I1337 P1338 T1339 | I1337-L1341 HydrophobicContact CG2-CB 3.74Å; I1337-L1341 HydrophobicContact CG2-CD1 3.42Å; I1337-L1341 VanDerWaalsContact CG2-CD1 3.42Å; I1337-L1341 HydrophobicContact CG2-CG 4.16Å; P1338-L1341 PolarHBondContact O-N 2.77Å; T1339-L1341 PolarHBondContact O-N 2.67Å |
| 1342 | R | 42.8 | Very low | 43.9 | Very low | 110 Ų | 110 | 108.1 Ų | 108.1 | 42% | 0.415 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -72 | 135 | 174 | -74.8 | -174.2 | 174 | 164.9 | -2.1 | 110.1 | D1317 T1339 E1344 T1345 | D1317-R1342 VanDerWaalsContact CG-NH2 3.35Å; D1317-R1342 IonicContact OD1-CZ 2.87Å; D1317-R1342 IonicContact OD1-NE 3.2Å; D1317-R1342 PolarHBondContact OD1-NE 3.49Å; D1317-R1342 IonicContact OD1-NH2 2.88Å; D1317-R1342 PolarHBondContact OD1-NH2 3.29Å; D1317-R1342 IonicContact OD2-NH2 3.36Å; T1339-R1342 PolarHBondContact O-N 2.96Å; R1342-E1344 PolarHBondContact O-N 3.36Å; R1342-T1345 PolarHBondContact O-OG1 3.03Å |
| 1343 | K | 37.7 | Very low | 42.7 | Very low | 189 Ų | 189 | 115.8 Ų | 115.8 | 82% | 0.822 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -2.3 | -173.4 | -124.6 | 173.9 | -179.2 | 175.1 | 0 | 114.9 | ||
| 1344 | E | 35.1 | Very low | 41.3 | Very low | 185 Ų | 185 | 118.2 Ų | 118.2 | 86% | 0.864 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.7 | -4.8 | -168.1 | -72.4 | 171.5 | 158.2 | 0 | 0 | 115 | R1342 | R1342-E1344 PolarHBondContact O-N 3.36Š|
| 1345 | T | 29.4 | Very low | 40 | Very low | 78 Ų | 78 | 118 Ų | 118 | 48% | 0.479 | 55% | 0.549 | S | S | . | . | trans | -96.2 | 5.3 | -168.6 | 7.9 | 0 | 0 | 0 | 0 | 116.2 | T1339 R1342 R1347 | T1339-T1345 PolarHBondContact O-OG1 3.32Å; R1342-T1345 PolarHBondContact O-OG1 3.03Å; T1345-R1347 PolarHBondContact O-N 3.46Å | ||
| 1346 | Y | 30.2 | Very low | 38.9 | Very low | 224 Ų | 224 | 122.8 Ų | 122.8 | 88% | 0.878 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 14.9 | -175.8 | -107.8 | -89.1 | 0 | 0 | 0 | 116.3 | ||
| 1347 | R | 34.2 | Very low | 37.9 | Very low | 174 Ų | 174 | 125.6 Ų | 125.6 | 66% | 0.657 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | -1.3 | -171.6 | -94.7 | -173.5 | 172.8 | -167.1 | -3.4 | 117.9 | T1345 | T1345-R1347 PolarHBondContact O-N 3.46Š|
| 1348 | R | 34.8 | Very low | 37 | Very low | 239 Ų | 239 | 131.4 Ų | 131.4 | 90% | 0.902 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -94.1 | 114.5 | 169.9 | -78.4 | -174.5 | 172.6 | 177.8 | -0.5 | 110.5 | ||
| 1349 | S | 38.5 | Very low | 36.6 | Very low | 63 Ų | 63 | 130.7 Ų | 130.7 | 44% | 0.441 | 61% | 0.605 | S | S | . | * | trans | -63.1 | 140.1 | -172.4 | 80.6 | 0 | 0 | 0 | 0 | 113.1 | F1351 M1352 | S1349-F1351 PolarHBondContact O-N 2.64Å; S1349-F1351 WeakPolarHBondContact OG-CB 3.26Å; S1349-M1352 PolarHBondContact O-N 2.95Å; S1349-M1352 PolarHBondContact OG-N 3.04Å | ||
| 1350 | N | 35.4 | Very low | 36.4 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 72% | 0.717 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -55 | -20.4 | 170.7 | -74.5 | -30.8 | 0 | 0 | 0 | 112.9 | R1353 L1354 | N1350-R1353 PolarHBondContact O-N 3.18Å; N1350-L1354 WeakPolarHBondContact O-CB 3.4Å; N1350-L1354 PolarHBondContact O-N 3.34Å |
| 1351 | F | 36.2 | Very low | 36.5 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 56% | 0.557 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66 | -38.3 | 173 | -177 | -99.6 | 0 | 0 | 0 | 112.5 | S1349 L1354 M1355 | S1349-F1351 PolarHBondContact O-N 2.64Å; S1349-F1351 WeakPolarHBondContact OG-CB 3.26Å; F1351-L1354 PolarHBondContact O-N 3.38Å; F1351-M1355 HydrophobicContact CD1-CG 4.13Å; F1351-M1355 HydrophobicContact CE1-CG 3.82Å; F1351-M1355 HydrophobicContact CE2-CG 4.36Å; F1351-M1355 HydrophobicContact CZ-CG 3.95Å; F1351-M1355 HydrophobicContact CZ-SD 4.24Å; F1351-M1355 WeakPolarHBondContact O-CB 3.19Å; F1351-M1355 VanDerWaalsContact O-CG 3.24Å; F1351-M1355 WeakPolarHBondContact O-CG 3.28Å; F1351-M1355 PolarHBondContact O-N 3Å |
| 1352 | M | 35.9 | Very low | 36.2 | Very low | 68 Ų | 68 | 130.4 Ų | 130.4 | 34% | 0.335 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.4 | -33.2 | 175.8 | -71.4 | -64 | -82.2 | 0 | 0 | 112.2 | E741 S1349 N1356 | E741-M1352 HydrophobicContact CG-CE 4.35Å; S1349-M1352 PolarHBondContact O-N 2.95Å; S1349-M1352 PolarHBondContact OG-N 3.04Å; M1352-N1356 WeakPolarHBondContact O-CB 2.98Å; M1352-N1356 PolarHBondContact O-N 3.01Å; M1352-N1356 PolarHBondContact O-ND2 3.2Å |
| 1353 | R | 40.2 | Very low | 36.3 | Very low | 168 Ų | 168 | 130.3 Ų | 130.3 | 63% | 0.634 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68 | -40.8 | 171.7 | -117.5 | 174.6 | 81.8 | 173 | 5.2 | 111.7 | N1350 N1356 L1357 | N1350-R1353 PolarHBondContact O-N 3.18Å; R1353-N1356 PolarHBondContact O-N 2.88Å; R1353-L1357 WeakPolarHBondContact O-CB 3.44Å; R1353-L1357 PolarHBondContact O-N 2.87Å |
| 1354 | L | 37.7 | Very low | 36.8 | Very low | 98 Ų | 98 | 125 Ų | 125 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.6 | -42.1 | 175 | -171.6 | 71.5 | 0 | 0 | 0 | 111.5 | N1350 F1351 L1357 Y1358 | N1350-L1354 WeakPolarHBondContact O-CB 3.4Å; N1350-L1354 PolarHBondContact O-N 3.34Å; F1351-L1354 PolarHBondContact O-N 3.38Å; L1354-L1357 PolarHBondContact O-N 3.39Å; L1354-Y1358 HydrophobicContact CD1-CD2 4.31Å; L1354-Y1358 HydrophobicContact CD1-CE2 4.48Å; L1354-Y1358 HydrophobicContact CG-CD2 4.47Å; L1354-Y1358 WeakPolarHBondContact O-CB 3.46Å; L1354-Y1358 PolarHBondContact O-N 3.06Å |
| 1355 | M | 33.8 | Very low | 37.8 | Very low | 59 Ų | 59 | 118.8 Ų | 118.8 | 29% | 0.291 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.6 | -37.4 | 174.7 | -72.3 | -63.3 | -74.8 | 0 | 0 | 111.7 | F1351 L1357 Y1358 M1359 | F1351-M1355 HydrophobicContact CD1-CG 4.13Å; F1351-M1355 HydrophobicContact CE1-CG 3.82Å; F1351-M1355 HydrophobicContact CE2-CG 4.36Å; F1351-M1355 HydrophobicContact CZ-CG 3.95Å; F1351-M1355 HydrophobicContact CZ-SD 4.24Å; F1351-M1355 WeakPolarHBondContact O-CB 3.19Å; F1351-M1355 VanDerWaalsContact O-CG 3.24Å; F1351-M1355 WeakPolarHBondContact O-CG 3.28Å; F1351-M1355 PolarHBondContact O-N 3Å; M1355-L1357 VanDerWaalsContact C-N 3.33Å; M1355-L1357 PolarHBondContact O-N 2.87Å; M1355-Y1358 PolarHBondContact O-N 3.32Å; M1355-M1359 HydrophobicContact CB-CG 4.48Å; M1355-M1359 HydrophobicContact CE-CE 3.54Å; M1355-M1359 HydrophobicContact CE-CG 3.78Å; M1355-M1359 HydrophobicContact CE-SD 3.5Å; M1355-M1359 WeakPolarHBondContact CE-SD 3.37Å; M1355-M1359 WeakPolarHBondContact O-CA 3.49Å; M1355-M1359 WeakPolarHBondContact O-CB 3.42Å; M1355-M1359 WeakPolarHBondContact O-CG 3.48Å; M1355-M1359 PolarHBondContact O-N 3.48Å; M1355-M1359 HydrophobicContact SD-CG 4.5Å |
| 1356 | N | 39.8 | Very low | 39.9 | Very low | 109 Ų | 109 | 115.5 Ų | 115.5 | 58% | 0.583 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.8 | -35.1 | 172.9 | -74.8 | -12.2 | 0 | 0 | 0 | 112.4 | M1352 R1353 | M1352-N1356 WeakPolarHBondContact O-CB 2.98Å; M1352-N1356 PolarHBondContact O-N 3.01Å; M1352-N1356 PolarHBondContact O-ND2 3.2Å; R1353-N1356 PolarHBondContact O-N 2.88Å |
| 1357 | L | 39.3 | Very low | 42.6 | Very low | 144 Ų | 144 | 107.3 Ų | 107.3 | 75% | 0.754 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.3 | -35.7 | 172.8 | -108.1 | 126 | 0 | 0 | 0 | 112.9 | R1353 L1354 M1355 | R1353-L1357 WeakPolarHBondContact O-CB 3.44Å; R1353-L1357 PolarHBondContact O-N 2.87Å; L1354-L1357 PolarHBondContact O-N 3.39Å; M1355-L1357 VanDerWaalsContact C-N 3.33Å; M1355-L1357 PolarHBondContact O-N 2.87Å |
| 1358 | Y | 36.1 | Very low | 45.4 | Very low | 154 Ų | 154 | 99 Ų | 99 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -89.8 | -24.1 | -179.3 | -102 | -93.5 | 0 | 0 | 0 | 114.4 | M1059 L1354 M1355 | M1059-Y1358 VanDerWaalsContact CE-OH 3.31Å; M1059-Y1358 WeakPolarHBondContact CE-OH 3.09Å; L1354-Y1358 HydrophobicContact CD1-CD2 4.31Å; L1354-Y1358 HydrophobicContact CD1-CE2 4.48Å; L1354-Y1358 HydrophobicContact CG-CD2 4.47Å; L1354-Y1358 WeakPolarHBondContact O-CB 3.46Å; L1354-Y1358 PolarHBondContact O-N 3.06Å; M1355-Y1358 PolarHBondContact O-N 3.32Å |
| 1359 | M | 37.1 | Very low | 48.2 | Very low | 70 Ų | 70 | 91 Ų | 91 | 35% | 0.345 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 12.8 | -175.3 | -62 | -128.8 | -78.6 | 0 | 0 | 114.1 | L1084 M1355 N1361 | L1084-M1359 WeakPolarHBondContact CD1-O 3.33Å; L1084-M1359 HydrophobicContact CD2-CB 3.84Å; L1084-M1359 HydrophobicContact CD2-CG 4.07Å; L1084-M1359 HydrophobicContact CD2-SD 3.65Å; M1355-M1359 HydrophobicContact CB-CG 4.48Å; M1355-M1359 HydrophobicContact CE-CE 3.54Å; M1355-M1359 HydrophobicContact CE-CG 3.78Å; M1355-M1359 HydrophobicContact CE-SD 3.5Å; M1355-M1359 WeakPolarHBondContact CE-SD 3.37Å; M1355-M1359 WeakPolarHBondContact O-CA 3.49Å; M1355-M1359 WeakPolarHBondContact O-CB 3.42Å; M1355-M1359 WeakPolarHBondContact O-CG 3.48Å; M1355-M1359 PolarHBondContact O-N 3.48Å; M1355-M1359 HydrophobicContact SD-CG 4.5Å; M1359-N1361 PolarHBondContact O-N 2.81Å; M1359-N1361 VanDerWaalsContact O-N 3.13Å |
| 1360 | G | 36.5 | Very low | 50.8 | Low | 39 Ų | 39 | 88.1 Ų | 88.1 | 40% | 0.402 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 24.1 | 152.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | K1362 | G1360-K1362 PolarHBondContact O-N 3.42Š|
| 1361 | N | 35.5 | Very low | 53.2 | Low | 161 Ų | 161 | 88.9 Ų | 88.9 | 86% | 0.861 | 44% | 0.438 | S | S | * | . | trans | -70.4 | 77.4 | 168.7 | -96.2 | -4 | 0 | 0 | 0 | 110.4 | M1359 H1363 | M1359-N1361 PolarHBondContact O-N 2.81Å; M1359-N1361 VanDerWaalsContact O-N 3.13Å; N1361-H1363 PolarHBondContact O-N 3.47Å | ||
| 1362 | K | 33.7 | Very low | 55.4 | Low | 145 Ų | 145 | 90.2 Ų | 90.2 | 63% | 0.63 | 45% | 0.447 | S | S | * | . | trans | -68.4 | 112.9 | 164.1 | -83.8 | -174.6 | 176.1 | -177.6 | 0 | 109.1 | G1360 | G1360-K1362 PolarHBondContact O-N 3.42Š| ||
| 1363 | H | 44.7 | Very low | 57.6 | Low | 108 Ų | 108 | 90.7 Ų | 90.7 | 50% | 0.5 | 45% | 0.45 | S | S | . | . | trans | 74 | 81.7 | 160 | -39.1 | -63.6 | 0 | 0 | 0 | 118 | N1361 K1365 | N1361-H1363 PolarHBondContact O-N 3.47Å; H1363-K1365 PolarHBondContact O-N 2.8Å | ||
| 1364 | A | 48 | Very low | 59.9 | Low | 77 Ų | 77 | 84.2 Ų | 84.2 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 119.3 | 144.7 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||
| 1365 | K | 57.3 | Low | 62.3 | Low | 55 Ų | 55 | 79.5 Ų | 79.5 | 24% | 0.239 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 128.4 | 172.3 | -66.6 | -172.3 | 175.6 | -178.3 | 0 | 107.7 | H1363 T1367 N1476 D1478 R1489 V1490 | H1363-K1365 PolarHBondContact O-N 2.8Å; K1365-T1367 PolarHBondContact O-N 3.37Å; K1365-T1367 PolarHBondContact O-OG1 2.88Å; K1365-N1476 VanDerWaalsContact CE-OD1 3.29Å; K1365-N1476 WeakPolarHBondContact CE-OD1 3.41Å; K1365-N1476 PolarHBondContact NZ-OD1 2.67Å; K1365-D1478 WeakPolarHBondContact CD-OD1 3.48Å; K1365-D1478 WeakPolarHBondContact CE-OD1 3.18Å; K1365-D1478 IonicContact NZ-OD1 2.75Å; K1365-D1478 PolarHBondContact NZ-OD1 3.22Å; K1365-D1478 IonicContact NZ-OD2 2.7Å; K1365-R1489 HydrophobicContact CB-CB 4.18Å; K1365-R1489 HydrophobicContact CD-CB 4.23Å; K1365-V1490 CarbonylContact C-O 3.48Å; K1365-V1490 WeakPolarHBondContact CA-O 3.49Å; K1365-V1490 WeakPolarHBondContact CB-O 3.37Å |
| 1366 | G | 72.4 | Confident | 64.9 | Low | 10 Ų | 10 | 78.5 Ų | 78.5 | 10% | 0.103 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 130.6 | 170 | 0 | 0 | 0 | 0 | 0 | 109.7 | F1378 R1489 V1490 | G1366-F1378 VanDerWaalsContact C-CD1 3.48Å; G1366-R1489 CarbonylContact O-C 3.54Å; G1366-R1489 VanDerWaalsContact O-CA 3.29Å; G1366-R1489 WeakPolarHBondContact O-CA 3.32Å; G1366-V1490 PolarHBondContact N-O 3.42Å; G1366-V1490 PolarHBondContact O-N 3Å |
| 1367 | T | 87.8 | Confident | 67.3 | Low | 51 Ų | 51 | 73.4 Ų | 73.4 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 124.2 | -175.9 | -56.9 | 0 | 0 | 0 | 0 | 110 | K1365 Q1369 T1487 I1488 R1489 | K1365-T1367 PolarHBondContact O-N 3.37Å; K1365-T1367 PolarHBondContact O-OG1 2.88Å; T1367-Q1369 HydrophobicContact CG2-CG 4.28Å; T1367-T1487 HydrophobicContact CG2-CG2 3.84Å; T1367-I1488 CarbonylContact C-O 3.45Å; T1367-I1488 WeakPolarHBondContact CA-O 3.35Å; T1367-R1489 HydrophobicContact CG2-CG 4.13Å |
| 1368 | C | 93.4 | Very high | 69.5 | Low | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 139.3 | 171.9 | 171.7 | 0 | 0 | 0 | 0 | 109.1 | T1376 F1378 T1487 I1488 C1502 | C1368-T1376 CarbonylContact C-O 3.4Å; C1368-T1376 WeakPolarHBondContact CA-O 3.13Å; C1368-T1376 PolarHBondContact SG-O 2.84Å; C1368-F1378 HydrophobicContact CB-CD1 3.68Å; C1368-F1378 HydrophobicContact CB-CE1 3.49Å; C1368-F1378 VanDerWaalsContact CB-CE1 3.49Å; C1368-F1378 HydrophobicContact CB-CG 4.33Å; C1368-F1378 HydrophobicContact CB-CZ 4Å; C1368-T1487 WeakPolarHBondContact O-CA 3.19Å; C1368-I1488 HydrophobicContact CB-CB 4.37Å; C1368-I1488 PolarHBondContact N-O 3.35Å; C1368-I1488 PolarHBondContact O-N 2.77Å; C1368-C1502 HydrophobicContact CB-CB 3.48Å; C1368-C1502 VanDerWaalsContact CB-CB 3.48Å; C1368-C1502 WeakPolarHBondContact CB-SG 3.42Å; C1368-C1502 VanDerWaalsContact SG-CA 3.53Å; C1368-C1502 WeakPolarHBondContact SG-CB 3.39Å; C1368-C1502 CovalentContact SG-SG 2.03Å; C1368-C1502 PolarHBondContact SG-SG 3.42Å |
| 1369 | Q | 92.4 | Very high | 71.4 | Confident | 72 Ų | 72 | 61.6 Ų | 61.6 | 34% | 0.336 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131.8 | -178.2 | -65.3 | -173.7 | -52.4 | 0 | 0 | 111.1 | T1367 I1375 T1376 E1485 I1486 T1487 | T1367-Q1369 HydrophobicContact CG2-CG 4.28Å; Q1369-I1375 CarbonylContact O-C 3.58Å; Q1369-I1375 WeakPolarHBondContact O-CA 3.18Å; Q1369-T1376 PolarHBondContact N-O 2.71Å; Q1369-T1376 PolarHBondContact O-N 2.88Å; Q1369-E1485 PolarHBondContact NE2-OE1 3.3Å; Q1369-I1486 CarbonylContact C-O 3.49Å; Q1369-I1486 WeakPolarHBondContact CA-O 3.23Å; Q1369-T1487 HydrophobicContact CG-CG2 4.3Å |
| 1370 | I | 92.9 | Very high | 73 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 114.9 | 178.5 | -56.4 | 88.4 | 0 | 0 | 0 | 108.2 | S1374 I1375 F1387 L1394 E1485 I1486 I1488 | I1370-S1374 CarbonylContact C-O 3.55Å; I1370-S1374 WeakPolarHBondContact CA-O 3.48Å; I1370-I1375 HydrophobicContact CB-CG1 4.42Å; I1370-I1375 HydrophobicContact CG1-CD1 4.13Å; I1370-I1375 HydrophobicContact CG1-CG1 3.86Å; I1370-I1375 HydrophobicContact CG1-CG2 4.35Å; I1370-I1375 HydrophobicContact CG2-CG1 4.12Å; I1370-F1387 HydrophobicContact CG2-CE2 3.76Å; I1370-F1387 HydrophobicContact CG2-CZ 3.71Å; I1370-L1394 HydrophobicContact CD1-CD1 3.87Å; I1370-L1394 HydrophobicContact CD1-CD2 4.5Å; I1370-L1394 HydrophobicContact CG1-CD1 4.17Å; I1370-L1394 HydrophobicContact CG1-CD2 4.17Å; I1370-E1485 VanDerWaalsContact O-CA 3.31Å; I1370-E1485 WeakPolarHBondContact O-CA 3.33Å; I1370-I1486 HydrophobicContact CB-CB 4.16Å; I1370-I1486 HydrophobicContact CB-CD1 4.47Å; I1370-I1486 HydrophobicContact CD1-CB 4.13Å; I1370-I1486 HydrophobicContact CD1-CG2 4.38Å; I1370-I1486 WeakPolarHBondContact CD1-O 3.39Å; I1370-I1486 PolarHBondContact N-O 2.74Å; I1370-I1486 PolarHBondContact O-N 3.32Å; I1370-I1488 HydrophobicContact CD1-CD1 3.94Å; I1370-I1488 HydrophobicContact CD1-CG1 4.39Å |
| 1371 | R | 86.7 | Confident | 74.7 | Confident | 150 Ų | 150 | 59.7 Ų | 59.7 | 57% | 0.566 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 116.7 | 177.9 | -72.6 | -178.9 | 170.3 | -150.9 | -16.3 | 109.1 | N1373 S1374 E1485 | R1371-N1373 PolarHBondContact O-N 2.61Å; R1371-S1374 PolarHBondContact N-O 3.03Å; R1371-S1374 WeakPolarHBondContact O-CB 3.31Å; R1371-S1374 PolarHBondContact O-N 3.36Å; R1371-E1485 HydrophobicContact CG-CB 4.19Å; R1371-E1485 HydrophobicContact CG-CG 3.8Å; R1371-E1485 IonicContact CZ-OE1 3.07Å; R1371-E1485 IonicContact CZ-OE2 3.36Å; R1371-E1485 VanDerWaalsContact CZ-OE2 3.28Å; R1371-E1485 IonicContact NE-OE1 2.84Å; R1371-E1485 PolarHBondContact NE-OE1 3.14Å; R1371-E1485 IonicContact NE-OE2 2.8Å; R1371-E1485 PolarHBondContact NE-OE2 2.62Å; R1371-E1485 IonicContact NH2-OE1 3.09Å; R1371-E1485 IonicContact NH2-OE2 2.96Å; R1371-E1485 PolarHBondContact NH2-OE2 3.24Å |
| 1372 | Q | 81.3 | Confident | 76.7 | Confident | 156 Ų | 156 | 56.5 Ų | 56.5 | 73% | 0.729 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | -112.4 | -175 | -62 | 175.7 | -17 | 0 | 0 | 111.1 | K1418 | Q1372-K1418 WeakPolarHBondContact O-CE 3.48Å; Q1372-K1418 PolarHBondContact O-NZ 3.36Å |
| 1373 | N | 83.4 | Confident | 78.9 | Confident | 77 Ų | 77 | 50 Ų | 50 | 41% | 0.412 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 2.8 | 178.4 | -70.3 | -3.7 | 0 | 0 | 0 | 113.1 | R1371 R1384 I1385 | R1371-N1373 PolarHBondContact O-N 2.61Å; N1373-R1384 CarbonylContact O-C 3.58Å; N1373-R1384 WeakPolarHBondContact O-CA 3.5Å; N1373-I1385 VanDerWaalsContact CB-O 3.26Å; N1373-I1385 WeakPolarHBondContact CB-O 3.31Å; N1373-I1385 PolarHBondContact O-N 2.75Å |
| 1374 | S | 87.3 | Confident | 80.6 | Confident | 32 Ų | 32 | 51 Ų | 51 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 136 | -179.7 | -171.6 | 0 | 0 | 0 | 0 | 111.5 | I1370 R1371 Y1383 | I1370-S1374 CarbonylContact C-O 3.55Å; I1370-S1374 WeakPolarHBondContact CA-O 3.48Å; R1371-S1374 PolarHBondContact N-O 3.03Å; R1371-S1374 WeakPolarHBondContact O-CB 3.31Å; R1371-S1374 PolarHBondContact O-N 3.36Å; S1374-Y1383 WeakPolarHBondContact CA-O 2.94Å |
| 1375 | I | 88.9 | Confident | 82 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.4 | 172.8 | -60.8 | -172.8 | 0 | 0 | 0 | 109.1 | Q1369 I1370 I1382 Y1383 I1385 F1387 L1394 M1501 | Q1369-I1375 CarbonylContact O-C 3.58Å; Q1369-I1375 WeakPolarHBondContact O-CA 3.18Å; I1370-I1375 HydrophobicContact CB-CG1 4.42Å; I1370-I1375 HydrophobicContact CG1-CD1 4.13Å; I1370-I1375 HydrophobicContact CG1-CG1 3.86Å; I1370-I1375 HydrophobicContact CG1-CG2 4.35Å; I1370-I1375 HydrophobicContact CG2-CG1 4.12Å; I1375-I1382 VanDerWaalsContact O-CA 3.29Å; I1375-I1382 WeakPolarHBondContact O-CA 3.36Å; I1375-Y1383 HydrophobicContact CB-CE1 4.07Å; I1375-Y1383 HydrophobicContact CB-CE2 4.01Å; I1375-Y1383 WeakPolarHBondContact CB-OH 3.38Å; I1375-Y1383 HydrophobicContact CD1-CE2 4.27Å; I1375-Y1383 WeakPolarHBondContact CD1-OH 3.38Å; I1375-Y1383 HydrophobicContact CG1-CE2 4.41Å; I1375-Y1383 HydrophobicContact CG2-CE1 4.08Å; I1375-Y1383 VanDerWaalsContact CG2-OH 3.28Å; I1375-Y1383 WeakPolarHBondContact CG2-OH 3.39Å; I1375-Y1383 PolarHBondContact N-O 3.23Å; I1375-Y1383 PolarHBondContact O-N 2.97Å; I1375-I1385 HydrophobicContact CD1-CD1 3.46Å; I1375-I1385 VanDerWaalsContact CD1-CD1 3.46Å; I1375-I1385 HydrophobicContact CD1-CG1 3.85Å; I1375-I1385 HydrophobicContact CG1-CD1 4.34Å; I1375-I1385 HydrophobicContact CG1-CG1 4.23Å; I1375-F1387 HydrophobicContact CD1-CZ 4.15Å; I1375-L1394 HydrophobicContact CD1-CD2 4.02Å; I1375-M1501 HydrophobicContact CD1-CB 3.56Å; I1375-M1501 HydrophobicContact CD1-CG 4.26Å |
| 1376 | T | 89.5 | Confident | 83 | Confident | 38 Ų | 38 | 47.6 Ų | 47.6 | 23% | 0.233 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116.5 | 163.4 | -52.7 | 0 | 0 | 0 | 0 | 107.9 | C1368 Q1369 A1381 I1382 | C1368-T1376 CarbonylContact C-O 3.4Å; C1368-T1376 WeakPolarHBondContact CA-O 3.13Å; C1368-T1376 PolarHBondContact SG-O 2.84Å; Q1369-T1376 PolarHBondContact N-O 2.71Å; Q1369-T1376 PolarHBondContact O-N 2.88Å; T1376-A1381 CarbonylContact C-O 3.12Å; T1376-A1381 VanDerWaalsContact CA-O 3.29Å; T1376-A1381 WeakPolarHBondContact CA-O 3.39Å; T1376-I1382 HydrophobicContact CG2-CG1 4.13Å |
| 1377 | T | 88.2 | Confident | 83.4 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | trans | -69.8 | 173.5 | -178.6 | 64 | 0 | 0 | 0 | 0 | 112.3 | D1379 G1380 A1381 Y1383 C1502 E1512 | T1377-D1379 VanDerWaalsContact C-N 3.28Å; T1377-D1379 PolarHBondContact O-N 3.35Å; T1377-G1380 PolarHBondContact O-N 3.45Å; T1377-G1380 PolarHBondContact OG1-N 2.94Å; T1377-A1381 HydrophobicContact CG2-CB 4.05Å; T1377-A1381 PolarHBondContact N-O 3.43Å; T1377-A1381 WeakPolarHBondContact OG1-CB 3.32Å; T1377-A1381 PolarHBondContact OG1-N 3.47Å; T1377-A1381 PolarHBondContact OG1-O 2.95Å; T1377-Y1383 HydrophobicContact CG2-CD1 4.29Å; T1377-Y1383 HydrophobicContact CG2-CE1 3.58Å; T1377-C1502 CarbonylContact C-O 3.56Å; T1377-C1502 WeakPolarHBondContact CA-O 3.28Å; T1377-C1502 VanDerWaalsContact CB-O 3.3Å; T1377-C1502 WeakPolarHBondContact CB-O 3.26Å; T1377-E1512 WeakPolarHBondContact CB-OE1 3.33Å; T1377-E1512 VanDerWaalsContact CB-OE2 3.27Å; T1377-E1512 WeakPolarHBondContact CB-OE2 3.38Å; T1377-E1512 HydrophobicContact CG2-CG 4.14Å; T1377-E1512 WeakPolarHBondContact CG2-OE2 3.06Å; T1377-E1512 PolarHBondContact OG1-OE1 3.45Å; T1377-E1512 PolarHBondContact OG1-OE2 3.08Å | ||
| 1378 | F | 87.2 | Confident | 83.1 | Confident | 18 Ų | 18 | 45.9 Ų | 45.9 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -32.5 | 173.9 | -70.8 | -48.5 | 0 | 0 | 0 | 114.4 | G1366 C1368 A1395 I1488 V1490 Q1498 C1502 L1505 | G1366-F1378 VanDerWaalsContact C-CD1 3.48Å; C1368-F1378 HydrophobicContact CB-CD1 3.68Å; C1368-F1378 HydrophobicContact CB-CE1 3.49Å; C1368-F1378 VanDerWaalsContact CB-CE1 3.49Å; C1368-F1378 HydrophobicContact CB-CG 4.33Å; C1368-F1378 HydrophobicContact CB-CZ 4Å; F1378-A1395 HydrophobicContact CE2-CB 4.18Å; F1378-A1395 HydrophobicContact CZ-CB 3.95Å; F1378-I1488 HydrophobicContact CE1-CG2 4.33Å; F1378-I1488 HydrophobicContact CZ-CG2 4.15Å; F1378-V1490 HydrophobicContact CE1-CB 4.16Å; F1378-V1490 HydrophobicContact CE1-CG2 3.82Å; F1378-V1490 HydrophobicContact CE2-CG2 4.4Å; F1378-V1490 HydrophobicContact CZ-CB 4.11Å; F1378-V1490 HydrophobicContact CZ-CG2 3.48Å; F1378-V1490 VanDerWaalsContact CZ-CG2 3.48Å; F1378-Q1498 HydrophobicContact CD2-CB 4.32Å; F1378-Q1498 HydrophobicContact CD2-CG 4.32Å; F1378-Q1498 HydrophobicContact CE2-CB 4.1Å; F1378-Q1498 HydrophobicContact CE2-CG 3.92Å; F1378-C1502 HydrophobicContact CD2-CB 3.86Å; F1378-C1502 WeakPolarHBondContact CD2-O 3.46Å; F1378-C1502 HydrophobicContact CE1-CB 4.4Å; F1378-C1502 HydrophobicContact CE2-CB 3.45Å; F1378-C1502 VanDerWaalsContact CE2-CB 3.45Å; F1378-C1502 HydrophobicContact CG-CB 4.48Å; F1378-C1502 WeakPolarHBondContact CG-O 3.34Å; F1378-C1502 HydrophobicContact CZ-CB 3.75Å; F1378-C1502 PolarHBondContact N-O 3.46Å; F1378-L1505 HydrophobicContact CB-CB 3.96Å; F1378-L1505 HydrophobicContact CB-CD1 3.72Å; F1378-L1505 HydrophobicContact CB-CG 4.41Å; F1378-L1505 HydrophobicContact CD2-CB 4.01Å; F1378-L1505 HydrophobicContact CG-CB 4.15Å; F1378-L1505 HydrophobicContact CG-CD1 4.17Å |
| 1379 | D | 75.3 | Confident | 82.7 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 17% | 0.171 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 4 | -178.3 | -54 | -53.2 | 0 | 0 | 0 | 112.9 | T1377 N1504 L1505 N1506 A1507 E1512 | T1377-D1379 VanDerWaalsContact C-N 3.28Å; T1377-D1379 PolarHBondContact O-N 3.35Å; D1379-N1504 PolarHBondContact OD2-OD1 2.72Å; D1379-L1505 VanDerWaalsContact OD2-CA 3.24Å; D1379-L1505 WeakPolarHBondContact OD2-CA 3.23Å; D1379-L1505 PolarHBondContact OD2-N 3.29Å; D1379-L1505 VanDerWaalsContact OD2-N 3.12Å; D1379-N1506 PolarHBondContact OD1-N 2.93Å; D1379-N1506 PolarHBondContact OD2-N 2.7Å; D1379-N1506 PolarHBondContact OD2-OD1 2.89Å; D1379-A1507 VanDerWaalsContact CG-N 3.3Å; D1379-A1507 WeakPolarHBondContact OD1-CA 3.34Å; D1379-A1507 PolarHBondContact OD1-N 3.01Å; D1379-E1512 WeakPolarHBondContact CB-OE1 3.39Å |
| 1380 | G | 70.2 | Confident | 82.5 | Confident | 48 Ų | 48 | 43.8 Ų | 43.8 | 50% | 0.495 | 23% | 0.23 | S | C | . | . | S | Bend | trans | 95.6 | 12.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | T1377 | T1377-G1380 PolarHBondContact O-N 3.45Å; T1377-G1380 PolarHBondContact OG1-N 2.94Å |
| 1381 | A | 71.7 | Confident | 82.5 | Confident | 22 Ų | 22 | 45.4 Ų | 45.4 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | trans | -74 | 143.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | T1376 T1377 E1512 | T1376-A1381 CarbonylContact C-O 3.12Å; T1376-A1381 VanDerWaalsContact CA-O 3.29Å; T1376-A1381 WeakPolarHBondContact CA-O 3.39Å; T1377-A1381 HydrophobicContact CG2-CB 4.05Å; T1377-A1381 PolarHBondContact N-O 3.43Å; T1377-A1381 WeakPolarHBondContact OG1-CB 3.32Å; T1377-A1381 PolarHBondContact OG1-N 3.47Å; T1377-A1381 PolarHBondContact OG1-O 2.95Å; A1381-E1512 HydrophobicContact CB-CG 3.67Å; A1381-E1512 WeakPolarHBondContact CB-OE1 3.37Å | ||
| 1382 | I | 78.3 | Confident | 82.7 | Confident | 93 Ų | 93 | 38.2 Ų | 38.2 | 48% | 0.477 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 130.6 | 179.8 | -55.7 | 174.6 | 0 | 0 | 0 | 109.3 | I1375 T1376 | I1375-I1382 VanDerWaalsContact O-CA 3.29Å; I1375-I1382 WeakPolarHBondContact O-CA 3.36Å; T1376-I1382 HydrophobicContact CG2-CG1 4.13Å |
| 1383 | Y | 80.9 | Confident | 83.2 | Confident | 9 Ų | 9 | 32.1 Ų | 32.1 | 4% | 0.035 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 166.6 | 174.9 | 63.6 | -87.1 | 0 | 0 | 0 | 111.2 | S1374 I1375 T1377 I1385 M1501 F1513 I1524 | S1374-Y1383 WeakPolarHBondContact CA-O 2.94Å; I1375-Y1383 HydrophobicContact CB-CE1 4.07Å; I1375-Y1383 HydrophobicContact CB-CE2 4.01Å; I1375-Y1383 WeakPolarHBondContact CB-OH 3.38Å; I1375-Y1383 HydrophobicContact CD1-CE2 4.27Å; I1375-Y1383 WeakPolarHBondContact CD1-OH 3.38Å; I1375-Y1383 HydrophobicContact CG1-CE2 4.41Å; I1375-Y1383 HydrophobicContact CG2-CE1 4.08Å; I1375-Y1383 VanDerWaalsContact CG2-OH 3.28Å; I1375-Y1383 WeakPolarHBondContact CG2-OH 3.39Å; I1375-Y1383 PolarHBondContact N-O 3.23Å; I1375-Y1383 PolarHBondContact O-N 2.97Å; T1377-Y1383 HydrophobicContact CG2-CD1 4.29Å; T1377-Y1383 HydrophobicContact CG2-CE1 3.58Å; Y1383-I1385 HydrophobicContact CD2-CG2 4.05Å; Y1383-I1385 HydrophobicContact CE2-CG1 4.47Å; Y1383-I1385 HydrophobicContact CE2-CG2 3.81Å; Y1383-M1501 HydrophobicContact CD2-CE 4.42Å; Y1383-M1501 HydrophobicContact CE2-CE 3.34Å; Y1383-M1501 WeakPolarHBondContact OH-CA 3.32Å; Y1383-M1501 VanDerWaalsContact OH-CB 3.26Å; Y1383-M1501 WeakPolarHBondContact OH-CB 3.25Å; Y1383-M1501 VanDerWaalsContact OH-CE 3.31Å; Y1383-M1501 WeakPolarHBondContact OH-CE 3.25Å; Y1383-M1501 PolarHBondContact OH-O 2.73Å; Y1383-F1513 AromaticContact CD1-CE2 4Å; Y1383-F1513 HydrophobicContact CD1-CE2 4Å; Y1383-F1513 HydrophobicContact CD1-CZ 4.12Å; Y1383-F1513 AromaticContact CE1-CE2 3.78Å; Y1383-F1513 HydrophobicContact CE1-CE2 3.78Å; Y1383-F1513 AromaticContact CE1-CZ 3.41Å; Y1383-F1513 HydrophobicContact CE1-CZ 3.41Å; Y1383-F1513 VanDerWaalsContact CE1-CZ 3.41Å; Y1383-F1513 HydrophobicContact CE2-CZ 4.35Å; Y1383-F1513 AromaticContact CZ-CZ 3.57Å; Y1383-I1524 HydrophobicContact CD2-CG2 3.63Å; Y1383-I1524 HydrophobicContact CE2-CG2 4.19Å; Y1383-I1524 HydrophobicContact CG-CD1 4.35Å; Y1383-I1524 HydrophobicContact CG-CG2 4.17Å |
| 1384 | R | 79.3 | Confident | 83.7 | Confident | 130 Ų | 130 | 28.5 Ų | 28.5 | 49% | 0.491 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 142.6 | -178.5 | -71.7 | 174.5 | 172.7 | -177 | 3.6 | 112.3 | N1373 Q1551 | N1373-R1384 CarbonylContact O-C 3.58Å; N1373-R1384 WeakPolarHBondContact O-CA 3.5Å; R1384-Q1551 HydrophobicContact CB-CG 4.15Å; R1384-Q1551 VanDerWaalsContact CD-CG 3.46Å; R1384-Q1551 HydrophobicContact CG-CG 4.41Å |
| 1385 | I | 77.7 | Confident | 84 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | trans | -139.4 | 141.6 | 174.8 | 49.6 | 154.6 | 0 | 0 | 0 | 113 | N1373 I1375 Y1383 F1387 M1501 I1524 F1528 | N1373-I1385 VanDerWaalsContact CB-O 3.26Å; N1373-I1385 WeakPolarHBondContact CB-O 3.31Å; N1373-I1385 PolarHBondContact O-N 2.75Å; I1375-I1385 HydrophobicContact CD1-CD1 3.46Å; I1375-I1385 VanDerWaalsContact CD1-CD1 3.46Å; I1375-I1385 HydrophobicContact CD1-CG1 3.85Å; I1375-I1385 HydrophobicContact CG1-CD1 4.34Å; I1375-I1385 HydrophobicContact CG1-CG1 4.23Å; Y1383-I1385 HydrophobicContact CD2-CG2 4.05Å; Y1383-I1385 HydrophobicContact CE2-CG1 4.47Å; Y1383-I1385 HydrophobicContact CE2-CG2 3.81Å; I1385-F1387 HydrophobicContact CD1-CD2 4.18Å; I1385-F1387 HydrophobicContact CD1-CE1 4.12Å; I1385-F1387 HydrophobicContact CD1-CE2 3.7Å; I1385-F1387 HydrophobicContact CD1-CZ 3.67Å; I1385-F1387 HydrophobicContact CG1-CD2 4.29Å; I1385-F1387 HydrophobicContact CG1-CE2 3.93Å; I1385-F1387 HydrophobicContact CG1-CZ 4.39Å; I1385-F1387 PolarHBondContact O-N 2.97Å; I1385-M1501 HydrophobicContact CD1-CE 4.2Å; I1385-M1501 HydrophobicContact CD1-CG 4.18Å; I1385-M1501 HydrophobicContact CG2-CE 3.67Å; I1385-I1524 HydrophobicContact CG2-CG2 4.44Å; I1385-F1528 HydrophobicContact CB-CD2 3.79Å; I1385-F1528 HydrophobicContact CB-CE2 3.96Å; I1385-F1528 HydrophobicContact CB-CG 4.23Å; I1385-F1528 HydrophobicContact CD1-CD2 3.67Å; I1385-F1528 HydrophobicContact CD1-CE2 3.68Å; I1385-F1528 HydrophobicContact CG1-CD2 4.37Å; I1385-F1528 HydrophobicContact CG1-CE2 4.42Å; I1385-F1528 HydrophobicContact CG2-CB 4Å; I1385-F1528 HydrophobicContact CG2-CD2 3.75Å; I1385-F1528 HydrophobicContact CG2-CE2 4.43Å; I1385-F1528 HydrophobicContact CG2-CG 3.86Å | ||
| 1386 | P | 78.4 | Confident | 84.1 | Confident | 55 Ų | 55 | 31.4 Ų | 31.4 | 36% | 0.357 | 17% | 0.168 | S | C | . | . | trans | -87 | 87.4 | -179.6 | 33.6 | -31.7 | 0 | 0 | 0 | 111.4 | S1388 W1525 F1528 | P1386-S1388 PolarHBondContact O-N 3.44Å; P1386-W1525 HydrophobicContact CG-CH2 4.21Å; P1386-W1525 HydrophobicContact CG-CZ3 3.66Å; P1386-F1528 HydrophobicContact CG-CE1 3.95Å; P1386-F1528 HydrophobicContact CG-CZ 4.39Å; P1386-F1528 VanDerWaalsContact O-CZ 3.23Å; P1386-F1528 WeakPolarHBondContact O-CZ 3.27Å | ||
| 1387 | F | 80.5 | Confident | 84.2 | Confident | 12 Ų | 12 | 29.6 Ų | 29.6 | 5% | 0.053 | 16% | 0.157 | C | C | . | . | trans | -51.9 | 127.4 | 174.5 | -76.4 | -86.9 | 0 | 0 | 0 | 111.9 | I1370 I1375 I1385 L1394 A1408 K1418 | I1370-F1387 HydrophobicContact CG2-CE2 3.76Å; I1370-F1387 HydrophobicContact CG2-CZ 3.71Å; I1375-F1387 HydrophobicContact CD1-CZ 4.15Å; I1385-F1387 HydrophobicContact CD1-CD2 4.18Å; I1385-F1387 HydrophobicContact CD1-CE1 4.12Å; I1385-F1387 HydrophobicContact CD1-CE2 3.7Å; I1385-F1387 HydrophobicContact CD1-CZ 3.67Å; I1385-F1387 HydrophobicContact CG1-CD2 4.29Å; I1385-F1387 HydrophobicContact CG1-CE2 3.93Å; I1385-F1387 HydrophobicContact CG1-CZ 4.39Å; I1385-F1387 PolarHBondContact O-N 2.97Å; F1387-L1394 HydrophobicContact CE1-CD2 3.98Å; F1387-L1394 HydrophobicContact CZ-CD2 3.88Å; F1387-A1408 HydrophobicContact CE1-CB 4.08Å; F1387-K1418 HydrophobicContact CD1-CD 4.39Å; F1387-K1418 HydrophobicContact CD2-CD 4.35Å; F1387-K1418 HydrophobicContact CE1-CD 4.42Å; F1387-K1418 HydrophobicContact CE2-CD 4.37Å; F1387-K1418 HydrophobicContact CG-CD 4.34Å; F1387-K1418 VanDerWaalsContact CG-CE 3.47Å; F1387-K1418 HydrophobicContact CZ-CD 4.4Å | ||
| 1388 | S | 82 | Confident | 83.8 | Confident | 13 Ų | 13 | 30.5 Ų | 30.5 | 9% | 0.091 | 16% | 0.163 | C | C | . | . | trans | -105.3 | -170.8 | 178 | 87.4 | 0 | 0 | 0 | 0 | 112.1 | P1386 C1390 R1410 Q1539 P1541 | P1386-S1388 PolarHBondContact O-N 3.44Å; S1388-C1390 PolarHBondContact O-N 3.16Å; S1388-C1390 WeakPolarHBondContact OG-CB 3.4Å; S1388-C1390 PolarHBondContact OG-N 3.42Å; S1388-R1410 WeakPolarHBondContact O-CB 3.19Å; S1388-R1410 PolarHBondContact O-N 2.9Å; S1388-Q1539 VanDerWaalsContact CB-O 3.3Å; S1388-Q1539 WeakPolarHBondContact CB-O 3.41Å; S1388-Q1539 PolarHBondContact OG-O 3.44Å; S1388-P1541 WeakPolarHBondContact OG-CD 3.07Å | ||
| 1389 | S | 85.4 | Confident | 83.4 | Confident | 27 Ų | 27 | 31.5 Ų | 31.5 | 19% | 0.189 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -71.5 | -6.4 | 171.5 | 59 | 0 | 0 | 0 | 0 | 114 | R1409 Q1539 | S1389-R1409 WeakPolarHBondContact O-CD 3.34Å; S1389-Q1539 PolarHBondContact OG-N 2.91Å; S1389-Q1539 PolarHBondContact OG-O 2.95Å |
| 1390 | C | 88.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -86.6 | 150.9 | 174.4 | -56.7 | 0 | 0 | 0 | 0 | 111.2 | S1388 T1392 R1409 T1532 C1538 Q1539 | S1388-C1390 PolarHBondContact O-N 3.16Å; S1388-C1390 WeakPolarHBondContact OG-CB 3.4Å; S1388-C1390 PolarHBondContact OG-N 3.42Å; C1390-T1392 PolarHBondContact O-N 3.06Å; C1390-R1409 WeakPolarHBondContact O-CB 3.5Å; C1390-T1532 HydrophobicContact CB-CG2 3.5Å; C1390-T1532 VanDerWaalsContact CB-CG2 3.5Å; C1390-C1538 VanDerWaalsContact CA-SG 3.59Å; C1390-C1538 HydrophobicContact CB-CB 3.88Å; C1390-C1538 WeakPolarHBondContact CB-SG 3.34Å; C1390-C1538 WeakPolarHBondContact SG-CB 3.36Å; C1390-C1538 CovalentContact SG-SG 2.04Å; C1390-C1538 PolarHBondContact SG-SG 3.36Å; C1390-Q1539 PolarHBondContact SG-O 2.97Å |
| 1391 | Y | 91.4 | Very high | 83.7 | Confident | 34 Ų | 34 | 41.4 Ų | 41.4 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -74.6 | 122.3 | 174.8 | -81.7 | -69.8 | 0 | 0 | 0 | 111 | M1407 R1409 V1419 K1421 E1430 I1533 | Y1391-M1407 HydrophobicContact CD1-CB 4.24Å; Y1391-M1407 HydrophobicContact CD1-CG 3.68Å; Y1391-M1407 HydrophobicContact CD1-SD 3.96Å; Y1391-M1407 HydrophobicContact CD2-SD 4.47Å; Y1391-M1407 HydrophobicContact CE1-CG 4.35Å; Y1391-M1407 HydrophobicContact CG-CG 4.15Å; Y1391-M1407 HydrophobicContact CG-SD 3.84Å; Y1391-R1409 HydrophobicContact CD1-CB 3.9Å; Y1391-R1409 HydrophobicContact CD1-CG 3.85Å; Y1391-R1409 HydrophobicContact CE1-CB 4.15Å; Y1391-R1409 HydrophobicContact CE1-CG 3.56Å; Y1391-R1409 HydrophobicContact CE2-CG 4.34Å; Y1391-R1409 HydrophobicContact CG-CB 4.23Å; Y1391-R1409 HydrophobicContact CG-CG 4.33Å; Y1391-R1409 VanDerWaalsContact CZ-CD 3.44Å; Y1391-R1409 PolarHBondContact OH-NE 3.3Å; Y1391-V1419 HydrophobicContact CE1-CG1 4.48Å; Y1391-V1419 WeakPolarHBondContact OH-CG1 3.44Å; Y1391-K1421 HydrophobicContact CD1-CB 4.41Å; Y1391-K1421 HydrophobicContact CE1-CB 3.8Å; Y1391-K1421 VanDerWaalsContact CZ-CE 3.49Å; Y1391-E1430 PolarHBondContact OH-OE1 2.75Å; Y1391-I1533 WeakPolarHBondContact O-CB 3.38Å; Y1391-I1533 WeakPolarHBondContact O-CG1 3.4Å; Y1391-I1533 PolarHBondContact O-N 2.72Å |
| 1392 | T | 91.4 | Very high | 84.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 129.4 | 172.3 | -54.7 | 0 | 0 | 0 | 0 | 109.9 | C1390 L1394 M1407 A1408 M1501 F1528 M1531 T1532 | C1390-T1392 PolarHBondContact O-N 3.06Å; T1392-L1394 PolarHBondContact O-N 3.43Å; T1392-M1407 CarbonylContact O-C 3.59Å; T1392-M1407 WeakPolarHBondContact O-CA 3.3Å; T1392-M1407 VanDerWaalsContact O-CB 3.3Å; T1392-M1407 WeakPolarHBondContact O-CB 3.18Å; T1392-A1408 PolarHBondContact N-O 3.09Å; T1392-A1408 PolarHBondContact O-N 3.07Å; T1392-M1501 HydrophobicContact CG2-CG 3.68Å; T1392-M1501 HydrophobicContact CG2-SD 4.39Å; T1392-F1528 HydrophobicContact CG2-CD2 3.92Å; T1392-F1528 HydrophobicContact CG2-CE2 3.85Å; T1392-M1531 CarbonylContact C-O 3.42Å; T1392-M1531 WeakPolarHBondContact CA-O 3.36Å; T1392-M1531 HydrophobicContact CG2-CB 4.31Å; T1392-T1532 PolarHBondContact OG1-OG1 3.27Å; T1392-T1532 VanDerWaalsContact OG1-OG1 3.09Å |
| 1393 | I | 92.6 | Very high | 84.6 | Confident | 28 Ų | 28 | 41.9 Ų | 41.9 | 14% | 0.144 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 114.2 | 178.2 | -60.6 | 173.6 | 0 | 0 | 0 | 109.6 | R1396 G1500 M1501 M1531 I1533 | I1393-R1396 HydrophobicContact CG2-CB 3.85Å; I1393-G1500 WeakPolarHBondContact O-CA 3.08Å; I1393-M1501 WeakPolarHBondContact O-CG 3.35Å; I1393-M1501 PolarHBondContact O-N 3.49Å; I1393-M1531 HydrophobicContact CB-CB 4.32Å; I1393-M1531 HydrophobicContact CB-SD 4.35Å; I1393-M1531 PolarHBondContact N-O 3.47Å; I1393-I1533 HydrophobicContact CD1-CG1 4.47Å; I1393-I1533 HydrophobicContact CG1-CD1 4.3Å; I1393-I1533 HydrophobicContact CG1-CG1 4.35Å |
| 1394 | L | 94.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -51.2 | 177.6 | -60.4 | 179.4 | 0 | 0 | 0 | 111.3 | I1370 I1375 F1387 T1392 I1406 A1408 I1486 I1488 G1500 M1501 C1502 | I1370-L1394 HydrophobicContact CD1-CD1 3.87Å; I1370-L1394 HydrophobicContact CD1-CD2 4.5Å; I1370-L1394 HydrophobicContact CG1-CD1 4.17Å; I1370-L1394 HydrophobicContact CG1-CD2 4.17Å; I1375-L1394 HydrophobicContact CD1-CD2 4.02Å; F1387-L1394 HydrophobicContact CE1-CD2 3.98Å; F1387-L1394 HydrophobicContact CZ-CD2 3.88Å; T1392-L1394 PolarHBondContact O-N 3.43Å; L1394-I1406 WeakPolarHBondContact CA-O 3.45Å; L1394-I1406 WeakPolarHBondContact CB-O 3.33Å; L1394-I1406 PolarHBondContact N-O 3.02Å; L1394-A1408 HydrophobicContact CD1-CB 3.74Å; L1394-A1408 HydrophobicContact CG-CB 4.33Å; L1394-I1486 HydrophobicContact CD1-CD1 4.09Å; L1394-I1488 HydrophobicContact CB-CD1 3.7Å; L1394-I1488 HydrophobicContact CD1-CD1 3.97Å; L1394-G1500 CarbonylContact O-C 2.89Å; L1394-G1500 WeakPolarHBondContact O-CA 3.22Å; L1394-M1501 HydrophobicContact CD2-CB 4.26Å; L1394-M1501 PolarHBondContact O-N 3.13Å; L1394-M1501 VanDerWaalsContact O-N 3.13Å; L1394-C1502 WeakPolarHBondContact O-CB 3.41Å; L1394-C1502 PolarHBondContact O-N 2.84Å; L1394-C1502 PolarHBondContact O-SG 3.38Å |
| 1395 | A | 93.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 129.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F1378 F1404 A1405 I1406 I1488 T1499 C1502 | F1378-A1395 HydrophobicContact CE2-CB 4.18Å; F1378-A1395 HydrophobicContact CZ-CB 3.95Å; A1395-F1404 HydrophobicContact CB-CE2 4.38Å; A1395-A1405 CarbonylContact O-C 3.5Å; A1395-A1405 WeakPolarHBondContact O-CA 3.32Å; A1395-I1406 HydrophobicContact CB-CD1 4.42Å; A1395-I1406 PolarHBondContact N-O 2.8Å; A1395-I1406 PolarHBondContact O-N 2.96Å; A1395-I1488 HydrophobicContact CB-CD1 4.32Å; A1395-I1488 HydrophobicContact CB-CG2 4.14Å; A1395-T1499 CarbonylContact C-O 3.55Å; A1395-C1502 HydrophobicContact CB-CB 4.3Å |
| 1396 | R | 91.8 | Very high | 86.7 | Confident | 94 Ų | 94 | 35.4 Ų | 35.4 | 36% | 0.355 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 138.4 | -177.9 | -167 | -173.4 | 93 | 142.2 | 6.9 | 110.1 | I1393 S1398 P1402 F1404 A1405 Q1498 T1499 | I1393-R1396 HydrophobicContact CG2-CB 3.85Å; R1396-S1398 PolarHBondContact O-N 2.89Å; R1396-P1402 HydrophobicContact CG-CB 4.29Å; R1396-F1404 WeakPolarHBondContact CA-O 3.19Å; R1396-A1405 HydrophobicContact CB-CB 4.45Å; R1396-A1405 HydrophobicContact CG-CB 3.91Å; R1396-Q1498 WeakPolarHBondContact O-CA 3.41Å; R1396-Q1498 PolarHBondContact O-NE2 3.48Å; R1396-T1499 PolarHBondContact N-O 2.83Å; R1396-T1499 PolarHBondContact O-N 2.87Å; R1396-T1499 PolarHBondContact O-OG1 3.47Å |
| 1397 | D | 89.5 | Confident | 87.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 129.1 | 166.1 | -170 | 2.2 | 0 | 0 | 0 | 109.5 | E1399 P1402 K1403 F1404 Y1494 R1497 | D1397-E1399 VanDerWaalsContact C-N 3.35Å; D1397-E1399 PolarHBondContact OD1-N 3.39Å; D1397-P1402 HydrophobicContact CB-CB 4.19Å; D1397-P1402 VanDerWaalsContact O-CB 3.28Å; D1397-P1402 WeakPolarHBondContact O-CB 3.48Å; D1397-K1403 WeakPolarHBondContact OD2-CB 3.1Å; D1397-K1403 PolarHBondContact OD2-N 3.26Å; D1397-F1404 HydrophobicContact CB-CD1 4.14Å; D1397-F1404 HydrophobicContact CB-CE1 4.08Å; D1397-F1404 PolarHBondContact N-O 3.08Å; D1397-F1404 VanDerWaalsContact N-O 3.13Å; D1397-Y1494 HydrophobicContact CB-CE1 4.34Å; D1397-Y1494 WeakPolarHBondContact OD2-CE1 3.36Å; D1397-R1497 IonicContact OD1-CZ 2.58Å; D1397-R1497 IonicContact OD1-NE 3.54Å; D1397-R1497 IonicContact OD1-NH2 2.59Å; D1397-R1497 PolarHBondContact OD1-NH2 2.87Å; D1397-R1497 VanDerWaalsContact OD1-NH2 3.11Å; D1397-R1497 IonicContact OD2-NH2 3.55Å |
| 1398 | S | 80.6 | Confident | 88.1 | Confident | 19 Ų | 19 | 32.6 Ų | 32.6 | 13% | 0.133 | 16% | 0.162 | C | C | . | . | trans | -89.5 | 3.9 | -175.4 | -49 | 0 | 0 | 0 | 0 | 114 | R1396 R1497 T1499 | R1396-S1398 PolarHBondContact O-N 2.89Å; S1398-R1497 PolarHBondContact N-O 3Å; S1398-R1497 PolarHBondContact OG-O 3.13Å; S1398-T1499 WeakPolarHBondContact OG-CB 3.34Å; S1398-T1499 WeakPolarHBondContact OG-CG2 3.09Å; S1398-T1499 PolarHBondContact OG-N 3.36Å; S1398-T1499 PolarHBondContact OG-OG1 2.96Å | ||
| 1399 | E | 78.2 | Confident | 88.5 | Confident | 39 Ų | 39 | 34.1 Ų | 34.1 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -62.1 | 156.6 | 170.1 | -105 | 176.5 | -169.4 | 0 | 0 | 112 | D1397 D1401 K1403 R1497 | D1397-E1399 VanDerWaalsContact C-N 3.35Å; D1397-E1399 PolarHBondContact OD1-N 3.39Å; E1399-D1401 PolarHBondContact O-N 3.02Å; E1399-K1403 IonicContact OE2-NZ 3.65Å; E1399-K1403 PolarHBondContact OE2-NZ 3.46Å; E1399-R1497 VanDerWaalsContact CG-NH2 3.26Å; E1399-R1497 IonicContact OE1-CZ 3.52Å; E1399-R1497 IonicContact OE1-NH1 2.78Å; E1399-R1497 PolarHBondContact OE1-NH1 3.35Å; E1399-R1497 IonicContact OE1-NH2 2.82Å; E1399-R1497 PolarHBondContact OE1-NH2 3.47Å; E1399-R1497 IonicContact OE2-CZ 3.91Å; E1399-R1497 IonicContact OE2-NH1 2.8Å; E1399-R1497 IonicContact OE2-NH2 3.18Å; E1399-R1497 PolarHBondContact OE2-NH2 2.93Å |
| 1400 | E | 73.1 | Confident | 88.6 | Confident | 168 Ų | 168 | 38.8 Ų | 38.8 | 79% | 0.785 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -54.8 | -33.5 | 174.9 | -73.5 | -177.7 | 165.8 | 0 | 0 | 112.9 | P1402 | E1400-P1402 WeakPolarHBondContact O-CD 3.21Š|
| 1401 | D | 78.9 | Confident | 88.6 | Confident | 121 Ų | 121 | 39.1 Ų | 39.1 | 65% | 0.647 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -113.8 | 87.2 | 172.5 | -176.2 | 21.6 | 0 | 0 | 0 | 109.4 | E1399 K1403 | E1399-D1401 PolarHBondContact O-N 3.02Å; D1401-K1403 PolarHBondContact O-N 3.29Å |
| 1402 | P | 83.7 | Confident | 88.2 | Confident | 44 Ų | 44 | 45.4 Ų | 45.4 | 29% | 0.286 | 21% | 0.205 | S | C | . | . | trans | -69.1 | 120 | -170.6 | 27.5 | -35 | 0 | 0 | 0 | 111.5 | R1396 D1397 E1400 F1404 | R1396-P1402 HydrophobicContact CG-CB 4.29Å; D1397-P1402 HydrophobicContact CB-CB 4.19Å; D1397-P1402 VanDerWaalsContact O-CB 3.28Å; D1397-P1402 WeakPolarHBondContact O-CB 3.48Å; E1400-P1402 WeakPolarHBondContact O-CD 3.21Å; P1402-F1404 PolarHBondContact O-N 3.29Å | ||
| 1403 | K | 86.8 | Confident | 87.7 | Confident | 80 Ų | 80 | 51.2 Ų | 51.2 | 35% | 0.348 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -68.8 | -21.6 | -177.1 | -67.9 | 171.4 | -175.2 | 131.3 | 0 | 114.1 | D1397 E1399 D1401 P1475 | D1397-K1403 WeakPolarHBondContact OD2-CB 3.1Å; D1397-K1403 PolarHBondContact OD2-N 3.26Å; E1399-K1403 IonicContact OE2-NZ 3.65Å; E1399-K1403 PolarHBondContact OE2-NZ 3.46Å; D1401-K1403 PolarHBondContact O-N 3.29Å; K1403-P1475 HydrophobicContact CB-CB 4.1Å; K1403-P1475 HydrophobicContact CB-CG 4.26Å |
| 1404 | F | 92.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.009 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 156.4 | 173.5 | 70.3 | -77.2 | 0 | 0 | 0 | 112.4 | A1395 R1396 D1397 P1402 I1406 M1423 P1475 V1477 V1490 Y1494 Q1498 | A1395-F1404 HydrophobicContact CB-CE2 4.38Å; R1396-F1404 WeakPolarHBondContact CA-O 3.19Å; D1397-F1404 HydrophobicContact CB-CD1 4.14Å; D1397-F1404 HydrophobicContact CB-CE1 4.08Å; D1397-F1404 PolarHBondContact N-O 3.08Å; D1397-F1404 VanDerWaalsContact N-O 3.13Å; P1402-F1404 PolarHBondContact O-N 3.29Å; F1404-I1406 HydrophobicContact CD2-CD1 4.1Å; F1404-I1406 HydrophobicContact CD2-CG1 4.17Å; F1404-I1406 HydrophobicContact CE2-CD1 4.13Å; F1404-M1423 CarbonylContact C-O 3.45Å; F1404-M1423 WeakPolarHBondContact CA-O 3.27Å; F1404-P1475 HydrophobicContact CB-CG 3.78Å; F1404-P1475 HydrophobicContact CD1-CB 4.03Å; F1404-P1475 HydrophobicContact CD1-CG 3.85Å; F1404-P1475 HydrophobicContact CG-CG 4.1Å; F1404-V1477 HydrophobicContact CD1-CG2 3.78Å; F1404-V1477 HydrophobicContact CD2-CG1 4.14Å; F1404-V1477 HydrophobicContact CD2-CG2 4.12Å; F1404-V1477 HydrophobicContact CE1-CG2 3.6Å; F1404-V1477 HydrophobicContact CE2-CG1 4.05Å; F1404-V1477 HydrophobicContact CE2-CG2 3.95Å; F1404-V1477 HydrophobicContact CG-CG2 4.03Å; F1404-V1477 HydrophobicContact CZ-CG2 3.66Å; F1404-V1490 HydrophobicContact CE2-CG2 4.22Å; F1404-V1490 HydrophobicContact CZ-CG1 3.93Å; F1404-V1490 HydrophobicContact CZ-CG2 3.99Å; F1404-Y1494 HydrophobicContact CD1-CE1 4.42Å; F1404-Y1494 HydrophobicContact CD1-CE2 4.44Å; F1404-Y1494 HydrophobicContact CE1-CD1 4.09Å; F1404-Y1494 HydrophobicContact CE1-CD2 4.08Å; F1404-Y1494 AromaticContact CE1-CE1 3.83Å; F1404-Y1494 HydrophobicContact CE1-CE1 3.83Å; F1404-Y1494 AromaticContact CE1-CE2 3.7Å; F1404-Y1494 HydrophobicContact CE1-CE2 3.7Å; F1404-Y1494 HydrophobicContact CE1-CG 4.23Å; F1404-Y1494 AromaticContact CE1-CZ 3.62Å; F1404-Y1494 HydrophobicContact CZ-CE2 4.48Å; F1404-Q1498 VanDerWaalsContact CZ-NE2 3.31Å |
| 1405 | A | 93.1 | Very high | 86.5 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 137.8 | 166 | 0 | 0 | 0 | 0 | 0 | 109.4 | A1395 R1396 M1407 L1422 M1423 | A1395-A1405 CarbonylContact O-C 3.5Å; A1395-A1405 WeakPolarHBondContact O-CA 3.32Å; R1396-A1405 HydrophobicContact CB-CB 4.45Å; R1396-A1405 HydrophobicContact CG-CB 3.91Å; A1405-M1407 HydrophobicContact CB-CE 4.38Å; A1405-L1422 CarbonylContact O-C 3.53Å; A1405-L1422 WeakPolarHBondContact O-CA 3.35Å; A1405-M1423 HydrophobicContact CB-CB 4.35Å; A1405-M1423 HydrophobicContact CB-CE 4.2Å; A1405-M1423 PolarHBondContact N-O 2.6Å; A1405-M1423 PolarHBondContact O-N 3.31Å |
| 1406 | I | 95.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 127.1 | 175.2 | -59.4 | 161.3 | 0 | 0 | 0 | 106.9 | L1394 A1395 F1404 V1420 K1421 L1422 V1477 V1479 I1488 | L1394-I1406 WeakPolarHBondContact CA-O 3.45Å; L1394-I1406 WeakPolarHBondContact CB-O 3.33Å; L1394-I1406 PolarHBondContact N-O 3.02Å; A1395-I1406 HydrophobicContact CB-CD1 4.42Å; A1395-I1406 PolarHBondContact N-O 2.8Å; A1395-I1406 PolarHBondContact O-N 2.96Å; F1404-I1406 HydrophobicContact CD2-CD1 4.1Å; F1404-I1406 HydrophobicContact CD2-CG1 4.17Å; F1404-I1406 HydrophobicContact CE2-CD1 4.13Å; I1406-V1420 HydrophobicContact CG2-CG1 4.32Å; I1406-K1421 WeakPolarHBondContact CA-O 3.33Å; I1406-L1422 HydrophobicContact CG1-CG 4.33Å; I1406-V1477 HydrophobicContact CD1-CG1 3.77Å; I1406-V1479 HydrophobicContact CD1-CG2 3.46Å; I1406-V1479 VanDerWaalsContact CD1-CG2 3.46Å; I1406-V1479 HydrophobicContact CG1-CG2 4.11Å; I1406-V1479 HydrophobicContact CG2-CG2 4.49Å; I1406-I1488 HydrophobicContact CB-CD1 4.2Å; I1406-I1488 HydrophobicContact CD1-CB 4.48Å; I1406-I1488 HydrophobicContact CD1-CD1 4.23Å; I1406-I1488 HydrophobicContact CD1-CG1 4.23Å; I1406-I1488 HydrophobicContact CD1-CG2 3.5Å; I1406-I1488 VanDerWaalsContact CD1-CG2 3.5Å; I1406-I1488 HydrophobicContact CG2-CD1 3.66Å; I1406-I1488 HydrophobicContact CG2-CG1 4.25Å |
| 1407 | M | 94.2 | Very high | 85.5 | Confident | 7 Ų | 7 | 57.2 Ų | 57.2 | 3% | 0.034 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 155 | -177.3 | 60.2 | -173.9 | 72.1 | 0 | 0 | 110.8 | Y1391 T1392 A1405 K1421 M1423 I1533 | Y1391-M1407 HydrophobicContact CD1-CB 4.24Å; Y1391-M1407 HydrophobicContact CD1-CG 3.68Å; Y1391-M1407 HydrophobicContact CD1-SD 3.96Å; Y1391-M1407 HydrophobicContact CD2-SD 4.47Å; Y1391-M1407 HydrophobicContact CE1-CG 4.35Å; Y1391-M1407 HydrophobicContact CG-CG 4.15Å; Y1391-M1407 HydrophobicContact CG-SD 3.84Å; T1392-M1407 CarbonylContact O-C 3.59Å; T1392-M1407 WeakPolarHBondContact O-CA 3.3Å; T1392-M1407 VanDerWaalsContact O-CB 3.3Å; T1392-M1407 WeakPolarHBondContact O-CB 3.18Å; A1405-M1407 HydrophobicContact CB-CE 4.38Å; M1407-K1421 HydrophobicContact CG-CB 3.72Å; M1407-K1421 HydrophobicContact CG-CG 4.32Å; M1407-K1421 PolarHBondContact N-O 3.46Å; M1407-K1421 PolarHBondContact O-N 2.77Å; M1407-K1421 HydrophobicContact SD-CB 4.33Å; M1407-K1421 HydrophobicContact SD-CD 4.05Å; M1407-K1421 HydrophobicContact SD-CG 4.41Å; M1407-M1423 HydrophobicContact CE-CE 3.7Å; M1407-M1423 HydrophobicContact CE-CG 4.3Å; M1407-M1423 HydrophobicContact CE-SD 4.1Å; M1407-I1533 HydrophobicContact CE-CD1 3.9Å; M1407-I1533 HydrophobicContact SD-CD1 3.83Å |
| 1408 | A | 93.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 147.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F1387 T1392 L1394 K1418 V1419 I1486 | F1387-A1408 HydrophobicContact CE1-CB 4.08Å; T1392-A1408 PolarHBondContact N-O 3.09Å; T1392-A1408 PolarHBondContact O-N 3.07Å; L1394-A1408 HydrophobicContact CD1-CB 3.74Å; L1394-A1408 HydrophobicContact CG-CB 4.33Å; A1408-K1418 HydrophobicContact CB-CD 4.46Å; A1408-V1419 VanDerWaalsContact CA-O 3.27Å; A1408-V1419 WeakPolarHBondContact CA-O 3.33Å; A1408-I1486 HydrophobicContact CB-CD1 3.83Å |
| 1409 | R | 90.9 | Very high | 86.1 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 17% | 0.174 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 162.1 | 171.3 | 67.2 | 178 | 176.2 | 87.9 | -2.5 | 110.3 | S1389 C1390 Y1391 K1418 V1419 | S1389-R1409 WeakPolarHBondContact O-CD 3.34Å; C1390-R1409 WeakPolarHBondContact O-CB 3.5Å; Y1391-R1409 HydrophobicContact CD1-CB 3.9Å; Y1391-R1409 HydrophobicContact CD1-CG 3.85Å; Y1391-R1409 HydrophobicContact CE1-CB 4.15Å; Y1391-R1409 HydrophobicContact CE1-CG 3.56Å; Y1391-R1409 HydrophobicContact CE2-CG 4.34Å; Y1391-R1409 HydrophobicContact CG-CB 4.23Å; Y1391-R1409 HydrophobicContact CG-CG 4.33Å; Y1391-R1409 VanDerWaalsContact CZ-CD 3.44Å; Y1391-R1409 PolarHBondContact OH-NE 3.3Å; R1409-K1418 CarbonylContact O-C 3.58Å; R1409-K1418 WeakPolarHBondContact O-CA 3.33Å; R1409-K1418 WeakPolarHBondContact O-CB 3.44Å; R1409-V1419 HydrophobicContact CG-CB 4.02Å; R1409-V1419 PolarHBondContact N-O 3.27Å; R1409-V1419 PolarHBondContact O-N 2.78Å |
| 1410 | R | 88.6 | Confident | 86.9 | Confident | 125 Ų | 125 | 55.4 Ų | 55.4 | 47% | 0.472 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 134.6 | 169.2 | -162.7 | 172.6 | -174.8 | 176.4 | 0.6 | 110.2 | S1388 P1415 | S1388-R1410 WeakPolarHBondContact O-CB 3.19Å; S1388-R1410 PolarHBondContact O-N 2.9Å; R1410-P1415 WeakPolarHBondContact CG-O 3.44Å; R1410-P1415 PolarHBondContact NE-O 3.2Å; R1410-P1415 PolarHBondContact NH2-O 2.69Å |
| 1411 | S | 87 | Confident | 87.9 | Confident | 7 Ų | 7 | 48.8 Ų | 48.8 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | trans | -70.6 | 136.1 | 174.7 | 174 | 0 | 0 | 0 | 0 | 110.1 | E1413 Q1414 K1417 | S1411-E1413 VanDerWaalsContact C-N 3.3Å; S1411-E1413 PolarHBondContact OG-N 3.33Å; S1411-Q1414 WeakPolarHBondContact CB-O 3.47Å; S1411-Q1414 CarbonylContact O-C 3.54Å; S1411-Q1414 PolarHBondContact OG-N 2.84Å; S1411-K1417 PolarHBondContact N-O 2.75Å | ||
| 1412 | R | 82.4 | Confident | 88.6 | Confident | 166 Ų | 166 | 43.1 Ų | 43.1 | 63% | 0.626 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -73.6 | -26.9 | 174.8 | -69.4 | -174.3 | -176.7 | 167.7 | 2.3 | 111.6 | D1537 | R1412-D1537 PolarHBondContact NH2-O 2.78Š|
| 1413 | E | 80.8 | Confident | 89 | Confident | 122 Ų | 122 | 44.8 Ų | 44.8 | 57% | 0.57 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -90.1 | -27.1 | -178.2 | -64.1 | -179.9 | -171.2 | 0 | 0 | 112.9 | S1411 | S1411-E1413 VanDerWaalsContact C-N 3.3Å; S1411-E1413 PolarHBondContact OG-N 3.33Å |
| 1414 | Q | 83.5 | Confident | 89 | Confident | 25 Ų | 25 | 42.3 Ų | 42.3 | 12% | 0.117 | 20% | 0.197 | C | C | . | . | trans | -137.9 | 86.7 | -179.1 | -68.5 | -173.2 | 66.7 | 0 | 0 | 109.8 | S1411 D1416 K1417 P1433 E1434 R1435 | S1411-Q1414 WeakPolarHBondContact CB-O 3.47Å; S1411-Q1414 CarbonylContact O-C 3.54Å; S1411-Q1414 PolarHBondContact OG-N 2.84Å; Q1414-D1416 PolarHBondContact O-N 2.79Å; Q1414-K1417 HydrophobicContact CB-CB 3.98Å; Q1414-K1417 HydrophobicContact CB-CG 3.77Å; Q1414-K1417 PolarHBondContact O-N 3.21Å; Q1414-P1433 VanDerWaalsContact NE2-C 3.26Å; Q1414-P1433 PolarHBondContact NE2-O 2.91Å; Q1414-E1434 PolarHBondContact NE2-O 2.99Å; Q1414-R1435 HydrophobicContact CG-CG 4.42Å | ||
| 1415 | P | 78.5 | Confident | 88.3 | Confident | 70 Ų | 70 | 46.1 Ų | 46.1 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -19.6 | -171.1 | -22.3 | 32.3 | 0 | 0 | 0 | 115 | R1410 | R1410-P1415 WeakPolarHBondContact CG-O 3.44Å; R1410-P1415 PolarHBondContact NE-O 3.2Å; R1410-P1415 PolarHBondContact NH2-O 2.69Å |
| 1416 | D | 79.2 | Confident | 87.7 | Confident | 112 Ų | 112 | 51.8 Ų | 51.8 | 60% | 0.599 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | -13.8 | 175.5 | 54.5 | -52.4 | 0 | 0 | 0 | 113.3 | Q1414 | Q1414-D1416 PolarHBondContact O-N 2.79Š|
| 1417 | K | 86.1 | Confident | 87.3 | Confident | 42 Ų | 42 | 53.6 Ų | 53.6 | 18% | 0.183 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -111.4 | 167.6 | -177.4 | -51.8 | -73.9 | 178 | 171.4 | 0 | 112 | S1411 Q1414 P1433 G1483 N1484 | S1411-K1417 PolarHBondContact N-O 2.75Å; Q1414-K1417 HydrophobicContact CB-CB 3.98Å; Q1414-K1417 HydrophobicContact CB-CG 3.77Å; Q1414-K1417 PolarHBondContact O-N 3.21Å; K1417-P1433 HydrophobicContact CB-CB 3.98Å; K1417-P1433 HydrophobicContact CB-CG 3.57Å; K1417-P1433 HydrophobicContact CG-CB 4.2Å; K1417-P1433 HydrophobicContact CG-CG 4.28Å; K1417-G1483 WeakPolarHBondContact CD-O 3.27Å; K1417-N1484 PolarHBondContact NZ-OD1 2.82Å |
| 1418 | K | 89.9 | Confident | 87.2 | Confident | 18 Ų | 18 | 56.9 Ų | 56.9 | 8% | 0.078 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.6 | 178.7 | -67.8 | 176.3 | -178.7 | 58.5 | 0 | 111.2 | Q1372 F1387 A1408 R1409 Y1481 I1486 | Q1372-K1418 WeakPolarHBondContact O-CE 3.48Å; Q1372-K1418 PolarHBondContact O-NZ 3.36Å; F1387-K1418 HydrophobicContact CD1-CD 4.39Å; F1387-K1418 HydrophobicContact CD2-CD 4.35Å; F1387-K1418 HydrophobicContact CE1-CD 4.42Å; F1387-K1418 HydrophobicContact CE2-CD 4.37Å; F1387-K1418 HydrophobicContact CG-CD 4.34Å; F1387-K1418 VanDerWaalsContact CG-CE 3.47Å; F1387-K1418 HydrophobicContact CZ-CD 4.4Å; A1408-K1418 HydrophobicContact CB-CD 4.46Å; R1409-K1418 CarbonylContact O-C 3.58Å; R1409-K1418 WeakPolarHBondContact O-CA 3.33Å; R1409-K1418 WeakPolarHBondContact O-CB 3.44Å; K1418-Y1481 PolarHBondContact O-OH 2.85Å; K1418-I1486 HydrophobicContact CB-CD1 4.47Å; K1418-I1486 HydrophobicContact CD-CD1 4.07Å |
| 1419 | V | 92.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 125.9 | 164.9 | 179.2 | 0 | 0 | 0 | 0 | 107.3 | Y1391 A1408 R1409 E1430 L1431 I1432 | Y1391-V1419 HydrophobicContact CE1-CG1 4.48Å; Y1391-V1419 WeakPolarHBondContact OH-CG1 3.44Å; A1408-V1419 VanDerWaalsContact CA-O 3.27Å; A1408-V1419 WeakPolarHBondContact CA-O 3.33Å; R1409-V1419 HydrophobicContact CG-CB 4.02Å; R1409-V1419 PolarHBondContact N-O 3.27Å; R1409-V1419 PolarHBondContact O-N 2.78Å; V1419-E1430 HydrophobicContact CG1-CG 3.84Å; V1419-L1431 WeakPolarHBondContact CA-O 3.47Å; V1419-I1432 HydrophobicContact CG1-CG1 4.01Å; V1419-I1432 HydrophobicContact CG2-CG2 4.46Å |
| 1420 | V | 94.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 125.9 | 179.7 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | I1406 L1422 E1430 L1431 Y1481 I1486 | I1406-V1420 HydrophobicContact CG2-CG1 4.32Å; V1420-L1422 HydrophobicContact CG1-CD1 4.14Å; V1420-E1430 WeakPolarHBondContact O-CA 3.23Å; V1420-L1431 HydrophobicContact CB-CB 4.18Å; V1420-L1431 HydrophobicContact CB-CD1 4.32Å; V1420-L1431 PolarHBondContact N-O 2.77Å; V1420-L1431 PolarHBondContact O-N 3.28Å; V1420-Y1481 HydrophobicContact CG2-CD1 4.18Å; V1420-Y1481 HydrophobicContact CG2-CD2 4Å; V1420-Y1481 HydrophobicContact CG2-CE1 4.29Å; V1420-Y1481 HydrophobicContact CG2-CE2 4.15Å; V1420-Y1481 HydrophobicContact CG2-CG 4.05Å; V1420-I1486 HydrophobicContact CG1-CG2 4.42Å; V1420-I1486 HydrophobicContact CG2-CD1 3.56Å; V1420-I1486 HydrophobicContact CG2-CG1 3.79Å; V1420-I1486 HydrophobicContact CG2-CG2 4.49Å |
| 1421 | K | 94.5 | Very high | 87.4 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 13% | 0.13 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 128.3 | 176 | -177.6 | 177.8 | -61.1 | -153.1 | 0 | 109.8 | Y1391 I1406 M1407 M1423 E1428 I1429 E1430 | Y1391-K1421 HydrophobicContact CD1-CB 4.41Å; Y1391-K1421 HydrophobicContact CE1-CB 3.8Å; Y1391-K1421 VanDerWaalsContact CZ-CE 3.49Å; I1406-K1421 WeakPolarHBondContact CA-O 3.33Å; M1407-K1421 HydrophobicContact CG-CB 3.72Å; M1407-K1421 HydrophobicContact CG-CG 4.32Å; M1407-K1421 PolarHBondContact N-O 3.46Å; M1407-K1421 PolarHBondContact O-N 2.77Å; M1407-K1421 HydrophobicContact SD-CB 4.33Å; M1407-K1421 HydrophobicContact SD-CD 4.05Å; M1407-K1421 HydrophobicContact SD-CG 4.41Å; K1421-M1423 HydrophobicContact CD-CG 4.49Å; K1421-M1423 HydrophobicContact CG-CG 4.35Å; K1421-E1428 HydrophobicContact CD-CG 4.21Å; K1421-E1428 WeakPolarHBondContact CD-OE1 3.45Å; K1421-E1428 VanDerWaalsContact CE-OE1 3.24Å; K1421-E1428 WeakPolarHBondContact CE-OE1 3.21Å; K1421-E1428 HydrophobicContact CG-CG 4.3Å; K1421-E1428 IonicContact NZ-OE1 3.77Å; K1421-E1428 PolarHBondContact NZ-OE1 2.81Å; K1421-I1429 CarbonylContact C-O 3.44Å; K1421-I1429 WeakPolarHBondContact CA-O 3.41Å; K1421-E1430 HydrophobicContact CB-CG 4.32Å; K1421-E1430 WeakPolarHBondContact CE-OE1 3.07Å; K1421-E1430 IonicContact NZ-OE1 3.25Å; K1421-E1430 PolarHBondContact NZ-OE1 3.19Å; K1421-E1430 VanDerWaalsContact NZ-OE1 3.15Å |
| 1422 | L | 94.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 126.1 | 173.2 | -55.8 | 80.8 | 0 | 0 | 0 | 108.2 | A1405 I1406 V1420 I1429 L1431 V1470 L1472 V1479 | A1405-L1422 CarbonylContact O-C 3.53Å; A1405-L1422 WeakPolarHBondContact O-CA 3.35Å; I1406-L1422 HydrophobicContact CG1-CG 4.33Å; V1420-L1422 HydrophobicContact CG1-CD1 4.14Å; L1422-I1429 HydrophobicContact CB-CB 4.26Å; L1422-I1429 HydrophobicContact CD1-CB 4.49Å; L1422-I1429 HydrophobicContact CD1-CG2 4.44Å; L1422-I1429 PolarHBondContact N-O 3.33Å; L1422-I1429 PolarHBondContact O-N 3.43Å; L1422-L1431 HydrophobicContact CD1-CD1 4.21Å; L1422-L1431 HydrophobicContact CD1-CG 4.3Å; L1422-V1470 HydrophobicContact CD2-CB 4.02Å; L1422-V1470 HydrophobicContact CD2-CG1 3.88Å; L1422-L1472 HydrophobicContact CD2-CD1 4.17Å; L1422-V1479 HydrophobicContact CD2-CB 3.85Å; L1422-V1479 HydrophobicContact CD2-CG2 3.48Å; L1422-V1479 VanDerWaalsContact CD2-CG2 3.48Å; L1422-V1479 HydrophobicContact CG-CG2 4.25Å |
| 1423 | M | 90.5 | Very high | 87.9 | Confident | 79 Ų | 79 | 43 Ų | 43 | 39% | 0.389 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137.9 | 173.4 | -55.4 | -159.4 | -51.8 | 0 | 0 | 109.4 | F1404 A1405 M1407 K1421 | F1404-M1423 CarbonylContact C-O 3.45Å; F1404-M1423 WeakPolarHBondContact CA-O 3.27Å; A1405-M1423 HydrophobicContact CB-CB 4.35Å; A1405-M1423 HydrophobicContact CB-CE 4.2Å; A1405-M1423 PolarHBondContact N-O 2.6Å; A1405-M1423 PolarHBondContact O-N 3.31Å; M1407-M1423 HydrophobicContact CE-CE 3.7Å; M1407-M1423 HydrophobicContact CE-CG 4.3Å; M1407-M1423 HydrophobicContact CE-SD 4.1Å; K1421-M1423 HydrophobicContact CD-CG 4.49Å; K1421-M1423 HydrophobicContact CG-CG 4.35Å |
| 1424 | T | 87.1 | Confident | 88.1 | Confident | 29 Ų | 29 | 39.9 Ų | 39.9 | 18% | 0.178 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 176.6 | 168.9 | 59.6 | 0 | 0 | 0 | 0 | 109.1 | D1426 H1427 L1472 | T1424-D1426 PolarHBondContact O-N 2.95Å; T1424-D1426 VanDerWaalsContact O-N 3.14Å; T1424-H1427 PolarHBondContact N-O 2.94Å; T1424-H1427 PolarHBondContact OG1-N 2.88Å; T1424-H1427 VanDerWaalsContact OG1-N 3.15Å; T1424-H1427 PolarHBondContact OG1-O 2.89Å; T1424-H1427 VanDerWaalsContact OG1-O 3.11Å; T1424-L1472 HydrophobicContact CG2-CD1 3.66Å; T1424-L1472 HydrophobicContact CG2-CD2 3.84Å; T1424-L1472 HydrophobicContact CG2-CG 4.29Å |
| 1425 | S | 78.7 | Confident | 87.7 | Confident | 82 Ų | 82 | 48.4 Ų | 48.4 | 57% | 0.573 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -54.1 | -30.7 | 175.5 | -45.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1426 | D | 81.1 | Confident | 87.2 | Confident | 125 Ų | 125 | 48.8 Ų | 48.8 | 67% | 0.668 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -118.4 | -14.7 | -168.8 | -56.8 | -36.2 | 0 | 0 | 0 | 114.2 | T1424 | T1424-D1426 PolarHBondContact O-N 2.95Å; T1424-D1426 VanDerWaalsContact O-N 3.14Å |
| 1427 | H | 86.9 | Confident | 86.7 | Confident | 38 Ų | 38 | 46 Ų | 46 | 18% | 0.176 | 26% | 0.257 | C | S | . | . | trans | -147.9 | 143.9 | -169.6 | -62.1 | -73.1 | 0 | 0 | 0 | 114 | T1424 D1444 H1456 M1459 | T1424-H1427 PolarHBondContact N-O 2.94Å; T1424-H1427 PolarHBondContact OG1-N 2.88Å; T1424-H1427 VanDerWaalsContact OG1-N 3.15Å; T1424-H1427 PolarHBondContact OG1-O 2.89Å; T1424-H1427 VanDerWaalsContact OG1-O 3.11Å; H1427-D1444 VanDerWaalsContact CA-OD1 3.24Å; H1427-D1444 WeakPolarHBondContact CA-OD1 3.36Å; H1427-D1444 IonicContact CE1-OD2 3.67Å; H1427-D1444 IonicContact CG-OD2 2.89Å; H1427-D1444 IonicContact ND1-OD1 3.69Å; H1427-D1444 IonicContact ND1-OD2 3.56Å; H1427-D1444 PolarHBondContact ND1-OD2 3.49Å; H1427-H1456 AromaticContact CE1-CE1 3.78Å; H1427-H1456 AromaticContact CE1-NE2 3.81Å; H1427-H1456 AromaticContact NE2-CE1 3.24Å; H1427-H1456 PolarHBondContact NE2-CE1 3.07Å; H1427-H1456 AromaticContact NE2-NE2 3.72Å; H1427-M1459 HydrophobicContact CB-CE 3.54Å; H1427-M1459 WeakPolarHBondContact CD2-CE 3.22Å | ||
| 1428 | E | 90.3 | Very high | 86.3 | Confident | 76 Ų | 76 | 44.6 Ų | 44.6 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.5 | 167.3 | -177.8 | -179.9 | 168.3 | 0 | 0 | 109.9 | K1421 V1443 D1444 | K1421-E1428 HydrophobicContact CD-CG 4.21Å; K1421-E1428 WeakPolarHBondContact CD-OE1 3.45Å; K1421-E1428 VanDerWaalsContact CE-OE1 3.24Å; K1421-E1428 WeakPolarHBondContact CE-OE1 3.21Å; K1421-E1428 HydrophobicContact CG-CG 4.3Å; K1421-E1428 IonicContact NZ-OE1 3.77Å; K1421-E1428 PolarHBondContact NZ-OE1 2.81Å; E1428-V1443 CarbonylContact O-C 3.47Å; E1428-V1443 WeakPolarHBondContact O-CA 3.35Å; E1428-D1444 PolarHBondContact N-OD1 3.26Å; E1428-D1444 PolarHBondContact O-N 3.42Å |
| 1429 | I | 92 | Very high | 86.2 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 120.4 | -178.9 | -52.9 | 159.8 | 0 | 0 | 0 | 108.8 | K1421 L1422 L1431 V1441 K1442 V1443 M1459 I1461 V1470 L1472 | K1421-I1429 CarbonylContact C-O 3.44Å; K1421-I1429 WeakPolarHBondContact CA-O 3.41Å; L1422-I1429 HydrophobicContact CB-CB 4.26Å; L1422-I1429 HydrophobicContact CD1-CB 4.49Å; L1422-I1429 HydrophobicContact CD1-CG2 4.44Å; L1422-I1429 PolarHBondContact N-O 3.33Å; L1422-I1429 PolarHBondContact O-N 3.43Å; I1429-L1431 HydrophobicContact CG2-CD2 4.42Å; I1429-V1441 HydrophobicContact CG2-CG1 4.39Å; I1429-K1442 CarbonylContact C-O 3.48Å; I1429-K1442 WeakPolarHBondContact CA-O 3.3Å; I1429-V1443 HydrophobicContact CG1-CG1 4.31Å; I1429-V1443 HydrophobicContact CG1-CG2 4.37Å; I1429-V1443 HydrophobicContact CG2-CG2 4.34Å; I1429-M1459 HydrophobicContact CD1-CE 3.87Å; I1429-M1459 HydrophobicContact CD1-SD 3.54Å; I1429-M1459 VanDerWaalsContact CD1-SD 3.54Å; I1429-M1459 HydrophobicContact CG1-CE 4.28Å; I1429-M1459 HydrophobicContact CG1-SD 4.08Å; I1429-I1461 HydrophobicContact CG2-CD1 4.33Å; I1429-V1470 HydrophobicContact CD1-CG1 3.91Å; I1429-V1470 HydrophobicContact CG2-CG2 4.47Å; I1429-L1472 HydrophobicContact CD1-CD2 3.78Å |
| 1430 | E | 93.1 | Very high | 86.1 | Confident | 30 Ų | 30 | 45.3 Ų | 45.3 | 14% | 0.14 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 125.2 | -178.9 | -143 | 174.5 | -145.4 | 0 | 0 | 110.1 | Y1391 V1419 V1420 K1421 I1432 K1442 | Y1391-E1430 PolarHBondContact OH-OE1 2.75Å; V1419-E1430 HydrophobicContact CG1-CG 3.84Å; V1420-E1430 WeakPolarHBondContact O-CA 3.23Å; K1421-E1430 HydrophobicContact CB-CG 4.32Å; K1421-E1430 WeakPolarHBondContact CE-OE1 3.07Å; K1421-E1430 IonicContact NZ-OE1 3.25Å; K1421-E1430 PolarHBondContact NZ-OE1 3.19Å; K1421-E1430 VanDerWaalsContact NZ-OE1 3.15Å; E1430-I1432 HydrophobicContact CG-CG1 4.3Å; E1430-K1442 HydrophobicContact CB-CB 4.24Å; E1430-K1442 PolarHBondContact N-O 2.83Å; E1430-K1442 PolarHBondContact O-N 2.86Å |
| 1431 | L | 93.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 111.9 | 176.4 | -52.2 | -179.8 | 0 | 0 | 0 | 108.5 | V1419 V1420 L1422 I1429 I1439 E1440 V1441 V1468 V1470 Y1481 | V1419-L1431 WeakPolarHBondContact CA-O 3.47Å; V1420-L1431 HydrophobicContact CB-CB 4.18Å; V1420-L1431 HydrophobicContact CB-CD1 4.32Å; V1420-L1431 PolarHBondContact N-O 2.77Å; V1420-L1431 PolarHBondContact O-N 3.28Å; L1422-L1431 HydrophobicContact CD1-CD1 4.21Å; L1422-L1431 HydrophobicContact CD1-CG 4.3Å; I1429-L1431 HydrophobicContact CG2-CD2 4.42Å; L1431-I1439 HydrophobicContact CB-CG2 3.99Å; L1431-E1440 WeakPolarHBondContact CA-O 3.47Å; L1431-V1441 HydrophobicContact CD2-CB 4.38Å; L1431-V1441 HydrophobicContact CD2-CG1 4.07Å; L1431-V1441 HydrophobicContact CD2-CG2 3.85Å; L1431-V1468 HydrophobicContact CD1-CG1 4.32Å; L1431-V1468 HydrophobicContact CD2-CB 4.47Å; L1431-V1468 HydrophobicContact CD2-CG1 3.76Å; L1431-V1470 HydrophobicContact CD1-CG2 4.18Å; L1431-V1470 HydrophobicContact CD2-CG2 4.14Å; L1431-Y1481 HydrophobicContact CB-CD1 3.95Å; L1431-Y1481 HydrophobicContact CB-CE1 4.38Å; L1431-Y1481 HydrophobicContact CD1-CD1 4.09Å; L1431-Y1481 HydrophobicContact CD1-CG 4.41Å |
| 1432 | I | 91.5 | Very high | 85.7 | Confident | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.097 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 122.2 | -172.5 | -54.3 | 168 | 0 | 0 | 0 | 109 | V1419 E1430 I1439 E1440 K1442 | V1419-I1432 HydrophobicContact CG1-CG1 4.01Å; V1419-I1432 HydrophobicContact CG2-CG2 4.46Å; E1430-I1432 HydrophobicContact CG-CG1 4.3Å; I1432-I1439 CarbonylContact O-C 3.58Å; I1432-I1439 WeakPolarHBondContact O-CA 3.22Å; I1432-E1440 HydrophobicContact CB-CB 4.24Å; I1432-E1440 PolarHBondContact N-O 3.42Å; I1432-E1440 PolarHBondContact O-N 2.91Å; I1432-K1442 HydrophobicContact CD1-CD 3.79Å; I1432-K1442 HydrophobicContact CD1-CG 4.37Å |
| 1433 | P | 89.1 | Confident | 85.5 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.032 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 132.9 | 176.8 | 27 | -32.3 | 0 | 0 | 0 | 111.5 | Q1414 K1417 | Q1414-P1433 VanDerWaalsContact NE2-C 3.26Å; Q1414-P1433 PolarHBondContact NE2-O 2.91Å; K1417-P1433 HydrophobicContact CB-CB 3.98Å; K1417-P1433 HydrophobicContact CB-CG 3.57Å; K1417-P1433 HydrophobicContact CG-CB 4.2Å; K1417-P1433 HydrophobicContact CG-CG 4.28Å |
| 1434 | E | 84 | Confident | 85.4 | Confident | 56 Ų | 56 | 47.4 Ų | 47.4 | 26% | 0.262 | 27% | 0.27 | S | S | . | . | trans | -94.2 | 147.5 | 179.4 | -67.2 | 179.1 | 164.5 | 0 | 0 | 111.7 | Q1414 G1436 G1437 G1438 E1440 R1447 | Q1414-E1434 PolarHBondContact NE2-O 2.99Å; E1434-G1436 PolarHBondContact O-N 3.07Å; E1434-G1437 PolarHBondContact O-N 3.38Å; E1434-G1438 PolarHBondContact N-O 3.07Å; E1434-E1440 HydrophobicContact CG-CB 4.04Å; E1434-R1447 IonicContact OE1-CZ 3.09Å; E1434-R1447 IonicContact OE1-NH2 2.76Å; E1434-R1447 PolarHBondContact OE1-NH2 3.46Å | ||
| 1435 | R | 74.9 | Confident | 85.2 | Confident | 203 Ų | 203 | 49.2 Ų | 49.2 | 77% | 0.766 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -21.8 | -176.6 | -78.5 | -175.8 | -179.4 | 179.1 | 0.8 | 114.3 | Q1414 | Q1414-R1435 HydrophobicContact CG-CG 4.42Š|
| 1436 | G | 68.6 | Low | 85.6 | Confident | 79 Ų | 79 | 50.9 Ų | 50.9 | 81% | 0.814 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 7.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | E1434 | E1434-G1436 PolarHBondContact O-N 3.07Š|
| 1437 | G | 67.6 | Low | 85.9 | Confident | 53 Ų | 53 | 52.1 Ų | 52.1 | 55% | 0.546 | 29% | 0.288 | S | S | . | . | S | Bend | trans | 80.8 | 106.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | E1434 | E1434-G1437 PolarHBondContact O-N 3.38Š|
| 1438 | G | 79.3 | Confident | 85.8 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 13% | 0.134 | 29% | 0.287 | C | S | . | . | trans | 153.8 | 162.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1434 | E1434-G1438 PolarHBondContact N-O 3.07Š| ||
| 1439 | I | 87.8 | Confident | 84.9 | Confident | 3 Ų | 3 | 52.5 Ų | 52.5 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 115.1 | 177.5 | -58.2 | 166 | 0 | 0 | 0 | 107.8 | L1431 I1432 K1463 V1468 Y1481 | L1431-I1439 HydrophobicContact CB-CG2 3.99Å; I1432-I1439 CarbonylContact O-C 3.58Å; I1432-I1439 WeakPolarHBondContact O-CA 3.22Å; I1439-K1463 VanDerWaalsContact O-CE 3.26Å; I1439-K1463 WeakPolarHBondContact O-CE 3.16Å; I1439-K1463 PolarHBondContact O-NZ 3.35Å; I1439-V1468 HydrophobicContact CB-CG2 3.68Å; I1439-V1468 HydrophobicContact CD1-CB 4.27Å; I1439-V1468 HydrophobicContact CD1-CG2 3.97Å; I1439-V1468 HydrophobicContact CG1-CG2 4.42Å; I1439-V1468 HydrophobicContact CG2-CB 4.34Å; I1439-V1468 HydrophobicContact CG2-CG2 3.72Å; I1439-Y1481 HydrophobicContact CD1-CD1 3.77Å; I1439-Y1481 HydrophobicContact CD1-CE1 4.08Å; I1439-Y1481 HydrophobicContact CD1-CG 4.45Å; I1439-Y1481 VanDerWaalsContact CD1-O 3.28Å; I1439-Y1481 WeakPolarHBondContact CD1-O 3.36Å; I1439-Y1481 HydrophobicContact CG1-CD1 4.37Å; I1439-Y1481 HydrophobicContact CG1-CE1 4.27Å; I1439-Y1481 HydrophobicContact CG2-CD1 4.12Å; I1439-Y1481 HydrophobicContact CG2-CE1 4.24Å |
| 1440 | E | 88.6 | Confident | 83.7 | Confident | 30 Ų | 30 | 57 Ų | 57 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 134.3 | 168.9 | -174.3 | -175.6 | -166.4 | 0 | 0 | 109.1 | L1431 I1432 E1434 K1442 R1447 | L1431-E1440 WeakPolarHBondContact CA-O 3.47Å; I1432-E1440 HydrophobicContact CB-CB 4.24Å; I1432-E1440 PolarHBondContact N-O 3.42Å; I1432-E1440 PolarHBondContact O-N 2.91Å; E1434-E1440 HydrophobicContact CG-CB 4.04Å; E1440-K1442 HydrophobicContact CG-CG 4.47Å; E1440-K1442 WeakPolarHBondContact OE1-CE 3.45Å; E1440-K1442 IonicContact OE1-NZ 3.04Å; E1440-K1442 WeakPolarHBondContact OE2-CE 3.39Å; E1440-K1442 IonicContact OE2-NZ 3.18Å; E1440-R1447 HydrophobicContact CG-CG 3.99Å; E1440-R1447 WeakPolarHBondContact OE1-CD 3.29Å; E1440-R1447 WeakPolarHBondContact OE1-CG 3.26Å; E1440-R1447 IonicContact OE1-CZ 3.11Å; E1440-R1447 IonicContact OE1-NE 2.73Å; E1440-R1447 PolarHBondContact OE1-NE 3.09Å |
| 1441 | V | 90.1 | Very high | 82.3 | Confident | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 117.9 | 176.4 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | I1429 L1431 V1443 W1448 I1461 V1468 | I1429-V1441 HydrophobicContact CG2-CG1 4.39Å; L1431-V1441 HydrophobicContact CD2-CB 4.38Å; L1431-V1441 HydrophobicContact CD2-CG1 4.07Å; L1431-V1441 HydrophobicContact CD2-CG2 3.85Å; V1441-V1443 HydrophobicContact CG1-CG2 4.24Å; V1441-W1448 PolarHBondContact O-N 3.17Å; V1441-I1461 HydrophobicContact CG1-CD1 3.9Å; V1441-I1461 HydrophobicContact CG1-CG2 4.24Å; V1441-I1461 HydrophobicContact CG2-CG2 4.4Å; V1441-V1468 HydrophobicContact CG2-CG1 4.08Å; V1441-V1468 HydrophobicContact CG2-CG2 4.06Å |
| 1442 | K | 91 | Very high | 81 | Confident | 61 Ų | 61 | 66.9 Ų | 66.9 | 27% | 0.265 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.8 | 170.9 | -65 | -177.9 | -175.6 | 171.1 | 0 | 109.2 | I1429 E1430 I1432 E1440 Q1446 | I1429-K1442 CarbonylContact C-O 3.48Å; I1429-K1442 WeakPolarHBondContact CA-O 3.3Å; E1430-K1442 HydrophobicContact CB-CB 4.24Å; E1430-K1442 PolarHBondContact N-O 2.83Å; E1430-K1442 PolarHBondContact O-N 2.86Å; I1432-K1442 HydrophobicContact CD1-CD 3.79Å; I1432-K1442 HydrophobicContact CD1-CG 4.37Å; E1440-K1442 HydrophobicContact CG-CG 4.47Å; E1440-K1442 WeakPolarHBondContact OE1-CE 3.45Å; E1440-K1442 IonicContact OE1-NZ 3.04Å; E1440-K1442 WeakPolarHBondContact OE2-CE 3.39Å; E1440-K1442 IonicContact OE2-NZ 3.18Å; K1442-Q1446 CarbonylContact C-O 3.53Å; K1442-Q1446 WeakPolarHBondContact CA-O 3.31Å |
| 1443 | V | 89.5 | Confident | 79.5 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 121.5 | 171.7 | -175.3 | 0 | 0 | 0 | 0 | 107 | E1428 I1429 V1441 G1445 Q1446 W1448 M1459 I1461 | E1428-V1443 CarbonylContact O-C 3.47Å; E1428-V1443 WeakPolarHBondContact O-CA 3.35Å; I1429-V1443 HydrophobicContact CG1-CG1 4.31Å; I1429-V1443 HydrophobicContact CG1-CG2 4.37Å; I1429-V1443 HydrophobicContact CG2-CG2 4.34Å; V1441-V1443 HydrophobicContact CG1-CG2 4.24Å; V1443-G1445 PolarHBondContact O-N 2.79Å; V1443-Q1446 PolarHBondContact N-O 2.72Å; V1443-Q1446 PolarHBondContact O-N 3.01Å; V1443-W1448 HydrophobicContact CB-CD2 3.9Å; V1443-W1448 HydrophobicContact CB-CE3 4.47Å; V1443-W1448 HydrophobicContact CB-CG 4.24Å; V1443-W1448 HydrophobicContact CB-CH2 4.36Å; V1443-W1448 HydrophobicContact CB-CZ2 3.79Å; V1443-W1448 HydrophobicContact CG1-CH2 4.1Å; V1443-W1448 HydrophobicContact CG1-CZ2 3.68Å; V1443-W1448 HydrophobicContact CG2-CD2 3.52Å; V1443-W1448 HydrophobicContact CG2-CE3 3.71Å; V1443-W1448 HydrophobicContact CG2-CG 3.95Å; V1443-W1448 HydrophobicContact CG2-CH2 4.16Å; V1443-W1448 HydrophobicContact CG2-CZ2 4.01Å; V1443-W1448 HydrophobicContact CG2-CZ3 4.03Å; V1443-M1459 HydrophobicContact CG1-CE 4.29Å; V1443-M1459 HydrophobicContact CG1-SD 4.39Å; V1443-I1461 HydrophobicContact CG2-CD1 3.79Å |
| 1444 | D | 88.6 | Confident | 77.9 | Confident | 86 Ų | 86 | 73 Ų | 73 | 46% | 0.46 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 40.5 | -177.6 | -52.6 | -38.5 | 0 | 0 | 0 | 112.8 | H1427 E1428 Q1446 | H1427-D1444 VanDerWaalsContact CA-OD1 3.24Å; H1427-D1444 WeakPolarHBondContact CA-OD1 3.36Å; H1427-D1444 IonicContact CE1-OD2 3.67Å; H1427-D1444 IonicContact CG-OD2 2.89Å; H1427-D1444 IonicContact ND1-OD1 3.69Å; H1427-D1444 IonicContact ND1-OD2 3.56Å; H1427-D1444 PolarHBondContact ND1-OD2 3.49Å; E1428-D1444 PolarHBondContact N-OD1 3.26Å; E1428-D1444 PolarHBondContact O-N 3.42Å; D1444-Q1446 PolarHBondContact O-N 2.85Å |
| 1445 | G | 84.5 | Confident | 76.7 | Confident | 67 Ų | 67 | 78.3 Ų | 78.3 | 69% | 0.691 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -8.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | V1443 | V1443-G1445 PolarHBondContact O-N 2.79Š|
| 1446 | Q | 86.9 | Confident | 76.5 | Confident | 118 Ų | 118 | 71.2 Ų | 71.2 | 55% | 0.551 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.2 | 177.8 | -169.8 | 177 | 6.4 | 0 | 0 | 111.3 | K1442 V1443 D1444 W1448 | K1442-Q1446 CarbonylContact C-O 3.53Å; K1442-Q1446 WeakPolarHBondContact CA-O 3.31Å; V1443-Q1446 PolarHBondContact N-O 2.72Å; V1443-Q1446 PolarHBondContact O-N 3.01Å; D1444-Q1446 PolarHBondContact O-N 2.85Å; Q1446-W1448 PolarHBondContact O-N 3.27Å |
| 1447 | R | 87.2 | Confident | 76.4 | Confident | 150 Ų | 150 | 78.8 Ų | 78.8 | 57% | 0.566 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 124.2 | 172.4 | -168 | 179 | -172.8 | 175.9 | 3.2 | 109.7 | E1434 E1440 | E1434-R1447 IonicContact OE1-CZ 3.09Å; E1434-R1447 IonicContact OE1-NH2 2.76Å; E1434-R1447 PolarHBondContact OE1-NH2 3.46Å; E1440-R1447 HydrophobicContact CG-CG 3.99Å; E1440-R1447 WeakPolarHBondContact OE1-CD 3.29Å; E1440-R1447 WeakPolarHBondContact OE1-CG 3.26Å; E1440-R1447 IonicContact OE1-CZ 3.11Å; E1440-R1447 IonicContact OE1-NE 2.73Å; E1440-R1447 PolarHBondContact OE1-NE 3.09Å |
| 1448 | W | 83.6 | Confident | 76.4 | Confident | 38 Ų | 38 | 78 Ų | 78 | 14% | 0.144 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -96.5 | 138.5 | 177.3 | -83.9 | 20.9 | 0 | 0 | 0 | 111.7 | V1441 V1443 Q1446 Q1452 H1456 M1459 I1461 | V1441-W1448 PolarHBondContact O-N 3.17Å; V1443-W1448 HydrophobicContact CB-CD2 3.9Å; V1443-W1448 HydrophobicContact CB-CE3 4.47Å; V1443-W1448 HydrophobicContact CB-CG 4.24Å; V1443-W1448 HydrophobicContact CB-CH2 4.36Å; V1443-W1448 HydrophobicContact CB-CZ2 3.79Å; V1443-W1448 HydrophobicContact CG1-CH2 4.1Å; V1443-W1448 HydrophobicContact CG1-CZ2 3.68Å; V1443-W1448 HydrophobicContact CG2-CD2 3.52Å; V1443-W1448 HydrophobicContact CG2-CE3 3.71Å; V1443-W1448 HydrophobicContact CG2-CG 3.95Å; V1443-W1448 HydrophobicContact CG2-CH2 4.16Å; V1443-W1448 HydrophobicContact CG2-CZ2 4.01Å; V1443-W1448 HydrophobicContact CG2-CZ3 4.03Å; Q1446-W1448 PolarHBondContact O-N 3.27Å; W1448-Q1452 HydrophobicContact CB-CB 4.34Å; W1448-Q1452 HydrophobicContact CD2-CB 4.1Å; W1448-Q1452 HydrophobicContact CE3-CB 4.36Å; W1448-Q1452 HydrophobicContact CG-CB 4.11Å; W1448-H1456 HydrophobicContact CH2-CB 4.03Å; W1448-H1456 AromaticContact CH2-CD2 3.7Å; W1448-H1456 AromaticContact CH2-CG 3.93Å; W1448-H1456 HydrophobicContact CZ3-CB 4.32Å; W1448-M1459 HydrophobicContact CH2-SD 4.26Å; W1448-M1459 HydrophobicContact CZ3-SD 4.4Å; W1448-I1461 HydrophobicContact CE3-CD1 3.99Å; W1448-I1461 HydrophobicContact CZ3-CD1 3.98Å |
| 1449 | D | 72.2 | Confident | 76.6 | Confident | 85 Ų | 85 | 77.6 Ų | 77.6 | 46% | 0.455 | 38% | 0.375 | S | S | . | . | trans | -87.6 | 174.8 | 168.9 | 69.8 | 27.9 | 0 | 0 | 0 | 112.6 | Q1451 Q1452 S1453 | D1449-Q1451 PolarHBondContact O-N 2.72Å; D1449-Q1451 WeakPolarHBondContact OD1-CA 3.43Å; D1449-Q1451 WeakPolarHBondContact OD1-CB 3.44Å; D1449-Q1451 PolarHBondContact OD1-N 3.26Å; D1449-Q1452 PolarHBondContact O-N 3.42Å; D1449-Q1452 WeakPolarHBondContact OD1-CG 3.46Å; D1449-Q1452 PolarHBondContact OD1-N 3.48Å; D1449-S1453 PolarHBondContact O-N 3Å; D1449-S1453 PolarHBondContact O-OG 3.5Å | ||
| 1450 | D | 66.4 | Low | 76.3 | Confident | 93 Ų | 93 | 82.2 Ų | 82.2 | 50% | 0.497 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.7 | -178.8 | -77 | -16.5 | 0 | 0 | 0 | 114 | ||
| 1451 | Q | 64 | Low | 76.2 | Confident | 159 Ų | 159 | 80.9 Ų | 80.9 | 74% | 0.743 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -42.7 | 179 | -70.8 | -165.8 | -10.5 | 0 | 0 | 111.6 | D1449 S1453 K1454 | D1449-Q1451 PolarHBondContact O-N 2.72Å; D1449-Q1451 WeakPolarHBondContact OD1-CA 3.43Å; D1449-Q1451 WeakPolarHBondContact OD1-CB 3.44Å; D1449-Q1451 PolarHBondContact OD1-N 3.26Å; Q1451-S1453 VanDerWaalsContact C-N 3.29Å; Q1451-S1453 PolarHBondContact O-N 3.33Å; Q1451-K1454 PolarHBondContact O-N 2.87Å |
| 1452 | Q | 64.9 | Low | 75.9 | Confident | 80 Ų | 80 | 87.4 Ų | 87.4 | 37% | 0.374 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -63.5 | -35.5 | 177.5 | -69.2 | 176.5 | -36.6 | 0 | 0 | 111.8 | W1448 D1449 K1454 | W1448-Q1452 HydrophobicContact CB-CB 4.34Å; W1448-Q1452 HydrophobicContact CD2-CB 4.1Å; W1448-Q1452 HydrophobicContact CE3-CB 4.36Å; W1448-Q1452 HydrophobicContact CG-CB 4.11Å; D1449-Q1452 PolarHBondContact O-N 3.42Å; D1449-Q1452 WeakPolarHBondContact OD1-CG 3.46Å; D1449-Q1452 PolarHBondContact OD1-N 3.48Å; Q1452-K1454 VanDerWaalsContact C-N 3.3Å; Q1452-K1454 PolarHBondContact O-N 2.04Å |
| 1453 | S | 60.4 | Low | 75.3 | Confident | 5 Ų | 5 | 88.1 Ų | 88.1 | 4% | 0.035 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -64.6 | -23.1 | -179 | -62.9 | 0 | 0 | 0 | 0 | 115.6 | D1449 Q1451 I1461 | D1449-S1453 PolarHBondContact O-N 3Å; D1449-S1453 PolarHBondContact O-OG 3.5Å; Q1451-S1453 VanDerWaalsContact C-N 3.29Å; Q1451-S1453 PolarHBondContact O-N 3.33Å; S1453-I1461 PolarHBondContact O-N 3Å |
| 1454 | K | 57 | Low | 74.5 | Confident | 148 Ų | 148 | 96.6 Ų | 96.6 | 64% | 0.643 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -91 | -17.3 | -172.5 | -75.3 | 173.4 | -177 | 163.9 | 0 | 115 | Q1451 Q1452 | Q1451-K1454 PolarHBondContact O-N 2.87Å; Q1452-K1454 VanDerWaalsContact C-N 3.3Å; Q1452-K1454 PolarHBondContact O-N 2.04Å |
| 1455 | H | 58.7 | Low | 73.6 | Confident | 166 Ų | 166 | 100.9 Ų | 100.9 | 77% | 0.769 | 46% | 0.462 | S | S | * | . | trans | -116.4 | 9.9 | -166.4 | -73.8 | 90.3 | 0 | 0 | 0 | 116.4 | ||||
| 1456 | H | 69.3 | Low | 73.4 | Confident | 54 Ų | 54 | 102.3 Ų | 102.3 | 25% | 0.25 | 45% | 0.454 | C | S | . | . | trans | -75.8 | 139.9 | -179.2 | -157 | -94.9 | 0 | 0 | 0 | 113.4 | H1427 W1448 A1458 M1459 | H1427-H1456 AromaticContact CE1-CE1 3.78Å; H1427-H1456 AromaticContact CE1-NE2 3.81Å; H1427-H1456 AromaticContact NE2-CE1 3.24Å; H1427-H1456 PolarHBondContact NE2-CE1 3.07Å; H1427-H1456 AromaticContact NE2-NE2 3.72Å; W1448-H1456 HydrophobicContact CH2-CB 4.03Å; W1448-H1456 AromaticContact CH2-CD2 3.7Å; W1448-H1456 AromaticContact CH2-CG 3.93Å; W1448-H1456 HydrophobicContact CZ3-CB 4.32Å; H1456-A1458 PolarHBondContact ND1-N 2.94Å; H1456-M1459 CarbonylContact C-O 3.54Å; H1456-M1459 HydrophobicContact CB-CG 3.95Å | ||
| 1457 | R | 66.6 | Low | 73.3 | Confident | 238 Ų | 238 | 99.4 Ų | 99.4 | 90% | 0.898 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -71.8 | -42.3 | -176.5 | -83 | -175.6 | 176.2 | -171.2 | 0.7 | 112.7 | ||
| 1458 | A | 68.6 | Low | 73.5 | Confident | 38 Ų | 38 | 92.3 Ų | 92.3 | 31% | 0.314 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -90.9 | -23.3 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | H1456 K1473 | H1456-A1458 PolarHBondContact ND1-N 2.94Å; A1458-K1473 WeakPolarHBondContact O-CB 3.43Å; A1458-K1473 PolarHBondContact O-N 3.39Å; A1458-K1473 VanDerWaalsContact O-N 3.13Å |
| 1459 | M | 82.2 | Confident | 73.8 | Confident | 3 Ų | 3 | 92.4 Ų | 92.4 | 2% | 0.015 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 161.9 | -176.6 | 73.3 | -177.1 | 75.6 | 0 | 0 | 110.6 | H1427 I1429 V1443 W1448 H1456 I1461 D1471 L1472 | H1427-M1459 HydrophobicContact CB-CE 3.54Å; H1427-M1459 WeakPolarHBondContact CD2-CE 3.22Å; I1429-M1459 HydrophobicContact CD1-CE 3.87Å; I1429-M1459 HydrophobicContact CD1-SD 3.54Å; I1429-M1459 VanDerWaalsContact CD1-SD 3.54Å; I1429-M1459 HydrophobicContact CG1-CE 4.28Å; I1429-M1459 HydrophobicContact CG1-SD 4.08Å; V1443-M1459 HydrophobicContact CG1-CE 4.29Å; V1443-M1459 HydrophobicContact CG1-SD 4.39Å; W1448-M1459 HydrophobicContact CH2-SD 4.26Å; W1448-M1459 HydrophobicContact CZ3-SD 4.4Å; H1456-M1459 CarbonylContact C-O 3.54Å; H1456-M1459 HydrophobicContact CB-CG 3.95Å; M1459-I1461 HydrophobicContact SD-CD1 4.03Å; M1459-I1461 HydrophobicContact SD-CG1 4.45Å; M1459-D1471 CarbonylContact C-O 3.47Å; M1459-D1471 VanDerWaalsContact CA-O 3.29Å; M1459-D1471 WeakPolarHBondContact CA-O 3.23Å; M1459-L1472 HydrophobicContact CB-CD2 4.08Å |
| 1460 | R | 82.8 | Confident | 74.7 | Confident | 101 Ų | 101 | 88.4 Ų | 88.4 | 38% | 0.381 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 123.3 | 171.5 | -178.8 | -177 | -176 | 161.1 | 8.4 | 109.1 | R1462 D1471 | R1460-R1462 VanDerWaalsContact CZ-CZ 3.46Å; R1460-R1462 VanDerWaalsContact NH2-NH2 3.15Å; R1460-D1471 HydrophobicContact CB-CB 4.29Å; R1460-D1471 PolarHBondContact N-O 3.38Å; R1460-D1471 PolarHBondContact O-N 3.08Å |
| 1461 | I | 85.3 | Confident | 75.7 | Confident | 2 Ų | 2 | 86.4 Ų | 86.4 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.8 | 178.6 | -59.8 | 175.5 | 0 | 0 | 0 | 107.9 | I1429 V1441 V1443 W1448 S1453 M1459 V1468 T1469 V1470 | I1429-I1461 HydrophobicContact CG2-CD1 4.33Å; V1441-I1461 HydrophobicContact CG1-CD1 3.9Å; V1441-I1461 HydrophobicContact CG1-CG2 4.24Å; V1441-I1461 HydrophobicContact CG2-CG2 4.4Å; V1443-I1461 HydrophobicContact CG2-CD1 3.79Å; W1448-I1461 HydrophobicContact CE3-CD1 3.99Å; W1448-I1461 HydrophobicContact CZ3-CD1 3.98Å; S1453-I1461 PolarHBondContact O-N 3Å; M1459-I1461 HydrophobicContact SD-CD1 4.03Å; M1459-I1461 HydrophobicContact SD-CG1 4.45Å; I1461-V1468 HydrophobicContact CG2-CG1 4.04Å; I1461-T1469 CarbonylContact C-O 3.42Å; I1461-T1469 WeakPolarHBondContact CA-O 3.47Å; I1461-V1470 HydrophobicContact CG1-CG1 4.25Å; I1461-V1470 HydrophobicContact CG1-CG2 4.33Å |
| 1462 | R | 84.5 | Confident | 76.8 | Confident | 142 Ų | 142 | 79 Ų | 79 | 54% | 0.536 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 107.8 | 177.5 | -78.2 | 176.4 | 142.1 | 150.3 | -9.9 | 108.5 | R1460 V1468 T1469 | R1460-R1462 VanDerWaalsContact CZ-CZ 3.46Å; R1460-R1462 VanDerWaalsContact NH2-NH2 3.15Å; R1462-V1468 CarbonylContact O-C 3.47Å; R1462-V1468 WeakPolarHBondContact O-CA 3.31Å; R1462-T1469 PolarHBondContact N-O 3.42Å; R1462-T1469 PolarHBondContact O-N 2.61Å |
| 1463 | K | 77.7 | Confident | 77.5 | Confident | 76 Ų | 76 | 80 Ų | 80 | 33% | 0.33 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 134 | 170.9 | -172.5 | 169.7 | 173.2 | 170 | 0 | 109.6 | I1439 V1468 | I1439-K1463 VanDerWaalsContact O-CE 3.26Å; I1439-K1463 WeakPolarHBondContact O-CE 3.16Å; I1439-K1463 PolarHBondContact O-NZ 3.35Å; K1463-V1468 HydrophobicContact CB-CG2 4.27Å; K1463-V1468 HydrophobicContact CG-CG2 4.03Å |
| 1464 | R | 72.6 | Confident | 78.1 | Confident | 180 Ų | 180 | 90.8 Ų | 90.8 | 68% | 0.679 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 156.7 | 164.7 | -86.3 | 171.6 | 166.9 | -169.6 | -4 | 106.3 | N1466 E1467 | R1464-N1466 PolarHBondContact O-N 3.5Å; R1464-E1467 HydrophobicContact CB-CG 3.58Å; R1464-E1467 WeakPolarHBondContact CD-OE1 3.13Å; R1464-E1467 PolarHBondContact N-O 3.49Å; R1464-E1467 IonicContact NE-OE1 3.43Å; R1464-E1467 IonicContact NH1-OE1 2.79Å; R1464-E1467 PolarHBondContact NH1-OE1 3.45Å; R1464-E1467 PolarHBondContact O-N 3.15Å |
| 1465 | E | 69.5 | Low | 79.2 | Confident | 176 Ų | 176 | 83.9 Ų | 83.9 | 82% | 0.822 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -29.2 | -52.7 | -165.6 | -72 | 177.2 | 161.3 | 0 | 0 | 115.1 | ||
| 1466 | N | 80.2 | Confident | 80.4 | Confident | 97 Ų | 97 | 78 Ų | 78 | 52% | 0.519 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.7 | 11.5 | 179.1 | -62.2 | -29 | 0 | 0 | 0 | 115.3 | R1464 D1482 | R1464-N1466 PolarHBondContact O-N 3.5Å; N1466-D1482 CarbonylContact O-C 3.5Å; N1466-D1482 VanDerWaalsContact O-C 3.26Å; N1466-D1482 VanDerWaalsContact O-CA 3.32Å; N1466-D1482 WeakPolarHBondContact O-CA 3.49Å; N1466-D1482 VanDerWaalsContact O-O 3.1Å |
| 1467 | E | 86.6 | Confident | 81.3 | Confident | 57 Ų | 57 | 75.4 Ų | 75.4 | 27% | 0.266 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 139.3 | -178.4 | 67.1 | 177.4 | -172.6 | 0 | 0 | 112.9 | R1464 H1480 Y1481 D1482 | R1464-E1467 HydrophobicContact CB-CG 3.58Å; R1464-E1467 WeakPolarHBondContact CD-OE1 3.13Å; R1464-E1467 PolarHBondContact N-O 3.49Å; R1464-E1467 IonicContact NE-OE1 3.43Å; R1464-E1467 IonicContact NH1-OE1 2.79Å; R1464-E1467 PolarHBondContact NH1-OE1 3.45Å; R1464-E1467 PolarHBondContact O-N 3.15Å; E1467-H1480 IonicContact OE2-CE1 3.95Å; E1467-H1480 PolarHBondContact OE2-CE1 3.13Å; E1467-H1480 VanDerWaalsContact OE2-CE1 3.26Å; E1467-H1480 IonicContact OE2-NE2 2.64Å; E1467-Y1481 CarbonylContact C-O 3.54Å; E1467-Y1481 WeakPolarHBondContact CA-O 3.4Å; E1467-D1482 HydrophobicContact CB-CB 4.33Å |
| 1468 | V | 89.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.4 | 173.9 | 176.9 | 0 | 0 | 0 | 0 | 110 | L1431 I1439 V1441 I1461 R1462 K1463 V1470 Y1481 | L1431-V1468 HydrophobicContact CD1-CG1 4.32Å; L1431-V1468 HydrophobicContact CD2-CB 4.47Å; L1431-V1468 HydrophobicContact CD2-CG1 3.76Å; I1439-V1468 HydrophobicContact CB-CG2 3.68Å; I1439-V1468 HydrophobicContact CD1-CB 4.27Å; I1439-V1468 HydrophobicContact CD1-CG2 3.97Å; I1439-V1468 HydrophobicContact CG1-CG2 4.42Å; I1439-V1468 HydrophobicContact CG2-CB 4.34Å; I1439-V1468 HydrophobicContact CG2-CG2 3.72Å; V1441-V1468 HydrophobicContact CG2-CG1 4.08Å; V1441-V1468 HydrophobicContact CG2-CG2 4.06Å; I1461-V1468 HydrophobicContact CG2-CG1 4.04Å; R1462-V1468 CarbonylContact O-C 3.47Å; R1462-V1468 WeakPolarHBondContact O-CA 3.31Å; K1463-V1468 HydrophobicContact CB-CG2 4.27Å; K1463-V1468 HydrophobicContact CG-CG2 4.03Å; V1468-V1470 HydrophobicContact CG1-CG2 4.09Å; V1468-Y1481 PolarHBondContact N-O 2.92Å; V1468-Y1481 PolarHBondContact O-N 3.04Å |
| 1469 | T | 90.7 | Very high | 83.6 | Confident | 41 Ų | 41 | 63.6 Ų | 63.6 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123 | 170.6 | -51.4 | 0 | 0 | 0 | 0 | 110.1 | I1461 R1462 V1479 H1480 | I1461-T1469 CarbonylContact C-O 3.42Å; I1461-T1469 WeakPolarHBondContact CA-O 3.47Å; R1462-T1469 PolarHBondContact N-O 3.42Å; R1462-T1469 PolarHBondContact O-N 2.61Å; T1469-V1479 CarbonylContact C-O 3.52Å; T1469-V1479 WeakPolarHBondContact CA-O 3.41Å; T1469-H1480 PolarHBondContact OG1-ND1 3.15Å |
| 1470 | V | 90.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 116.1 | 175.4 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | L1422 I1429 L1431 I1461 V1468 L1472 D1478 V1479 | L1422-V1470 HydrophobicContact CD2-CB 4.02Å; L1422-V1470 HydrophobicContact CD2-CG1 3.88Å; I1429-V1470 HydrophobicContact CD1-CG1 3.91Å; I1429-V1470 HydrophobicContact CG2-CG2 4.47Å; L1431-V1470 HydrophobicContact CD1-CG2 4.18Å; L1431-V1470 HydrophobicContact CD2-CG2 4.14Å; I1461-V1470 HydrophobicContact CG1-CG1 4.25Å; I1461-V1470 HydrophobicContact CG1-CG2 4.33Å; V1468-V1470 HydrophobicContact CG1-CG2 4.09Å; V1470-L1472 HydrophobicContact CG1-CD2 4.02Å; V1470-L1472 HydrophobicContact CG1-CG 4.36Å; V1470-D1478 WeakPolarHBondContact O-CA 3.3Å; V1470-V1479 PolarHBondContact N-O 3.15Å; V1470-V1479 PolarHBondContact O-N 2.96Å |
| 1471 | D | 87.9 | Confident | 84.7 | Confident | 51 Ų | 51 | 61.4 Ų | 61.4 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 104.9 | 177.6 | 175.7 | 13.8 | 0 | 0 | 0 | 109.6 | M1459 R1460 K1473 | M1459-D1471 CarbonylContact C-O 3.47Å; M1459-D1471 VanDerWaalsContact CA-O 3.29Å; M1459-D1471 WeakPolarHBondContact CA-O 3.23Å; R1460-D1471 HydrophobicContact CB-CB 4.29Å; R1460-D1471 PolarHBondContact N-O 3.38Å; R1460-D1471 PolarHBondContact O-N 3.08Å; D1471-K1473 PolarHBondContact O-N 2.79Å |
| 1472 | L | 86.8 | Confident | 84.7 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 96.6 | 177.2 | -56.8 | 174.5 | 0 | 0 | 0 | 108.7 | L1422 T1424 I1429 M1459 V1470 R1474 P1475 N1476 V1477 | L1422-L1472 HydrophobicContact CD2-CD1 4.17Å; T1424-L1472 HydrophobicContact CG2-CD1 3.66Å; T1424-L1472 HydrophobicContact CG2-CD2 3.84Å; T1424-L1472 HydrophobicContact CG2-CG 4.29Å; I1429-L1472 HydrophobicContact CD1-CD2 3.78Å; M1459-L1472 HydrophobicContact CB-CD2 4.08Å; V1470-L1472 HydrophobicContact CG1-CD2 4.02Å; V1470-L1472 HydrophobicContact CG1-CG 4.36Å; L1472-R1474 PolarHBondContact O-N 3.43Å; L1472-P1475 VanDerWaalsContact CB-CD 3.45Å; L1472-N1476 WeakPolarHBondContact O-CA 3.12Å; L1472-N1476 PolarHBondContact O-N 3.03Å; L1472-V1477 HydrophobicContact CB-CB 4.49Å; L1472-V1477 WeakPolarHBondContact CB-O 3.42Å; L1472-V1477 HydrophobicContact CD1-CB 4.36Å; L1472-V1477 PolarHBondContact N-O 3.38Å; L1472-V1477 PolarHBondContact O-N 2.84Å; L1472-V1477 VanDerWaalsContact O-N 3.17Å |
| 1473 | K | 78.9 | Confident | 84.6 | Confident | 101 Ų | 101 | 57.5 Ų | 57.5 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -33.1 | -172.7 | -64.6 | 178.5 | -175.3 | 161.4 | 0 | 113.3 | A1458 D1471 N1476 | A1458-K1473 WeakPolarHBondContact O-CB 3.43Å; A1458-K1473 PolarHBondContact O-N 3.39Å; A1458-K1473 VanDerWaalsContact O-N 3.13Å; D1471-K1473 PolarHBondContact O-N 2.79Å; K1473-N1476 PolarHBondContact O-N 3.14Å |
| 1474 | R | 74.9 | Confident | 84.8 | Confident | 231 Ų | 231 | 58.5 Ų | 58.5 | 87% | 0.872 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.8 | 77.6 | 174.2 | -66 | -178.5 | -177 | 175.2 | 0.2 | 105.7 | L1472 | L1472-R1474 PolarHBondContact O-N 3.43Š|
| 1475 | P | 79.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | -115.1 | 10.5 | 65.7 | 10 | 8.7 | 0 | 0 | 0 | 117.8 | K1403 F1404 L1472 V1477 K1493 Y1494 | K1403-P1475 HydrophobicContact CB-CB 4.1Å; K1403-P1475 HydrophobicContact CB-CG 4.26Å; F1404-P1475 HydrophobicContact CB-CG 3.78Å; F1404-P1475 HydrophobicContact CD1-CB 4.03Å; F1404-P1475 HydrophobicContact CD1-CG 3.85Å; F1404-P1475 HydrophobicContact CG-CG 4.1Å; L1472-P1475 VanDerWaalsContact CB-CD 3.45Å; P1475-V1477 HydrophobicContact CB-CG2 4.19Å; P1475-V1477 HydrophobicContact CG-CG2 4.28Å; P1475-K1493 WeakPolarHBondContact O-CE 3.38Å; P1475-K1493 PolarHBondContact O-NZ 3.41Å; P1475-Y1494 HydrophobicContact CB-CE2 4.33Å; P1475-Y1494 WeakPolarHBondContact CB-OH 3.44Å; P1475-Y1494 WeakPolarHBondContact O-CE2 3.35Å; P1475-Y1494 PolarHBondContact O-OH 3.41Å; P1475-Y1494 VanDerWaalsContact O-OH 3.12Å | |
| 1476 | N | 82.7 | Confident | 86.9 | Confident | 42 Ų | 42 | 42.9 Ų | 42.9 | 23% | 0.225 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 54.1 | -170 | -164.5 | 29.1 | 0 | 0 | 0 | 112.4 | K1365 L1472 K1473 S1491 | K1365-N1476 VanDerWaalsContact CE-OD1 3.29Å; K1365-N1476 WeakPolarHBondContact CE-OD1 3.41Å; K1365-N1476 PolarHBondContact NZ-OD1 2.67Å; L1472-N1476 WeakPolarHBondContact O-CA 3.12Å; L1472-N1476 PolarHBondContact O-N 3.03Å; K1473-N1476 PolarHBondContact O-N 3.14Å; N1476-S1491 WeakPolarHBondContact ND2-CB 3.02Å; N1476-S1491 PolarHBondContact ND2-OG 2.86Å; N1476-S1491 WeakPolarHBondContact O-CB 3.36Å; N1476-S1491 PolarHBondContact O-N 3.03Å |
| 1477 | V | 88.7 | Confident | 87.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 136.3 | 178.4 | 176.7 | 0 | 0 | 0 | 0 | 108.5 | F1404 I1406 L1472 P1475 R1489 V1490 Y1494 | F1404-V1477 HydrophobicContact CD1-CG2 3.78Å; F1404-V1477 HydrophobicContact CD2-CG1 4.14Å; F1404-V1477 HydrophobicContact CD2-CG2 4.12Å; F1404-V1477 HydrophobicContact CE1-CG2 3.6Å; F1404-V1477 HydrophobicContact CE2-CG1 4.05Å; F1404-V1477 HydrophobicContact CE2-CG2 3.95Å; F1404-V1477 HydrophobicContact CG-CG2 4.03Å; F1404-V1477 HydrophobicContact CZ-CG2 3.66Å; I1406-V1477 HydrophobicContact CD1-CG1 3.77Å; L1472-V1477 HydrophobicContact CB-CB 4.49Å; L1472-V1477 WeakPolarHBondContact CB-O 3.42Å; L1472-V1477 HydrophobicContact CD1-CB 4.36Å; L1472-V1477 PolarHBondContact N-O 3.38Å; L1472-V1477 PolarHBondContact O-N 2.84Å; L1472-V1477 VanDerWaalsContact O-N 3.17Å; P1475-V1477 HydrophobicContact CB-CG2 4.19Å; P1475-V1477 HydrophobicContact CG-CG2 4.28Å; V1477-R1489 WeakPolarHBondContact CA-O 3.07Å; V1477-V1490 HydrophobicContact CG1-CG2 4.27Å; V1477-V1490 HydrophobicContact CG2-CG1 4.5Å; V1477-V1490 HydrophobicContact CG2-CG2 4.48Å; V1477-Y1494 HydrophobicContact CG2-CE2 4.05Å |
| 1478 | D | 90.3 | Very high | 88 | Confident | 26 Ų | 26 | 36.2 Ų | 36.2 | 14% | 0.139 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.2 | -175.6 | 22.5 | -52.1 | 0 | 0 | 0 | 109.6 | K1365 V1470 R1489 | K1365-D1478 WeakPolarHBondContact CD-OD1 3.48Å; K1365-D1478 WeakPolarHBondContact CE-OD1 3.18Å; K1365-D1478 IonicContact NZ-OD1 2.75Å; K1365-D1478 PolarHBondContact NZ-OD1 3.22Å; K1365-D1478 IonicContact NZ-OD2 2.7Å; V1470-D1478 WeakPolarHBondContact O-CA 3.3Å; D1478-R1489 HydrophobicContact CB-CB 4.31Å; D1478-R1489 VanDerWaalsContact CG-CB 3.44Å; D1478-R1489 PolarHBondContact N-O 3.14Å; D1478-R1489 PolarHBondContact O-N 3.2Å; D1478-R1489 WeakPolarHBondContact OD2-CB 3.25Å; D1478-R1489 WeakPolarHBondContact OD2-CD 3.22Å |
| 1479 | V | 93.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 127.5 | 178 | -177.3 | 0 | 0 | 0 | 0 | 108.7 | I1406 L1422 T1469 V1470 I1486 T1487 I1488 | I1406-V1479 HydrophobicContact CD1-CG2 3.46Å; I1406-V1479 VanDerWaalsContact CD1-CG2 3.46Å; I1406-V1479 HydrophobicContact CG1-CG2 4.11Å; I1406-V1479 HydrophobicContact CG2-CG2 4.49Å; L1422-V1479 HydrophobicContact CD2-CB 3.85Å; L1422-V1479 HydrophobicContact CD2-CG2 3.48Å; L1422-V1479 VanDerWaalsContact CD2-CG2 3.48Å; L1422-V1479 HydrophobicContact CG-CG2 4.25Å; T1469-V1479 CarbonylContact C-O 3.52Å; T1469-V1479 WeakPolarHBondContact CA-O 3.41Å; V1470-V1479 PolarHBondContact N-O 3.15Å; V1470-V1479 PolarHBondContact O-N 2.96Å; V1479-I1486 HydrophobicContact CG1-CG2 4.03Å; V1479-T1487 CarbonylContact C-O 3.55Å; V1479-T1487 WeakPolarHBondContact CA-O 3.22Å; V1479-I1488 HydrophobicContact CG2-CG1 4.43Å |
| 1480 | H | 93.6 | Very high | 87.9 | Confident | 57 Ų | 57 | 40 Ų | 40 | 26% | 0.264 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.2 | 175 | 179.9 | 79.6 | 0 | 0 | 0 | 109.1 | E1467 T1469 I1486 T1487 | E1467-H1480 IonicContact OE2-CE1 3.95Å; E1467-H1480 PolarHBondContact OE2-CE1 3.13Å; E1467-H1480 VanDerWaalsContact OE2-CE1 3.26Å; E1467-H1480 IonicContact OE2-NE2 2.64Å; T1469-H1480 PolarHBondContact OG1-ND1 3.15Å; H1480-I1486 WeakPolarHBondContact O-CA 3.22Å; H1480-T1487 PolarHBondContact N-O 2.83Å; H1480-T1487 PolarHBondContact O-N 3.13Å |
| 1481 | Y | 93.7 | Very high | 87.4 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 123.4 | -176.6 | 179.5 | -127.7 | 0 | 0 | 0 | 110.1 | K1418 V1420 L1431 I1439 E1467 V1468 G1483 E1485 I1486 | K1418-Y1481 PolarHBondContact O-OH 2.85Å; V1420-Y1481 HydrophobicContact CG2-CD1 4.18Å; V1420-Y1481 HydrophobicContact CG2-CD2 4Å; V1420-Y1481 HydrophobicContact CG2-CE1 4.29Å; V1420-Y1481 HydrophobicContact CG2-CE2 4.15Å; V1420-Y1481 HydrophobicContact CG2-CG 4.05Å; L1431-Y1481 HydrophobicContact CB-CD1 3.95Å; L1431-Y1481 HydrophobicContact CB-CE1 4.38Å; L1431-Y1481 HydrophobicContact CD1-CD1 4.09Å; L1431-Y1481 HydrophobicContact CD1-CG 4.41Å; I1439-Y1481 HydrophobicContact CD1-CD1 3.77Å; I1439-Y1481 HydrophobicContact CD1-CE1 4.08Å; I1439-Y1481 HydrophobicContact CD1-CG 4.45Å; I1439-Y1481 VanDerWaalsContact CD1-O 3.28Å; I1439-Y1481 WeakPolarHBondContact CD1-O 3.36Å; I1439-Y1481 HydrophobicContact CG1-CD1 4.37Å; I1439-Y1481 HydrophobicContact CG1-CE1 4.27Å; I1439-Y1481 HydrophobicContact CG2-CD1 4.12Å; I1439-Y1481 HydrophobicContact CG2-CE1 4.24Å; E1467-Y1481 CarbonylContact C-O 3.54Å; E1467-Y1481 WeakPolarHBondContact CA-O 3.4Å; V1468-Y1481 PolarHBondContact N-O 2.92Å; V1468-Y1481 PolarHBondContact O-N 3.04Å; Y1481-G1483 VanDerWaalsContact CE2-C 3.5Å; Y1481-G1483 VanDerWaalsContact OH-CA 3.31Å; Y1481-G1483 WeakPolarHBondContact OH-CA 3.42Å; Y1481-G1483 PolarHBondContact OH-O 3.14Å; Y1481-E1485 WeakPolarHBondContact CA-O 3.35Å; Y1481-E1485 WeakPolarHBondContact CD2-O 3.33Å; Y1481-I1486 HydrophobicContact CD2-CG1 3.72Å; Y1481-I1486 HydrophobicContact CE2-CG1 4.07Å |
| 1482 | D | 86.7 | Confident | 86.5 | Confident | 56 Ų | 56 | 42 Ų | 42 | 30% | 0.299 | 19% | 0.193 | S | C | . | . | trans | -110.8 | 13 | -177.3 | 71.6 | -3.8 | 0 | 0 | 0 | 113.4 | N1466 E1467 N1484 E1485 | N1466-D1482 CarbonylContact O-C 3.5Å; N1466-D1482 VanDerWaalsContact O-C 3.26Å; N1466-D1482 VanDerWaalsContact O-CA 3.32Å; N1466-D1482 WeakPolarHBondContact O-CA 3.49Å; N1466-D1482 VanDerWaalsContact O-O 3.1Å; E1467-D1482 HydrophobicContact CB-CB 4.33Å; D1482-N1484 VanDerWaalsContact C-N 3.33Å; D1482-N1484 WeakPolarHBondContact OD1-CA 3.29Å; D1482-N1484 PolarHBondContact OD1-N 3.22Å; D1482-E1485 PolarHBondContact N-O 3.39Å; D1482-E1485 PolarHBondContact OD1-N 3.18Å | ||
| 1483 | G | 80.9 | Confident | 85.7 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 94.2 | -29.7 | -172 | 0 | 0 | 0 | 0 | 0 | 113.7 | K1417 Y1481 | K1417-G1483 WeakPolarHBondContact CD-O 3.27Å; Y1481-G1483 VanDerWaalsContact CE2-C 3.5Å; Y1481-G1483 VanDerWaalsContact OH-CA 3.31Å; Y1481-G1483 WeakPolarHBondContact OH-CA 3.42Å; Y1481-G1483 PolarHBondContact OH-O 3.14Å |
| 1484 | N | 83.3 | Confident | 85.8 | Confident | 97 Ų | 97 | 42.1 Ų | 42.1 | 52% | 0.519 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -116 | -39.5 | -173.8 | -67.7 | -29.8 | 0 | 0 | 0 | 113.6 | K1417 D1482 | K1417-N1484 PolarHBondContact NZ-OD1 2.82Å; D1482-N1484 VanDerWaalsContact C-N 3.33Å; D1482-N1484 WeakPolarHBondContact OD1-CA 3.29Å; D1482-N1484 PolarHBondContact OD1-N 3.22Å |
| 1485 | E | 90.1 | Very high | 85.9 | Confident | 26 Ų | 26 | 35.3 Ų | 35.3 | 12% | 0.121 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135.3 | -175.3 | 178.3 | 167.6 | -160.3 | 0 | 0 | 110.8 | Q1369 I1370 R1371 Y1481 D1482 | Q1369-E1485 PolarHBondContact NE2-OE1 3.3Å; I1370-E1485 VanDerWaalsContact O-CA 3.31Å; I1370-E1485 WeakPolarHBondContact O-CA 3.33Å; R1371-E1485 HydrophobicContact CG-CB 4.19Å; R1371-E1485 HydrophobicContact CG-CG 3.8Å; R1371-E1485 IonicContact CZ-OE1 3.07Å; R1371-E1485 IonicContact CZ-OE2 3.36Å; R1371-E1485 VanDerWaalsContact CZ-OE2 3.28Å; R1371-E1485 IonicContact NE-OE1 2.84Å; R1371-E1485 PolarHBondContact NE-OE1 3.14Å; R1371-E1485 IonicContact NE-OE2 2.8Å; R1371-E1485 PolarHBondContact NE-OE2 2.62Å; R1371-E1485 IonicContact NH2-OE1 3.09Å; R1371-E1485 IonicContact NH2-OE2 2.96Å; R1371-E1485 PolarHBondContact NH2-OE2 3.24Å; Y1481-E1485 WeakPolarHBondContact CA-O 3.35Å; Y1481-E1485 WeakPolarHBondContact CD2-O 3.33Å; D1482-E1485 PolarHBondContact N-O 3.39Å; D1482-E1485 PolarHBondContact OD1-N 3.18Å |
| 1486 | I | 94.6 | Very high | 85.5 | Confident | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 118.6 | 173.2 | -47.9 | 164.1 | 0 | 0 | 0 | 107.4 | Q1369 I1370 L1394 A1408 K1418 V1420 V1479 H1480 Y1481 I1488 | Q1369-I1486 CarbonylContact C-O 3.49Å; Q1369-I1486 WeakPolarHBondContact CA-O 3.23Å; I1370-I1486 HydrophobicContact CB-CB 4.16Å; I1370-I1486 HydrophobicContact CB-CD1 4.47Å; I1370-I1486 HydrophobicContact CD1-CB 4.13Å; I1370-I1486 HydrophobicContact CD1-CG2 4.38Å; I1370-I1486 WeakPolarHBondContact CD1-O 3.39Å; I1370-I1486 PolarHBondContact N-O 2.74Å; I1370-I1486 PolarHBondContact O-N 3.32Å; L1394-I1486 HydrophobicContact CD1-CD1 4.09Å; A1408-I1486 HydrophobicContact CB-CD1 3.83Å; K1418-I1486 HydrophobicContact CB-CD1 4.47Å; K1418-I1486 HydrophobicContact CD-CD1 4.07Å; V1420-I1486 HydrophobicContact CG1-CG2 4.42Å; V1420-I1486 HydrophobicContact CG2-CD1 3.56Å; V1420-I1486 HydrophobicContact CG2-CG1 3.79Å; V1420-I1486 HydrophobicContact CG2-CG2 4.49Å; V1479-I1486 HydrophobicContact CG1-CG2 4.03Å; H1480-I1486 WeakPolarHBondContact O-CA 3.22Å; Y1481-I1486 HydrophobicContact CD2-CG1 3.72Å; Y1481-I1486 HydrophobicContact CE2-CG1 4.07Å; I1486-I1488 HydrophobicContact CG2-CD1 4.47Å; I1486-I1488 HydrophobicContact CG2-CG1 4.09Å |
| 1487 | T | 95.4 | Very high | 85.4 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 8% | 0.08 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118.5 | 173.4 | -63.1 | 0 | 0 | 0 | 0 | 109.7 | T1367 C1368 Q1369 V1479 H1480 | T1367-T1487 HydrophobicContact CG2-CG2 3.84Å; C1368-T1487 WeakPolarHBondContact O-CA 3.19Å; Q1369-T1487 HydrophobicContact CG-CG2 4.3Å; V1479-T1487 CarbonylContact C-O 3.55Å; V1479-T1487 WeakPolarHBondContact CA-O 3.22Å; H1480-T1487 PolarHBondContact N-O 2.83Å; H1480-T1487 PolarHBondContact O-N 3.13Å |
| 1488 | I | 94.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128.3 | -179.5 | -59.2 | 171.5 | 0 | 0 | 0 | 108.9 | T1367 C1368 I1370 F1378 L1394 A1395 I1406 V1479 I1486 V1490 | T1367-I1488 CarbonylContact C-O 3.45Å; T1367-I1488 WeakPolarHBondContact CA-O 3.35Å; C1368-I1488 HydrophobicContact CB-CB 4.37Å; C1368-I1488 PolarHBondContact N-O 3.35Å; C1368-I1488 PolarHBondContact O-N 2.77Å; I1370-I1488 HydrophobicContact CD1-CD1 3.94Å; I1370-I1488 HydrophobicContact CD1-CG1 4.39Å; F1378-I1488 HydrophobicContact CE1-CG2 4.33Å; F1378-I1488 HydrophobicContact CZ-CG2 4.15Å; L1394-I1488 HydrophobicContact CB-CD1 3.7Å; L1394-I1488 HydrophobicContact CD1-CD1 3.97Å; A1395-I1488 HydrophobicContact CB-CD1 4.32Å; A1395-I1488 HydrophobicContact CB-CG2 4.14Å; I1406-I1488 HydrophobicContact CB-CD1 4.2Å; I1406-I1488 HydrophobicContact CD1-CB 4.48Å; I1406-I1488 HydrophobicContact CD1-CD1 4.23Å; I1406-I1488 HydrophobicContact CD1-CG1 4.23Å; I1406-I1488 HydrophobicContact CD1-CG2 3.5Å; I1406-I1488 VanDerWaalsContact CD1-CG2 3.5Å; I1406-I1488 HydrophobicContact CG2-CD1 3.66Å; I1406-I1488 HydrophobicContact CG2-CG1 4.25Å; V1479-I1488 HydrophobicContact CG2-CG1 4.43Å; I1486-I1488 HydrophobicContact CG2-CD1 4.47Å; I1486-I1488 HydrophobicContact CG2-CG1 4.09Å; I1488-V1490 HydrophobicContact CG2-CG2 3.89Å |
| 1489 | R | 92.2 | Very high | 85.1 | Confident | 122 Ų | 122 | 36.6 Ų | 36.6 | 46% | 0.46 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 121.9 | 178.3 | -76.5 | 178.5 | 177.2 | 160.1 | 5.8 | 110.8 | K1365 G1366 T1367 V1477 D1478 | K1365-R1489 HydrophobicContact CB-CB 4.18Å; K1365-R1489 HydrophobicContact CD-CB 4.23Å; G1366-R1489 CarbonylContact O-C 3.54Å; G1366-R1489 VanDerWaalsContact O-CA 3.29Å; G1366-R1489 WeakPolarHBondContact O-CA 3.32Å; T1367-R1489 HydrophobicContact CG2-CG 4.13Å; V1477-R1489 WeakPolarHBondContact CA-O 3.07Å; D1478-R1489 HydrophobicContact CB-CB 4.31Å; D1478-R1489 VanDerWaalsContact CG-CB 3.44Å; D1478-R1489 PolarHBondContact N-O 3.14Å; D1478-R1489 PolarHBondContact O-N 3.2Å; D1478-R1489 WeakPolarHBondContact OD2-CB 3.25Å; D1478-R1489 WeakPolarHBondContact OD2-CD 3.22Å |
| 1490 | V | 87 | Confident | 84.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 132.8 | -173.4 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | K1365 G1366 F1378 F1404 V1477 I1488 Y1494 Q1498 L1505 | K1365-V1490 CarbonylContact C-O 3.48Å; K1365-V1490 WeakPolarHBondContact CA-O 3.49Å; K1365-V1490 WeakPolarHBondContact CB-O 3.37Å; G1366-V1490 PolarHBondContact N-O 3.42Å; G1366-V1490 PolarHBondContact O-N 3Å; F1378-V1490 HydrophobicContact CE1-CB 4.16Å; F1378-V1490 HydrophobicContact CE1-CG2 3.82Å; F1378-V1490 HydrophobicContact CE2-CG2 4.4Å; F1378-V1490 HydrophobicContact CZ-CB 4.11Å; F1378-V1490 HydrophobicContact CZ-CG2 3.48Å; F1378-V1490 VanDerWaalsContact CZ-CG2 3.48Å; F1404-V1490 HydrophobicContact CE2-CG2 4.22Å; F1404-V1490 HydrophobicContact CZ-CG1 3.93Å; F1404-V1490 HydrophobicContact CZ-CG2 3.99Å; V1477-V1490 HydrophobicContact CG1-CG2 4.27Å; V1477-V1490 HydrophobicContact CG2-CG1 4.5Å; V1477-V1490 HydrophobicContact CG2-CG2 4.48Å; I1488-V1490 HydrophobicContact CG2-CG2 3.89Å; V1490-Y1494 HydrophobicContact CG1-CD2 3.24Å; V1490-Y1494 HydrophobicContact CG1-CE2 4.12Å; V1490-Y1494 HydrophobicContact CG1-CG 3.72Å; V1490-Q1498 HydrophobicContact CG1-CG 4.28Å; V1490-L1505 HydrophobicContact CG1-CD2 4.32Å |
| 1491 | S | 79.3 | Confident | 84.8 | Confident | 6 Ų | 6 | 34 Ų | 34 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 141.9 | 177.9 | -177.8 | 0 | 0 | 0 | 0 | 112.3 | N1476 K1493 Y1494 | N1476-S1491 WeakPolarHBondContact ND2-CB 3.02Å; N1476-S1491 PolarHBondContact ND2-OG 2.86Å; N1476-S1491 WeakPolarHBondContact O-CB 3.36Å; N1476-S1491 PolarHBondContact O-N 3.03Å; S1491-K1493 PolarHBondContact O-N 3.35Å; S1491-Y1494 WeakPolarHBondContact O-CD2 3.46Å; S1491-Y1494 PolarHBondContact O-N 2.9Å |
| 1492 | D | 69.2 | Low | 84.7 | Confident | 86 Ų | 86 | 34 Ų | 34 | 46% | 0.46 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -53.5 | -12.2 | 176.2 | -138.7 | 27.1 | 0 | 0 | 0 | 115.2 | Y1494 H1495 | D1492-Y1494 PolarHBondContact O-N 3.47Å; D1492-H1495 WeakPolarHBondContact O-CB 3.49Å; D1492-H1495 PolarHBondContact O-N 3.22Å; D1492-H1495 VanDerWaalsContact O-N 3.12Å |
| 1493 | K | 70.9 | Confident | 84.8 | Confident | 106 Ų | 106 | 31.4 Ų | 31.4 | 46% | 0.461 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -67.6 | -16.4 | 171 | 69.3 | 173.3 | 172.9 | 148.9 | 0 | 113.3 | P1475 S1491 | P1475-K1493 WeakPolarHBondContact O-CE 3.38Å; P1475-K1493 PolarHBondContact O-NZ 3.41Å; S1491-K1493 PolarHBondContact O-N 3.35Å |
| 1494 | Y | 79.5 | Confident | 84.9 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -99 | 13 | 173.6 | -58.3 | -73.3 | 0 | 0 | 0 | 112 | D1397 F1404 P1475 V1477 V1490 S1491 D1492 G1496 R1497 | D1397-Y1494 HydrophobicContact CB-CE1 4.34Å; D1397-Y1494 WeakPolarHBondContact OD2-CE1 3.36Å; F1404-Y1494 HydrophobicContact CD1-CE1 4.42Å; F1404-Y1494 HydrophobicContact CD1-CE2 4.44Å; F1404-Y1494 HydrophobicContact CE1-CD1 4.09Å; F1404-Y1494 HydrophobicContact CE1-CD2 4.08Å; F1404-Y1494 AromaticContact CE1-CE1 3.83Å; F1404-Y1494 HydrophobicContact CE1-CE1 3.83Å; F1404-Y1494 AromaticContact CE1-CE2 3.7Å; F1404-Y1494 HydrophobicContact CE1-CE2 3.7Å; F1404-Y1494 HydrophobicContact CE1-CG 4.23Å; F1404-Y1494 AromaticContact CE1-CZ 3.62Å; F1404-Y1494 HydrophobicContact CZ-CE2 4.48Å; P1475-Y1494 HydrophobicContact CB-CE2 4.33Å; P1475-Y1494 WeakPolarHBondContact CB-OH 3.44Å; P1475-Y1494 WeakPolarHBondContact O-CE2 3.35Å; P1475-Y1494 PolarHBondContact O-OH 3.41Å; P1475-Y1494 VanDerWaalsContact O-OH 3.12Å; V1477-Y1494 HydrophobicContact CG2-CE2 4.05Å; V1490-Y1494 HydrophobicContact CG1-CD2 3.24Å; V1490-Y1494 HydrophobicContact CG1-CE2 4.12Å; V1490-Y1494 HydrophobicContact CG1-CG 3.72Å; S1491-Y1494 WeakPolarHBondContact O-CD2 3.46Å; S1491-Y1494 PolarHBondContact O-N 2.9Å; D1492-Y1494 PolarHBondContact O-N 3.47Å; Y1494-G1496 PolarHBondContact O-N 3.19Å; Y1494-G1496 VanDerWaalsContact O-N 3.12Å; Y1494-R1497 WeakPolarHBondContact O-CA 3.3Å; Y1494-R1497 PolarHBondContact O-N 2.89Å |
| 1495 | H | 77 | Confident | 84.8 | Confident | 88 Ų | 88 | 27.8 Ų | 27.8 | 41% | 0.407 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 119.4 | 175.3 | -177.7 | -69.6 | 0 | 0 | 0 | 109.5 | D1492 R1497 L1505 N1506 | D1492-H1495 WeakPolarHBondContact O-CB 3.49Å; D1492-H1495 PolarHBondContact O-N 3.22Å; D1492-H1495 VanDerWaalsContact O-N 3.12Å; H1495-R1497 PolarHBondContact O-N 2.93Å; H1495-L1505 CarbonylContact C-O 3.44Å; H1495-L1505 WeakPolarHBondContact CA-O 3.42Å; H1495-L1505 PolarHBondContact CD2-O 3.47Å; H1495-L1505 PolarHBondContact ND1-O 3.09Å; H1495-N1506 VanDerWaalsContact CE1-CA 3.41Å; H1495-N1506 WeakPolarHBondContact CE1-CA 3.39Å; H1495-N1506 PolarHBondContact CE1-O 3.33Å |
| 1496 | G | 73.3 | Confident | 84 | Confident | 6 Ų | 6 | 28.1 Ų | 28.1 | 6% | 0.062 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | -3.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | Y1277 Y1494 N1504 L1505 | Y1277-G1496 WeakPolarHBondContact CE2-O 3.31Å; Y1277-G1496 WeakPolarHBondContact OH-CA 3.27Å; Y1277-G1496 PolarHBondContact OH-O 3.25Å; Y1494-G1496 PolarHBondContact O-N 3.19Å; Y1494-G1496 VanDerWaalsContact O-N 3.12Å; G1496-N1504 CarbonylContact C-O 3.6Å; G1496-N1504 WeakPolarHBondContact CA-O 3.28Å; G1496-N1504 PolarHBondContact N-O 2.95Å; G1496-L1505 PolarHBondContact N-O 3.07Å |
| 1497 | R | 80 | Confident | 82.6 | Confident | 38 Ų | 38 | 31.9 Ų | 31.9 | 14% | 0.143 | 17% | 0.167 | C | C | . | . | trans | -111.6 | 29.3 | -176.9 | -65.8 | 177 | 43.6 | 170.8 | -13.4 | 111.9 | M1275 D1397 S1398 E1399 Y1494 H1495 | M1275-R1497 HydrophobicContact CE-CG 3.63Å; M1275-R1497 HydrophobicContact CG-CG 4.47Å; D1397-R1497 IonicContact OD1-CZ 2.58Å; D1397-R1497 IonicContact OD1-NE 3.54Å; D1397-R1497 IonicContact OD1-NH2 2.59Å; D1397-R1497 PolarHBondContact OD1-NH2 2.87Å; D1397-R1497 VanDerWaalsContact OD1-NH2 3.11Å; D1397-R1497 IonicContact OD2-NH2 3.55Å; S1398-R1497 PolarHBondContact N-O 3Å; S1398-R1497 PolarHBondContact OG-O 3.13Å; E1399-R1497 VanDerWaalsContact CG-NH2 3.26Å; E1399-R1497 IonicContact OE1-CZ 3.52Å; E1399-R1497 IonicContact OE1-NH1 2.78Å; E1399-R1497 PolarHBondContact OE1-NH1 3.35Å; E1399-R1497 IonicContact OE1-NH2 2.82Å; E1399-R1497 PolarHBondContact OE1-NH2 3.47Å; E1399-R1497 IonicContact OE2-CZ 3.91Å; E1399-R1497 IonicContact OE2-NH1 2.8Å; E1399-R1497 IonicContact OE2-NH2 3.18Å; E1399-R1497 PolarHBondContact OE2-NH2 2.93Å; Y1494-R1497 WeakPolarHBondContact O-CA 3.3Å; Y1494-R1497 PolarHBondContact O-N 2.89Å; H1495-R1497 PolarHBondContact O-N 2.93Å | ||
| 1498 | Q | 85.6 | Confident | 80.9 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.019 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 141.9 | 176.9 | -71.7 | -62.9 | -75.8 | 0 | 0 | 110.1 | F1378 R1396 F1404 V1490 G1503 N1504 L1505 | F1378-Q1498 HydrophobicContact CD2-CB 4.32Å; F1378-Q1498 HydrophobicContact CD2-CG 4.32Å; F1378-Q1498 HydrophobicContact CE2-CB 4.1Å; F1378-Q1498 HydrophobicContact CE2-CG 3.92Å; R1396-Q1498 WeakPolarHBondContact O-CA 3.41Å; R1396-Q1498 PolarHBondContact O-NE2 3.48Å; F1404-Q1498 VanDerWaalsContact CZ-NE2 3.31Å; V1490-Q1498 HydrophobicContact CG1-CG 4.28Å; Q1498-G1503 WeakPolarHBondContact CB-O 3.24Å; Q1498-N1504 WeakPolarHBondContact O-CA 3.19Å; Q1498-L1505 HydrophobicContact CB-CB 4.42Å; Q1498-L1505 HydrophobicContact CG-CB 4.2Å; Q1498-L1505 HydrophobicContact CG-CD2 4.38Å |
| 1499 | T | 87.1 | Confident | 79.5 | Confident | 51 Ų | 51 | 37 Ų | 37 | 31% | 0.313 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 152.2 | 171.6 | 38.3 | 0 | 0 | 0 | 0 | 108.5 | A1395 R1396 S1398 | A1395-T1499 CarbonylContact C-O 3.55Å; R1396-T1499 PolarHBondContact N-O 2.83Å; R1396-T1499 PolarHBondContact O-N 2.87Å; R1396-T1499 PolarHBondContact O-OG1 3.47Å; S1398-T1499 WeakPolarHBondContact OG-CB 3.34Å; S1398-T1499 WeakPolarHBondContact OG-CG2 3.09Å; S1398-T1499 PolarHBondContact OG-N 3.36Å; S1398-T1499 PolarHBondContact OG-OG1 2.96Å |
| 1500 | G | 88.8 | Confident | 77.8 | Confident | 3 Ų | 3 | 35 Ų | 35 | 3% | 0.031 | 20% | 0.202 | C | C | . | . | S | Bend | trans | 126 | 179.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | I1393 L1394 C1502 G1503 | I1393-G1500 WeakPolarHBondContact O-CA 3.08Å; L1394-G1500 CarbonylContact O-C 2.89Å; L1394-G1500 WeakPolarHBondContact O-CA 3.22Å; G1500-C1502 PolarHBondContact O-N 3.01Å; G1500-G1503 PolarHBondContact O-N 3.19Å |
| 1501 | M | 91.2 | Very high | 77 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -32.2 | 179 | -63.4 | -50.3 | -54.8 | 0 | 0 | 112.2 | I1375 Y1383 I1385 T1392 I1393 L1394 G1503 F1513 T1527 F1528 M1531 | I1375-M1501 HydrophobicContact CD1-CB 3.56Å; I1375-M1501 HydrophobicContact CD1-CG 4.26Å; Y1383-M1501 HydrophobicContact CD2-CE 4.42Å; Y1383-M1501 HydrophobicContact CE2-CE 3.34Å; Y1383-M1501 WeakPolarHBondContact OH-CA 3.32Å; Y1383-M1501 VanDerWaalsContact OH-CB 3.26Å; Y1383-M1501 WeakPolarHBondContact OH-CB 3.25Å; Y1383-M1501 VanDerWaalsContact OH-CE 3.31Å; Y1383-M1501 WeakPolarHBondContact OH-CE 3.25Å; Y1383-M1501 PolarHBondContact OH-O 2.73Å; I1385-M1501 HydrophobicContact CD1-CE 4.2Å; I1385-M1501 HydrophobicContact CD1-CG 4.18Å; I1385-M1501 HydrophobicContact CG2-CE 3.67Å; T1392-M1501 HydrophobicContact CG2-CG 3.68Å; T1392-M1501 HydrophobicContact CG2-SD 4.39Å; I1393-M1501 WeakPolarHBondContact O-CG 3.35Å; I1393-M1501 PolarHBondContact O-N 3.49Å; L1394-M1501 HydrophobicContact CD2-CB 4.26Å; L1394-M1501 PolarHBondContact O-N 3.13Å; L1394-M1501 VanDerWaalsContact O-N 3.13Å; M1501-G1503 PolarHBondContact O-N 2.77Å; M1501-F1513 HydrophobicContact CE-CZ 4.48Å; M1501-T1527 HydrophobicContact SD-CG2 4.34Å; M1501-F1528 HydrophobicContact CE-CB 4.11Å; M1501-F1528 HydrophobicContact CE-CD2 4.41Å; M1501-F1528 HydrophobicContact SD-CB 4.15Å; M1501-F1528 HydrophobicContact SD-CD2 4.22Å; M1501-M1531 HydrophobicContact CG-CB 4.43Å; M1501-M1531 HydrophobicContact SD-CB 4.07Å; M1501-M1531 HydrophobicContact SD-CG 4.16Å |
| 1502 | C | 92 | Very high | 76.4 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -0 | 179.5 | -71.4 | 0 | 0 | 0 | 0 | 116.2 | C1368 T1377 F1378 L1394 A1395 G1500 | C1368-C1502 HydrophobicContact CB-CB 3.48Å; C1368-C1502 VanDerWaalsContact CB-CB 3.48Å; C1368-C1502 WeakPolarHBondContact CB-SG 3.42Å; C1368-C1502 VanDerWaalsContact SG-CA 3.53Å; C1368-C1502 WeakPolarHBondContact SG-CB 3.39Å; C1368-C1502 CovalentContact SG-SG 2.03Å; C1368-C1502 PolarHBondContact SG-SG 3.42Å; T1377-C1502 CarbonylContact C-O 3.56Å; T1377-C1502 WeakPolarHBondContact CA-O 3.28Å; T1377-C1502 VanDerWaalsContact CB-O 3.3Å; T1377-C1502 WeakPolarHBondContact CB-O 3.26Å; F1378-C1502 HydrophobicContact CD2-CB 3.86Å; F1378-C1502 WeakPolarHBondContact CD2-O 3.46Å; F1378-C1502 HydrophobicContact CE1-CB 4.4Å; F1378-C1502 HydrophobicContact CE2-CB 3.45Å; F1378-C1502 VanDerWaalsContact CE2-CB 3.45Å; F1378-C1502 HydrophobicContact CG-CB 4.48Å; F1378-C1502 WeakPolarHBondContact CG-O 3.34Å; F1378-C1502 HydrophobicContact CZ-CB 3.75Å; F1378-C1502 PolarHBondContact N-O 3.46Å; L1394-C1502 WeakPolarHBondContact O-CB 3.41Å; L1394-C1502 PolarHBondContact O-N 2.84Å; L1394-C1502 PolarHBondContact O-SG 3.38Å; A1395-C1502 HydrophobicContact CB-CB 4.3Å; G1500-C1502 PolarHBondContact O-N 3.01Å |
| 1503 | G | 88 | Confident | 76.5 | Confident | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | trans | 87.4 | -171.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q1498 G1500 M1501 E1512 | Q1498-G1503 WeakPolarHBondContact CB-O 3.24Å; G1500-G1503 PolarHBondContact O-N 3.19Å; M1501-G1503 PolarHBondContact O-N 2.77Å; G1503-E1512 VanDerWaalsContact CA-OE2 3.23Å; G1503-E1512 WeakPolarHBondContact CA-OE2 3.09Å | ||
| 1504 | N | 83.7 | Confident | 75.5 | Confident | 21 Ų | 21 | 32.5 Ų | 32.5 | 11% | 0.112 | 20% | 0.197 | C | C | . | . | trans | -99.5 | -8.2 | -167.8 | 67.8 | 18.2 | 0 | 0 | 0 | 114.2 | D1379 G1496 Q1498 N1506 D1511 | D1379-N1504 PolarHBondContact OD2-OD1 2.72Å; G1496-N1504 CarbonylContact C-O 3.6Å; G1496-N1504 WeakPolarHBondContact CA-O 3.28Å; G1496-N1504 PolarHBondContact N-O 2.95Å; Q1498-N1504 WeakPolarHBondContact O-CA 3.19Å; N1504-N1506 PolarHBondContact ND2-ND2 3.18Å; N1504-N1506 VanDerWaalsContact ND2-ND2 3.14Å; N1504-N1506 WeakPolarHBondContact OD1-CB 3.24Å; N1504-N1506 PolarHBondContact OD1-N 2.85Å; N1504-N1506 VanDerWaalsContact OD1-N 3.11Å; N1504-N1506 PolarHBondContact OD1-ND2 3.39Å; N1504-N1506 PolarHBondContact OD1-OD1 2.94Å; N1504-D1511 PolarHBondContact ND2-O 2.97Å; N1504-D1511 VanDerWaalsContact ND2-O 3.12Å; N1504-D1511 PolarHBondContact ND2-OD1 3.28Å | ||
| 1505 | L | 82.1 | Confident | 73.9 | Confident | 7 Ų | 7 | 39.5 Ų | 39.5 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | trans | 56.8 | 47.5 | -179.1 | -175.4 | 62.9 | 0 | 0 | 0 | 111.5 | F1378 D1379 V1490 H1495 G1496 Q1498 | F1378-L1505 HydrophobicContact CB-CB 3.96Å; F1378-L1505 HydrophobicContact CB-CD1 3.72Å; F1378-L1505 HydrophobicContact CB-CG 4.41Å; F1378-L1505 HydrophobicContact CD2-CB 4.01Å; F1378-L1505 HydrophobicContact CG-CB 4.15Å; F1378-L1505 HydrophobicContact CG-CD1 4.17Å; D1379-L1505 VanDerWaalsContact OD2-CA 3.24Å; D1379-L1505 WeakPolarHBondContact OD2-CA 3.23Å; D1379-L1505 PolarHBondContact OD2-N 3.29Å; D1379-L1505 VanDerWaalsContact OD2-N 3.12Å; V1490-L1505 HydrophobicContact CG1-CD2 4.32Å; H1495-L1505 CarbonylContact C-O 3.44Å; H1495-L1505 WeakPolarHBondContact CA-O 3.42Å; H1495-L1505 PolarHBondContact CD2-O 3.47Å; H1495-L1505 PolarHBondContact ND1-O 3.09Å; G1496-L1505 PolarHBondContact N-O 3.07Å; Q1498-L1505 HydrophobicContact CB-CB 4.42Å; Q1498-L1505 HydrophobicContact CG-CB 4.2Å; Q1498-L1505 HydrophobicContact CG-CD2 4.38Å | ||
| 1506 | N | 73.4 | Confident | 71.9 | Confident | 34 Ų | 34 | 37.7 Ų | 37.7 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -108.2 | 6.7 | -178.7 | 76.3 | -5.3 | 0 | 0 | 0 | 114 | D1379 H1495 N1504 D1508 D1511 | D1379-N1506 PolarHBondContact OD1-N 2.93Å; D1379-N1506 PolarHBondContact OD2-N 2.7Å; D1379-N1506 PolarHBondContact OD2-OD1 2.89Å; H1495-N1506 VanDerWaalsContact CE1-CA 3.41Å; H1495-N1506 WeakPolarHBondContact CE1-CA 3.39Å; H1495-N1506 PolarHBondContact CE1-O 3.33Å; N1504-N1506 PolarHBondContact ND2-ND2 3.18Å; N1504-N1506 VanDerWaalsContact ND2-ND2 3.14Å; N1504-N1506 WeakPolarHBondContact OD1-CB 3.24Å; N1504-N1506 PolarHBondContact OD1-N 2.85Å; N1504-N1506 VanDerWaalsContact OD1-N 3.11Å; N1504-N1506 PolarHBondContact OD1-ND2 3.39Å; N1504-N1506 PolarHBondContact OD1-OD1 2.94Å; N1506-D1508 VanDerWaalsContact C-N 3.29Å; N1506-D1508 WeakPolarHBondContact OD1-CA 3.24Å; N1506-D1508 WeakPolarHBondContact OD1-CB 3.42Å; N1506-D1508 PolarHBondContact OD1-N 3.18Å; N1506-D1508 PolarHBondContact OD1-O 3.17Å; N1506-D1511 PolarHBondContact ND2-OD1 2.83Å; N1506-D1511 PolarHBondContact ND2-OD2 3.35Å; N1506-D1511 PolarHBondContact OD1-OD1 3.19Å |
| 1507 | A | 63.6 | Low | 70.1 | Confident | 81 Ų | 81 | 43.8 Ų | 43.8 | 67% | 0.669 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 65.7 | 20.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D1379 | D1379-A1507 VanDerWaalsContact CG-N 3.3Å; D1379-A1507 WeakPolarHBondContact OD1-CA 3.34Å; D1379-A1507 PolarHBondContact OD1-N 3.01Å |
| 1508 | D | 61.3 | Low | 68.2 | Low | 66 Ų | 66 | 46.8 Ų | 46.8 | 35% | 0.353 | 27% | 0.272 | S | S | . | . | trans | -125.6 | 98.5 | 176.3 | -167.2 | -13.9 | 0 | 0 | 0 | 112 | N1506 S1510 D1511 | N1506-D1508 VanDerWaalsContact C-N 3.29Å; N1506-D1508 WeakPolarHBondContact OD1-CA 3.24Å; N1506-D1508 WeakPolarHBondContact OD1-CB 3.42Å; N1506-D1508 PolarHBondContact OD1-N 3.18Å; N1506-D1508 PolarHBondContact OD1-O 3.17Å; D1508-S1510 VanDerWaalsContact CG-OG 3.3Å; D1508-S1510 PolarHBondContact O-N 2.85Å; D1508-S1510 VanDerWaalsContact OD1-CB 3.3Å; D1508-S1510 WeakPolarHBondContact OD1-CB 3.46Å; D1508-S1510 PolarHBondContact OD1-N 3.46Å; D1508-S1510 PolarHBondContact OD1-OG 2.93Å; D1508-S1510 PolarHBondContact OD2-OG 3.4Å; D1508-D1511 PolarHBondContact O-N 3.25Å | ||
| 1509 | S | 65.2 | Low | 66 | Low | 55 Ų | 55 | 54.2 Ų | 54.2 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -7.9 | 176.8 | 63 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1510 | S | 55.2 | Low | 64.3 | Low | 78 Ų | 78 | 55.7 Ų | 55.7 | 55% | 0.545 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -11.3 | -177.4 | 72.9 | 0 | 0 | 0 | 0 | 113.9 | D1508 | D1508-S1510 VanDerWaalsContact CG-OG 3.3Å; D1508-S1510 PolarHBondContact O-N 2.85Å; D1508-S1510 VanDerWaalsContact OD1-CB 3.3Å; D1508-S1510 WeakPolarHBondContact OD1-CB 3.46Å; D1508-S1510 PolarHBondContact OD1-N 3.46Å; D1508-S1510 PolarHBondContact OD1-OG 2.93Å; D1508-S1510 PolarHBondContact OD2-OG 3.4Å |
| 1511 | D | 69.8 | Low | 62.2 | Low | 25 Ų | 25 | 60.8 Ų | 60.8 | 13% | 0.134 | 33% | 0.328 | C | S | . | . | trans | -131.7 | 25.6 | -171.5 | 83.9 | -17.2 | 0 | 0 | 0 | 114.5 | N1504 N1506 D1508 F1513 S1514 | N1504-D1511 PolarHBondContact ND2-O 2.97Å; N1504-D1511 VanDerWaalsContact ND2-O 3.12Å; N1504-D1511 PolarHBondContact ND2-OD1 3.28Å; N1506-D1511 PolarHBondContact ND2-OD1 2.83Å; N1506-D1511 PolarHBondContact ND2-OD2 3.35Å; N1506-D1511 PolarHBondContact OD1-OD1 3.19Å; D1508-D1511 PolarHBondContact O-N 3.25Å; D1511-F1513 PolarHBondContact O-N 3.24Å; D1511-S1514 WeakPolarHBondContact CB-OG 3.39Å; D1511-S1514 PolarHBondContact O-N 3.33Å; D1511-S1514 PolarHBondContact O-OG 2.84Å | ||
| 1512 | E | 68.1 | Low | 60.6 | Low | 16 Ų | 16 | 63.8 Ų | 63.8 | 8% | 0.075 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -38.8 | -178.7 | -60.9 | -73.4 | -176.6 | 0 | 0 | 113.6 | T1377 D1379 A1381 G1503 | T1377-E1512 WeakPolarHBondContact CB-OE1 3.33Å; T1377-E1512 VanDerWaalsContact CB-OE2 3.27Å; T1377-E1512 WeakPolarHBondContact CB-OE2 3.38Å; T1377-E1512 HydrophobicContact CG2-CG 4.14Å; T1377-E1512 WeakPolarHBondContact CG2-OE2 3.06Å; T1377-E1512 PolarHBondContact OG1-OE1 3.45Å; T1377-E1512 PolarHBondContact OG1-OE2 3.08Å; D1379-E1512 WeakPolarHBondContact CB-OE1 3.39Å; A1381-E1512 HydrophobicContact CB-CG 3.67Å; A1381-E1512 WeakPolarHBondContact CB-OE1 3.37Å; G1503-E1512 VanDerWaalsContact CA-OE2 3.23Å; G1503-E1512 WeakPolarHBondContact CA-OE2 3.09Å |
| 1513 | F | 69.9 | Low | 59.3 | Low | 34 Ų | 34 | 65.1 Ų | 65.1 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.6 | 63.2 | -175.4 | -49.1 | -57.2 | 0 | 0 | 0 | 110 | Y1383 M1501 D1511 K1515 I1524 T1527 | Y1383-F1513 AromaticContact CD1-CE2 4Å; Y1383-F1513 HydrophobicContact CD1-CE2 4Å; Y1383-F1513 HydrophobicContact CD1-CZ 4.12Å; Y1383-F1513 AromaticContact CE1-CE2 3.78Å; Y1383-F1513 HydrophobicContact CE1-CE2 3.78Å; Y1383-F1513 AromaticContact CE1-CZ 3.41Å; Y1383-F1513 HydrophobicContact CE1-CZ 3.41Å; Y1383-F1513 VanDerWaalsContact CE1-CZ 3.41Å; Y1383-F1513 HydrophobicContact CE2-CZ 4.35Å; Y1383-F1513 AromaticContact CZ-CZ 3.57Å; M1501-F1513 HydrophobicContact CE-CZ 4.48Å; D1511-F1513 PolarHBondContact O-N 3.24Å; F1513-K1515 PolarHBondContact O-N 3.29Å; F1513-I1524 HydrophobicContact CD2-CG1 3.91Å; F1513-I1524 HydrophobicContact CE2-CG1 3.99Å; F1513-T1527 HydrophobicContact CD1-CG2 3.62Å; F1513-T1527 HydrophobicContact CE1-CG2 4.1Å; F1513-T1527 HydrophobicContact CG-CG2 4.25Å |
| 1514 | S | 50.4 | Low | 58.4 | Low | 71 Ų | 71 | 66.4 Ų | 66.4 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 86.1 | -171.1 | -81.2 | 0 | 0 | 0 | 0 | 114.6 | D1511 | D1511-S1514 WeakPolarHBondContact CB-OG 3.39Å; D1511-S1514 PolarHBondContact O-N 3.33Å; D1511-S1514 PolarHBondContact O-OG 2.84Å |
| 1515 | K | 46.7 | Very low | 58 | Low | 149 Ų | 149 | 67.6 Ų | 67.6 | 65% | 0.648 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.4 | -10.5 | 151.1 | -81.6 | -178.1 | -177.9 | 169.8 | 0 | 113.9 | F1513 E1530 | F1513-K1515 PolarHBondContact O-N 3.29Å; K1515-E1530 IonicContact NZ-OE1 3.55Å; K1515-E1530 PolarHBondContact NZ-OE1 3.02Å; K1515-E1530 IonicContact NZ-OE2 2.72Å |
| 1516 | S | 35 | Very low | 57.6 | Low | 51 Ų | 51 | 71.8 Ų | 71.8 | 36% | 0.357 | 38% | 0.38 | S | S | . | . | trans | -153.6 | 150.5 | 172.2 | 99 | 0 | 0 | 0 | 0 | 114.2 | Q1518 D1523 | S1516-Q1518 VanDerWaalsContact C-N 3.29Å; S1516-Q1518 PolarHBondContact O-N 3.31Å; S1516-Q1518 PolarHBondContact OG-O 3.13Å; S1516-D1523 VanDerWaalsContact CB-OD2 3.3Å; S1516-D1523 WeakPolarHBondContact CB-OD2 3.46Å; S1516-D1523 PolarHBondContact OG-OD2 3.17Å | ||
| 1517 | N | 35.7 | Very low | 57.7 | Low | 133 Ų | 133 | 70.9 Ų | 70.9 | 71% | 0.711 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -87.5 | 16.7 | 179 | -90.5 | 14.7 | 0 | 0 | 0 | 113.3 | ||
| 1518 | Q | 39.3 | Very low | 58.6 | Low | 102 Ų | 102 | 67 Ų | 67 | 48% | 0.477 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -117.5 | 128.8 | 170 | -90 | 178.6 | -24.9 | 0 | 0 | 108.2 | S1516 N1520 | S1516-Q1518 VanDerWaalsContact C-N 3.29Å; S1516-Q1518 PolarHBondContact O-N 3.31Å; S1516-Q1518 PolarHBondContact OG-O 3.13Å; Q1518-N1520 PolarHBondContact O-N 2.9Å |
| 1519 | K | 40.1 | Very low | 59.4 | Low | 160 Ų | 160 | 66 Ų | 66 | 70% | 0.696 | 34% | 0.338 | S | S | * | . | trans | -62.1 | 80 | 167.7 | -72.2 | -174.9 | 173.1 | -167.4 | 0 | 109.7 | ||||
| 1520 | N | 49.9 | Very low | 60.2 | Low | 81 Ų | 81 | 68.8 Ų | 68.8 | 43% | 0.433 | 35% | 0.345 | S | S | . | . | trans | -106.1 | 141 | 178.7 | -114 | -0.4 | 0 | 0 | 0 | 110.5 | Q1518 D1522 D1523 | Q1518-N1520 PolarHBondContact O-N 2.9Å; N1520-D1522 PolarHBondContact O-N 3.31Å; N1520-D1523 PolarHBondContact O-N 3.04Å | ||
| 1521 | R | 46 | Very low | 61.7 | Low | 110 Ų | 110 | 66.7 Ų | 66.7 | 42% | 0.415 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -53.5 | -22.6 | 179.6 | -131 | 176.8 | 64.9 | 161.6 | 6.5 | 113.8 | R1543 D1548 | R1521-R1543 PolarHBondContact O-NH2 2.94Å; R1521-D1548 VanDerWaalsContact CZ-CG 3.44Å; R1521-D1548 IonicContact CZ-OD1 3.4Å; R1521-D1548 IonicContact CZ-OD2 2.57Å; R1521-D1548 VanDerWaalsContact CZ-OD2 3.24Å; R1521-D1548 IonicContact NH1-OD1 3.89Å; R1521-D1548 PolarHBondContact NH1-OD1 3.42Å; R1521-D1548 IonicContact NH1-OD2 2.8Å; R1521-D1548 PolarHBondContact NH1-OD2 3.16Å; R1521-D1548 VanDerWaalsContact NH1-OD2 3.09Å; R1521-D1548 VanDerWaalsContact NH2-CG 3.29Å; R1521-D1548 IonicContact NH2-OD1 3.43Å; R1521-D1548 IonicContact NH2-OD2 3.03Å; R1521-D1548 PolarHBondContact NH2-OD2 3.28Å |
| 1522 | D | 58.3 | Low | 62.5 | Low | 64 Ų | 64 | 65.9 Ų | 65.9 | 34% | 0.342 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -78.7 | -39.8 | -177.3 | -63.4 | -43.4 | 0 | 0 | 0 | 112.7 | N1520 I1524 W1525 E1526 R1543 | N1520-D1522 PolarHBondContact O-N 3.31Å; D1522-I1524 VanDerWaalsContact C-N 3.32Å; D1522-I1524 PolarHBondContact O-N 3.36Å; D1522-W1525 PolarHBondContact O-N 2.98Å; D1522-W1525 VanDerWaalsContact O-N 3.17Å; D1522-E1526 WeakPolarHBondContact O-CB 3.35Å; D1522-E1526 WeakPolarHBondContact O-CG 3.3Å; D1522-E1526 PolarHBondContact O-N 2.6Å; D1522-R1543 IonicContact OD1-CZ 3.98Å; D1522-R1543 VanDerWaalsContact OD1-CZ 3.31Å; D1522-R1543 IonicContact OD1-NH1 2.71Å; D1522-R1543 PolarHBondContact OD1-NH1 2.86Å; D1522-R1543 IonicContact OD1-NH2 3.46Å; D1522-R1543 PolarHBondContact OD1-NH2 2.67Å |
| 1523 | D | 63 | Low | 63.2 | Low | 28 Ų | 28 | 68 Ų | 68 | 15% | 0.15 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.6 | -37.4 | -177.2 | -69.9 | 2.7 | 0 | 0 | 0 | 112.5 | S1516 N1520 T1527 | S1516-D1523 VanDerWaalsContact CB-OD2 3.3Å; S1516-D1523 WeakPolarHBondContact CB-OD2 3.46Å; S1516-D1523 PolarHBondContact OG-OD2 3.17Å; N1520-D1523 PolarHBondContact O-N 3.04Å; D1523-T1527 WeakPolarHBondContact O-CB 3.21Å; D1523-T1527 PolarHBondContact O-N 3.13Å; D1523-T1527 PolarHBondContact O-OG1 2.98Å |
| 1524 | I | 70.4 | Confident | 63.4 | Low | 29 Ų | 29 | 75.7 Ų | 75.7 | 15% | 0.149 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -70.8 | -41.5 | 178.3 | -63 | 172.6 | 0 | 0 | 0 | 110.8 | Y1383 I1385 F1513 D1522 F1528 F1552 | Y1383-I1524 HydrophobicContact CD2-CG2 3.63Å; Y1383-I1524 HydrophobicContact CE2-CG2 4.19Å; Y1383-I1524 HydrophobicContact CG-CD1 4.35Å; Y1383-I1524 HydrophobicContact CG-CG2 4.17Å; I1385-I1524 HydrophobicContact CG2-CG2 4.44Å; F1513-I1524 HydrophobicContact CD2-CG1 3.91Å; F1513-I1524 HydrophobicContact CE2-CG1 3.99Å; D1522-I1524 VanDerWaalsContact C-N 3.32Å; D1522-I1524 PolarHBondContact O-N 3.36Å; I1524-F1528 VanDerWaalsContact O-CB 3.28Å; I1524-F1528 WeakPolarHBondContact O-CB 3.5Å; I1524-F1528 PolarHBondContact O-N 3.1Å; I1524-F1552 HydrophobicContact CD1-CE1 3.48Å; I1524-F1552 VanDerWaalsContact CD1-CE1 3.48Å; I1524-F1552 HydrophobicContact CD1-CZ 3.37Å |
| 1525 | W | 74.3 | Confident | 64.3 | Low | 45 Ų | 45 | 76 Ų | 76 | 17% | 0.17 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.6 | -41.2 | 178.6 | -179.5 | -102.1 | 0 | 0 | 0 | 112.1 | P1386 D1522 F1528 N1529 P1541 R1543 | P1386-W1525 HydrophobicContact CG-CH2 4.21Å; P1386-W1525 HydrophobicContact CG-CZ3 3.66Å; D1522-W1525 PolarHBondContact O-N 2.98Å; D1522-W1525 VanDerWaalsContact O-N 3.17Å; W1525-F1528 HydrophobicContact CE3-CD1 4.11Å; W1525-F1528 HydrophobicContact CH2-CD1 4.49Å; W1525-F1528 HydrophobicContact CH2-CE1 4.47Å; W1525-F1528 AromaticContact CZ3-CD1 3.99Å; W1525-F1528 HydrophobicContact CZ3-CD1 3.99Å; W1525-F1528 HydrophobicContact CZ3-CE1 4.17Å; W1525-F1528 PolarHBondContact O-N 3.24Å; W1525-N1529 PolarHBondContact NE1-ND2 3.23Å; W1525-N1529 PolarHBondContact O-N 3.03Å; W1525-P1541 HydrophobicContact CH2-CB 4.4Å; W1525-R1543 HydrophobicContact CD2-CG 3.92Å; W1525-R1543 VanDerWaalsContact CE2-CG 3.5Å; W1525-R1543 HydrophobicContact CE3-CG 4.4Å; W1525-R1543 HydrophobicContact CG-CG 4.43Å; W1525-R1543 VanDerWaalsContact CG-NE 3.28Å; W1525-R1543 HydrophobicContact CH2-CB 4.08Å; W1525-R1543 HydrophobicContact CH2-CG 4.17Å; W1525-R1543 HydrophobicContact CZ2-CB 3.44Å; W1525-R1543 VanDerWaalsContact CZ2-CB 3.44Å; W1525-R1543 HydrophobicContact CZ2-CG 3.67Å |
| 1526 | E | 73.3 | Confident | 65.3 | Low | 95 Ų | 95 | 77.2 Ų | 77.2 | 44% | 0.444 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 173.8 | -75.3 | -175.9 | -177.4 | 0 | 0 | 110.7 | D1522 F1528 N1529 E1530 | D1522-E1526 WeakPolarHBondContact O-CB 3.35Å; D1522-E1526 WeakPolarHBondContact O-CG 3.3Å; D1522-E1526 PolarHBondContact O-N 2.6Å; E1526-F1528 VanDerWaalsContact C-N 3.32Å; E1526-F1528 PolarHBondContact O-N 3.2Å; E1526-N1529 PolarHBondContact O-N 2.72Å; E1526-E1530 WeakPolarHBondContact O-CG 3.45Å; E1526-E1530 PolarHBondContact O-N 3.49Å |
| 1527 | T | 76.4 | Confident | 67 | Low | 15 Ų | 15 | 81 Ų | 81 | 9% | 0.092 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 176.1 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | M1501 F1513 D1523 N1529 E1530 M1531 | M1501-T1527 HydrophobicContact SD-CG2 4.34Å; F1513-T1527 HydrophobicContact CD1-CG2 3.62Å; F1513-T1527 HydrophobicContact CE1-CG2 4.1Å; F1513-T1527 HydrophobicContact CG-CG2 4.25Å; D1523-T1527 WeakPolarHBondContact O-CB 3.21Å; D1523-T1527 PolarHBondContact O-N 3.13Å; D1523-T1527 PolarHBondContact O-OG1 2.98Å; T1527-N1529 VanDerWaalsContact C-N 3.33Å; T1527-N1529 PolarHBondContact O-N 3.16Å; T1527-E1530 PolarHBondContact O-N 3.36Å; T1527-M1531 HydrophobicContact CG2-CE 4.09Å; T1527-M1531 HydrophobicContact CG2-CG 3.93Å; T1527-M1531 VanDerWaalsContact O-CB 3.31Å; T1527-M1531 WeakPolarHBondContact O-CB 3.41Å; T1527-M1531 WeakPolarHBondContact O-CG 3.44Å; T1527-M1531 PolarHBondContact O-N 2.97Å |
| 1528 | F | 82.5 | Confident | 68.9 | Low | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 176.4 | 174.3 | -112.9 | 0 | 0 | 0 | 112.7 | I1385 P1386 T1392 M1501 I1524 W1525 E1526 M1531 T1532 P1541 | I1385-F1528 HydrophobicContact CB-CD2 3.79Å; I1385-F1528 HydrophobicContact CB-CE2 3.96Å; I1385-F1528 HydrophobicContact CB-CG 4.23Å; I1385-F1528 HydrophobicContact CD1-CD2 3.67Å; I1385-F1528 HydrophobicContact CD1-CE2 3.68Å; I1385-F1528 HydrophobicContact CG1-CD2 4.37Å; I1385-F1528 HydrophobicContact CG1-CE2 4.42Å; I1385-F1528 HydrophobicContact CG2-CB 4Å; I1385-F1528 HydrophobicContact CG2-CD2 3.75Å; I1385-F1528 HydrophobicContact CG2-CE2 4.43Å; I1385-F1528 HydrophobicContact CG2-CG 3.86Å; P1386-F1528 HydrophobicContact CG-CE1 3.95Å; P1386-F1528 HydrophobicContact CG-CZ 4.39Å; P1386-F1528 VanDerWaalsContact O-CZ 3.23Å; P1386-F1528 WeakPolarHBondContact O-CZ 3.27Å; T1392-F1528 HydrophobicContact CG2-CD2 3.92Å; T1392-F1528 HydrophobicContact CG2-CE2 3.85Å; M1501-F1528 HydrophobicContact CE-CB 4.11Å; M1501-F1528 HydrophobicContact CE-CD2 4.41Å; M1501-F1528 HydrophobicContact SD-CB 4.15Å; M1501-F1528 HydrophobicContact SD-CD2 4.22Å; I1524-F1528 VanDerWaalsContact O-CB 3.28Å; I1524-F1528 WeakPolarHBondContact O-CB 3.5Å; I1524-F1528 PolarHBondContact O-N 3.1Å; W1525-F1528 HydrophobicContact CE3-CD1 4.11Å; W1525-F1528 HydrophobicContact CH2-CD1 4.49Å; W1525-F1528 HydrophobicContact CH2-CE1 4.47Å; W1525-F1528 AromaticContact CZ3-CD1 3.99Å; W1525-F1528 HydrophobicContact CZ3-CD1 3.99Å; W1525-F1528 HydrophobicContact CZ3-CE1 4.17Å; W1525-F1528 PolarHBondContact O-N 3.24Å; E1526-F1528 VanDerWaalsContact C-N 3.32Å; E1526-F1528 PolarHBondContact O-N 3.2Å; F1528-M1531 PolarHBondContact O-N 3.04Å; F1528-T1532 WeakPolarHBondContact O-CB 3.44Å; F1528-T1532 PolarHBondContact O-N 3.09Å; F1528-T1532 VanDerWaalsContact O-N 3.17Å; F1528-T1532 PolarHBondContact O-OG1 3.17Å; F1528-P1541 HydrophobicContact CD1-CG 4.4Å; F1528-P1541 HydrophobicContact CE1-CB 3.81Å; F1528-P1541 HydrophobicContact CE1-CG 3.37Å; F1528-P1541 HydrophobicContact CZ-CB 4.27Å; F1528-P1541 HydrophobicContact CZ-CG 3.75Å |
| 1529 | N | 79 | Confident | 70.4 | Confident | 44 Ų | 44 | 78.6 Ų | 78.6 | 24% | 0.235 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.2 | -39.1 | 174.8 | -83.6 | -28.4 | 0 | 0 | 0 | 112.7 | W1525 E1526 T1527 M1531 T1532 | W1525-N1529 PolarHBondContact NE1-ND2 3.23Å; W1525-N1529 PolarHBondContact O-N 3.03Å; E1526-N1529 PolarHBondContact O-N 2.72Å; T1527-N1529 VanDerWaalsContact C-N 3.33Å; T1527-N1529 PolarHBondContact O-N 3.16Å; N1529-M1531 VanDerWaalsContact C-N 3.34Å; N1529-T1532 PolarHBondContact O-N 2.72Å |
| 1530 | E | 81.6 | Confident | 71.8 | Confident | 114 Ų | 114 | 73.8 Ų | 73.8 | 53% | 0.533 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 175.5 | -74.3 | -177.8 | 174.2 | 0 | 0 | 111.9 | K1515 E1526 T1527 T1532 | K1515-E1530 IonicContact NZ-OE1 3.55Å; K1515-E1530 PolarHBondContact NZ-OE1 3.02Å; K1515-E1530 IonicContact NZ-OE2 2.72Å; E1526-E1530 WeakPolarHBondContact O-CG 3.45Å; E1526-E1530 PolarHBondContact O-N 3.49Å; T1527-E1530 PolarHBondContact O-N 3.36Å; E1530-T1532 VanDerWaalsContact C-N 3.34Å |
| 1531 | M | 85.5 | Confident | 72.4 | Confident | 35 Ų | 35 | 70.7 Ų | 70.7 | 17% | 0.172 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5.7 | -178.5 | -63.7 | -63.4 | 173.1 | 0 | 0 | 113.5 | T1392 I1393 M1501 T1527 F1528 N1529 | T1392-M1531 CarbonylContact C-O 3.42Å; T1392-M1531 WeakPolarHBondContact CA-O 3.36Å; T1392-M1531 HydrophobicContact CG2-CB 4.31Å; I1393-M1531 HydrophobicContact CB-CB 4.32Å; I1393-M1531 HydrophobicContact CB-SD 4.35Å; I1393-M1531 PolarHBondContact N-O 3.47Å; M1501-M1531 HydrophobicContact CG-CB 4.43Å; M1501-M1531 HydrophobicContact SD-CB 4.07Å; M1501-M1531 HydrophobicContact SD-CG 4.16Å; T1527-M1531 HydrophobicContact CG2-CE 4.09Å; T1527-M1531 HydrophobicContact CG2-CG 3.93Å; T1527-M1531 VanDerWaalsContact O-CB 3.31Å; T1527-M1531 WeakPolarHBondContact O-CB 3.41Å; T1527-M1531 WeakPolarHBondContact O-CG 3.44Å; T1527-M1531 PolarHBondContact O-N 2.97Å; F1528-M1531 PolarHBondContact O-N 3.04Å; N1529-M1531 VanDerWaalsContact C-N 3.34Å |
| 1532 | T | 86.5 | Confident | 73.1 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 4% | 0.043 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -93.3 | 119.2 | 178.6 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | C1390 T1392 F1528 N1529 E1530 R1534 | C1390-T1532 HydrophobicContact CB-CG2 3.5Å; C1390-T1532 VanDerWaalsContact CB-CG2 3.5Å; T1392-T1532 PolarHBondContact OG1-OG1 3.27Å; T1392-T1532 VanDerWaalsContact OG1-OG1 3.09Å; F1528-T1532 WeakPolarHBondContact O-CB 3.44Å; F1528-T1532 PolarHBondContact O-N 3.09Å; F1528-T1532 VanDerWaalsContact O-N 3.17Å; F1528-T1532 PolarHBondContact O-OG1 3.17Å; N1529-T1532 PolarHBondContact O-N 2.72Å; E1530-T1532 VanDerWaalsContact C-N 3.34Å; T1532-R1534 PolarHBondContact O-N 2.92Å |
| 1533 | I | 84.1 | Confident | 72.9 | Confident | 62 Ų | 62 | 75.8 Ų | 75.8 | 32% | 0.318 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 122 | -176.7 | -57 | 174.5 | 0 | 0 | 0 | 109.4 | Y1391 I1393 M1407 T1535 | Y1391-I1533 WeakPolarHBondContact O-CB 3.38Å; Y1391-I1533 WeakPolarHBondContact O-CG1 3.4Å; Y1391-I1533 PolarHBondContact O-N 2.72Å; I1393-I1533 HydrophobicContact CD1-CG1 4.47Å; I1393-I1533 HydrophobicContact CG1-CD1 4.3Å; I1393-I1533 HydrophobicContact CG1-CG1 4.35Å; M1407-I1533 HydrophobicContact CE-CD1 3.9Å; M1407-I1533 HydrophobicContact SD-CD1 3.83Å; I1533-T1535 HydrophobicContact CG2-CG2 4.21Å |
| 1534 | R | 73.6 | Confident | 72.4 | Confident | 195 Ų | 195 | 82 Ų | 82 | 74% | 0.736 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -82.8 | 120.9 | 174.7 | -60.1 | -168.9 | 172.8 | 174.3 | 1.9 | 110.1 | T1532 H1540 | T1532-R1534 PolarHBondContact O-N 2.92Å; R1534-H1540 PolarHBondContact NE-NE2 2.84Å; R1534-H1540 VanDerWaalsContact NE-NE2 3.18Å |
| 1535 | T | 69.2 | Low | 71.1 | Confident | 76 Ų | 76 | 89 Ų | 89 | 47% | 0.466 | 43% | 0.425 | S | S | . | . | trans | -133 | 146.6 | 171.4 | 53.2 | 0 | 0 | 0 | 0 | 108.6 | I1533 D1537 C1538 | I1533-T1535 HydrophobicContact CG2-CG2 4.21Å; T1535-D1537 PolarHBondContact O-N 3.01Å; T1535-C1538 PolarHBondContact O-N 3.48Å; T1535-C1538 PolarHBondContact OG1-SG 2.97Å; T1535-C1538 VanDerWaalsContact OG1-SG 3.35Å | ||
| 1536 | D | 68.2 | Low | 69.5 | Low | 175 Ų | 175 | 96 Ų | 96 | 94% | 0.936 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -21.5 | -177.3 | -62.2 | -25.9 | 0 | 0 | 0 | 113.4 | ||
| 1537 | D | 69.9 | Low | 67.8 | Low | 132 Ų | 132 | 96.9 Ų | 96.9 | 71% | 0.706 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 0.6 | -177 | -60.1 | -39.6 | 0 | 0 | 0 | 115.2 | R1412 T1535 | R1412-D1537 PolarHBondContact NH2-O 2.78Å; T1535-D1537 PolarHBondContact O-N 3.01Å |
| 1538 | C | 76.5 | Confident | 66 | Low | 24 Ų | 24 | 99.5 Ų | 99.5 | 16% | 0.162 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -118.7 | 143 | -173.7 | 82.1 | 0 | 0 | 0 | 0 | 113.6 | C1390 T1535 | C1390-C1538 VanDerWaalsContact CA-SG 3.59Å; C1390-C1538 HydrophobicContact CB-CB 3.88Å; C1390-C1538 WeakPolarHBondContact CB-SG 3.34Å; C1390-C1538 WeakPolarHBondContact SG-CB 3.36Å; C1390-C1538 CovalentContact SG-SG 2.04Å; C1390-C1538 PolarHBondContact SG-SG 3.36Å; T1535-C1538 PolarHBondContact O-N 3.48Å; T1535-C1538 PolarHBondContact OG1-SG 2.97Å; T1535-C1538 VanDerWaalsContact OG1-SG 3.35Å |
| 1539 | Q | 70 | Confident | 63.8 | Low | 159 Ų | 159 | 105 Ų | 105 | 74% | 0.743 | 52% | 0.519 | S | S | * | . | trans | -83.8 | 114.2 | 172.7 | -75.1 | 177.2 | -18.2 | 0 | 0 | 109.9 | S1388 S1389 C1390 | S1388-Q1539 VanDerWaalsContact CB-O 3.3Å; S1388-Q1539 WeakPolarHBondContact CB-O 3.41Å; S1388-Q1539 PolarHBondContact OG-O 3.44Å; S1389-Q1539 PolarHBondContact OG-N 2.91Å; S1389-Q1539 PolarHBondContact OG-O 2.95Å; C1390-Q1539 PolarHBondContact SG-O 2.97Å | ||
| 1540 | H | 68.9 | Low | 61.8 | Low | 59 Ų | 59 | 110 Ų | 110 | 27% | 0.273 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 140.5 | 177.8 | -146.9 | -77.8 | 0 | 0 | 0 | 110.8 | R1534 Q1542 | R1534-H1540 PolarHBondContact NE-NE2 2.84Å; R1534-H1540 VanDerWaalsContact NE-NE2 3.18Å; H1540-Q1542 PolarHBondContact O-N 2.87Å |
| 1541 | P | 63.4 | Low | 59.7 | Low | 17 Ų | 17 | 108.8 Ų | 108.8 | 11% | 0.11 | 54% | 0.535 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 130.2 | 174.8 | 23.9 | -30.7 | 0 | 0 | 0 | 110.4 | S1388 W1525 F1528 | S1388-P1541 WeakPolarHBondContact OG-CD 3.07Å; W1525-P1541 HydrophobicContact CH2-CB 4.4Å; F1528-P1541 HydrophobicContact CD1-CG 4.4Å; F1528-P1541 HydrophobicContact CE1-CB 3.81Å; F1528-P1541 HydrophobicContact CE1-CG 3.37Å; F1528-P1541 HydrophobicContact CZ-CB 4.27Å; F1528-P1541 HydrophobicContact CZ-CG 3.75Å |
| 1542 | Q | 60.4 | Low | 57.3 | Low | 171 Ų | 171 | 111.5 Ų | 111.5 | 80% | 0.799 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -98 | 139.3 | 173.1 | -68.6 | -172.5 | -21.2 | 0 | 0 | 109.7 | H1540 Q1544 | H1540-Q1542 PolarHBondContact O-N 2.87Å; Q1542-Q1544 PolarHBondContact O-N 3.33Å |
| 1543 | R | 54.3 | Low | 54.6 | Low | 110 Ų | 110 | 119.5 Ų | 119.5 | 42% | 0.415 | 59% | 0.589 | S | S | . | * | trans | -72.3 | 111.3 | 176.9 | -148.5 | 179 | -154.7 | -164.5 | 2.1 | 107.7 | R1521 D1522 W1525 | R1521-R1543 PolarHBondContact O-NH2 2.94Å; D1522-R1543 IonicContact OD1-CZ 3.98Å; D1522-R1543 VanDerWaalsContact OD1-CZ 3.31Å; D1522-R1543 IonicContact OD1-NH1 2.71Å; D1522-R1543 PolarHBondContact OD1-NH1 2.86Å; D1522-R1543 IonicContact OD1-NH2 3.46Å; D1522-R1543 PolarHBondContact OD1-NH2 2.67Å; W1525-R1543 HydrophobicContact CD2-CG 3.92Å; W1525-R1543 VanDerWaalsContact CE2-CG 3.5Å; W1525-R1543 HydrophobicContact CE3-CG 4.4Å; W1525-R1543 HydrophobicContact CG-CG 4.43Å; W1525-R1543 VanDerWaalsContact CG-NE 3.28Å; W1525-R1543 HydrophobicContact CH2-CB 4.08Å; W1525-R1543 HydrophobicContact CH2-CG 4.17Å; W1525-R1543 HydrophobicContact CZ2-CB 3.44Å; W1525-R1543 VanDerWaalsContact CZ2-CB 3.44Å; W1525-R1543 HydrophobicContact CZ2-CG 3.67Å | ||
| 1544 | Q | 52.2 | Low | 52.1 | Low | 157 Ų | 157 | 119.7 Ų | 119.7 | 73% | 0.734 | 60% | 0.595 | S | S | * | * | trans | -88.6 | 116.9 | 175.4 | -76.9 | -179.8 | -29.5 | 0 | 0 | 109.4 | Q1542 Q1546 | Q1542-Q1544 PolarHBondContact O-N 3.33Å; Q1544-Q1546 PolarHBondContact O-N 3.09Å | ||
| 1545 | E | 44.2 | Very low | 50 | Low | 178 Ų | 178 | 118.3 Ų | 118.3 | 83% | 0.832 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | 4.5 | -173.3 | -69.9 | -179.2 | 151.3 | 0 | 0 | 115.2 | ||
| 1546 | Q | 39.2 | Very low | 48.1 | Very low | 190 Ų | 190 | 120.3 Ų | 120.3 | 89% | 0.888 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | 0.9 | -163.7 | -82.1 | -178.5 | -18.8 | 0 | 0 | 117.2 | Q1544 | Q1544-Q1546 PolarHBondContact O-N 3.09Š|
| 1547 | D | 38.5 | Very low | 46.3 | Very low | 115 Ų | 115 | 117.9 Ų | 117.9 | 62% | 0.615 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -116.8 | 21.6 | -175.8 | -135.8 | 3.1 | 0 | 0 | 0 | 113.6 | S1549 | D1547-S1549 PolarHBondContact O-N 3.35Š|
| 1548 | D | 37.5 | Very low | 44.3 | Very low | 69 Ų | 69 | 117.1 Ų | 117.1 | 37% | 0.369 | 59% | 0.592 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.6 | 5.4 | -149.6 | -99.1 | -17.8 | 0 | 0 | 0 | 115.9 | R1521 | R1521-D1548 VanDerWaalsContact CZ-CG 3.44Å; R1521-D1548 IonicContact CZ-OD1 3.4Å; R1521-D1548 IonicContact CZ-OD2 2.57Å; R1521-D1548 VanDerWaalsContact CZ-OD2 3.24Å; R1521-D1548 IonicContact NH1-OD1 3.89Å; R1521-D1548 PolarHBondContact NH1-OD1 3.42Å; R1521-D1548 IonicContact NH1-OD2 2.8Å; R1521-D1548 PolarHBondContact NH1-OD2 3.16Å; R1521-D1548 VanDerWaalsContact NH1-OD2 3.09Å; R1521-D1548 VanDerWaalsContact NH2-CG 3.29Å; R1521-D1548 IonicContact NH2-OD1 3.43Å; R1521-D1548 IonicContact NH2-OD2 3.03Å; R1521-D1548 PolarHBondContact NH2-OD2 3.28Å |
| 1549 | S | 37.4 | Very low | 42.1 | Very low | 115 Ų | 115 | 121.1 Ų | 121.1 | 80% | 0.804 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -6.9 | -172.4 | 58.6 | 0 | 0 | 0 | 0 | 115.2 | D1547 | D1547-S1549 PolarHBondContact O-N 3.35Š|
| 1550 | Q | 36.7 | Very low | 40 | Very low | 151 Ų | 151 | 120.8 Ų | 120.8 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -116.7 | 4.7 | -174.8 | -65 | -172 | 10.8 | 0 | 0 | 115.5 | ||
| 1551 | Q | 38.6 | Very low | 38 | Very low | 87 Ų | 87 | 123 Ų | 123 | 41% | 0.407 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -108.8 | 0.2 | -159.3 | -135.9 | 167 | 53.9 | 0 | 0 | 117.2 | R1384 | R1384-Q1551 HydrophobicContact CB-CG 4.15Å; R1384-Q1551 VanDerWaalsContact CD-CG 3.46Å; R1384-Q1551 HydrophobicContact CG-CG 4.41Å |
| 1552 | F | 33.1 | Very low | 36.4 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 41% | 0.408 | 68% | 0.679 | S | S | . | * | trans | -143.2 | 56.1 | -176.7 | -92.4 | -86.5 | 0 | 0 | 0 | 114.8 | I1524 | I1524-F1552 HydrophobicContact CD1-CE1 3.48Å; I1524-F1552 VanDerWaalsContact CD1-CE1 3.48Å; I1524-F1552 HydrophobicContact CD1-CZ 3.37Å | ||
| 1553 | D | 29.8 | Very low | 34.8 | Very low | 175 Ų | 175 | 125.8 Ų | 125.8 | 94% | 0.936 | 67% | 0.673 | S | S | * | * | trans | -99 | 104.1 | 159.9 | -82.6 | -29 | 0 | 0 | 0 | 109.5 | ||||
| 1554 | S | 32.4 | Very low | 33.5 | Very low | 65 Ų | 65 | 128.9 Ų | 128.9 | 46% | 0.455 | 69% | 0.685 | S | S | . | * | trans | -128.5 | 80.8 | 167.2 | 59.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1555 | Y | 29.5 | Very low | 32.5 | Very low | 166 Ų | 166 | 129.4 Ų | 129.4 | 65% | 0.651 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -163.6 | 115.7 | 139.3 | -95.9 | -62.6 | 0 | 0 | 0 | 109.4 | ||
| 1556 | D | 29.5 | Very low | 31.7 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 77.3 | 93.1 | 166.9 | -57.5 | -44.3 | 0 | 0 | 0 | 119 | R728 | R728-D1556 IonicContact CZ-OD2 3.09Å; R728-D1556 IonicContact NE-OD2 2.94Å; R728-D1556 IonicContact NH2-OD2 3.35Å; R728-D1556 PolarHBondContact NH2-OD2 3.32Å |
| 1557 | S | 31 | Very low | 31.1 | Very low | 124 Ų | 124 | 126.6 Ų | 126.6 | 87% | 0.867 | 68% | 0.683 | S | S | * | * | 165.8 | 143.2 | 127.8 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1558 | D | 27.8 | Very low | 30.5 | Very low | 115 Ų | 115 | 130 Ų | 130 | 62% | 0.615 | 70% | 0.695 | S | S | * | * | trans | -65.2 | 172.3 | 175.3 | -58.7 | -64 | 0 | 0 | 0 | 112.6 | K724 | K724-D1558 IonicContact NZ-OD1 3.56Å; K724-D1558 PolarHBondContact NZ-OD1 3.13Å; K724-D1558 IonicContact NZ-OD2 2.87Å; K724-D1558 PolarHBondContact NZ-OD2 2.94Å | ||
| 1559 | S | 28.6 | Very low | 30 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 76% | 0.762 | 72% | 0.722 | S | S | * | * | trans | 83.8 | 112.6 | 163.4 | 67.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 1560 | D | 27.5 | Very low | 29.4 | Very low | 151 Ų | 151 | 134.3 Ų | 134.3 | 81% | 0.807 | 72% | 0.717 | S | S | * | * | trans | 38.4 | 135.3 | 131.3 | -59 | -33 | 0 | 0 | 0 | 122.1 | ||||
| 1561 | S | 27.4 | Very low | 28.9 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | 78.1 | 115.6 | 150.7 | 71.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1562 | N | 28.5 | Very low | 28.4 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | -162.3 | 97.2 | 127.3 | -96.9 | -10.8 | 0 | 0 | 0 | 108.8 | |||||
| 1563 | S | 27 | Very low | 28.2 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | trans | -82.1 | 127 | 135.3 | 62.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1564 | Y | 27.6 | Very low | 28 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | 171.3 | 102.3 | 124.9 | -110.7 | -102.9 | 0 | 0 | 0 | 108.3 | W1567 | Y1564-W1567 AromaticContact CE1-CD1 3.35Å; Y1564-W1567 HydrophobicContact CE1-CG 4.36Å; Y1564-W1567 AromaticContact CE1-NE1 3.91Å | |||
| 1565 | D | 29.8 | Very low | 27.8 | Very low | 168 Ų | 168 | 148 Ų | 148 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | trans | -150.4 | 92.1 | 143.3 | -111.8 | -17.3 | 0 | 0 | 0 | 107.9 | ||||
| 1566 | S | 28 | Very low | 27.9 | Very low | 102 Ų | 102 | 146.9 Ų | 146.9 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | -177 | 67.4 | 156.1 | 176.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1567 | W | 25.7 | Very low | 28.1 | Very low | 207 Ų | 207 | 147.8 Ų | 147.8 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | trans | -140.3 | 66 | 154.7 | -75.7 | 89 | 0 | 0 | 0 | 109.6 | Y1564 | Y1564-W1567 AromaticContact CE1-CD1 3.35Å; Y1564-W1567 HydrophobicContact CE1-CG 4.36Å; Y1564-W1567 AromaticContact CE1-NE1 3.91Å | ||
| 1568 | E | 26.5 | Very low | 28.1 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 87% | 0.874 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -143.2 | 47.8 | 159 | -149.2 | 175.7 | -147.8 | 0 | 0 | 110.4 | ||
| 1569 | M | 26.5 | Very low | 28.3 | Very low | 191 Ų | 191 | 147.7 Ų | 147.7 | 94% | 0.941 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -162.3 | 42 | 171 | -120.4 | -177.1 | -93 | 0 | 0 | 115.5 | ||
| 1570 | A | 26.2 | Very low | 28.4 | Very low | 83 Ų | 83 | 146.3 Ų | 146.3 | 69% | 0.686 | 76% | 0.756 | S | S | * | * | trans | -161.8 | 77.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1571 | R | 26.1 | Very low | 28.8 | Very low | 241 Ų | 241 | 148.4 Ų | 148.4 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -63.9 | 131.8 | 147.6 | -72.9 | -177.9 | -178.2 | 119.9 | 2.9 | 106.7 | ||||
| 1572 | Q | 27.9 | Very low | 29.2 | Very low | 165 Ų | 165 | 148.9 Ų | 148.9 | 77% | 0.771 | 75% | 0.748 | S | S | * | * | trans | 121 | 118.1 | 150.3 | -67.5 | 177.2 | -25.3 | 0 | 0 | 116.1 | ||||
| 1573 | H | 29.1 | Very low | 29.5 | Very low | 148 Ų | 148 | 149 Ų | 149 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | 75.1 | 134.9 | 156.5 | -58.7 | -57 | 0 | 0 | 0 | 116.7 | ||||
| 1574 | R | 25.8 | Very low | 29.8 | Very low | 211 Ų | 211 | 152.9 Ų | 152.9 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | cis | 179 | 148.6 | -9.1 | -128.9 | 178.3 | -171.5 | 168.3 | -0.5 | 103.8 | ||||
| 1575 | S | 28.7 | Very low | 30.1 | Very low | 93 Ų | 93 | 153 Ų | 153 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | trans | 63.7 | 115.2 | 150.1 | 55.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1576 | D | 30.8 | Very low | 30.4 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | 104.3 | 126.1 | 121 | -65.8 | -8.4 | 0 | 0 | 0 | 121.7 | |||||
| 1577 | D | 33.1 | Very low | 30.6 | Very low | 137 Ų | 137 | 153.6 Ų | 153.6 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | trans | 92.4 | 83.7 | 143.2 | -63.3 | -23.5 | 0 | 0 | 0 | 122.6 | ||||
| 1578 | S | 31.4 | Very low | 30.8 | Very low | 93 Ų | 93 | 149.6 Ų | 149.6 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | 66.4 | 143.9 | 99.1 | 74.3 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1579 | I | 31.6 | Very low | 31 | Very low | 144 Ų | 144 | 148.9 Ų | 148.9 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 99.1 | 93.1 | 156.3 | -52.9 | 169.6 | 0 | 0 | 0 | 115.1 | ||||
| 1580 | S | 32 | Very low | 31.2 | Very low | 81 Ų | 81 | 148.1 Ų | 148.1 | 57% | 0.566 | 76% | 0.755 | S | S | * | * | 67.7 | 130 | 77.7 | 78.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1581 | Y | 34.5 | Very low | 31.6 | Very low | 194 Ų | 194 | 151.7 Ų | 151.7 | 76% | 0.761 | 76% | 0.763 | S | S | * | * | -162.4 | 142.8 | 62.7 | -89.5 | -83.7 | 0 | 0 | 0 | 114.1 | |||||
| 1582 | D | 36.3 | Very low | 31.9 | Very low | 118 Ų | 118 | 144.7 Ų | 144.7 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | trans | 89.8 | 84.7 | 136 | -58.2 | -20.4 | 0 | 0 | 0 | 123.2 | ||||
| 1583 | D | 34.3 | Very low | 32.5 | Very low | 151 Ų | 151 | 140.1 Ų | 140.1 | 81% | 0.807 | 73% | 0.732 | S | S | * | * | 81.4 | 131.8 | 98.9 | -68.7 | -4 | 0 | 0 | 0 | 123.1 | |||||
| 1584 | E | 34.1 | Very low | 32.9 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | trans | -97.4 | 175.2 | -166.1 | -54.5 | 178.1 | 147.5 | 0 | 0 | 111.5 | ||||
| 1585 | E | 34.1 | Very low | 33.5 | Very low | 178 Ų | 178 | 136.5 Ų | 136.5 | 83% | 0.832 | 72% | 0.724 | S | S | * | * | -164.9 | 129.3 | 117.3 | -106.2 | -176.3 | 176.4 | 0 | 0 | 113.9 | |||||
| 1586 | E | 35.3 | Very low | 34.2 | Very low | 174 Ų | 174 | 136.9 Ų | 136.9 | 81% | 0.813 | 72% | 0.715 | S | S | * | * | trans | 99.1 | 107.1 | 137.4 | -74.6 | -169.2 | 153.2 | 0 | 0 | 123.1 | ||||
| 1587 | S | 33.2 | Very low | 34.8 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 70% | 0.703 | S | S | * | * | trans | -110.1 | 156.1 | 165.6 | 60.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1588 | S | 28.8 | Very low | 35.3 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 85% | 0.853 | 70% | 0.696 | S | S | * | * | trans | 171.7 | 111.5 | 136.8 | 48.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1589 | M | 30.7 | Very low | 35.9 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 85% | 0.847 | 70% | 0.697 | S | S | * | * | trans | 174.2 | 70 | 147.7 | -172.4 | 167.7 | 165.4 | 0 | 0 | 108.1 | ||||
| 1590 | F | 31.2 | Very low | 36.5 | Very low | 176 Ų | 176 | 138.2 Ų | 138.2 | 77% | 0.772 | 69% | 0.686 | S | S | * | * | trans | -146 | 90 | 174.1 | -90.5 | -85.2 | 0 | 0 | 0 | 108 | ||||
| 1591 | D | 35.1 | Very low | 37.1 | Very low | 157 Ų | 157 | 137.9 Ų | 137.9 | 84% | 0.84 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -153.4 | -5.8 | 165.3 | -121.4 | -11.4 | 0 | 0 | 0 | 115.6 | ||
| 1592 | S | 32.3 | Very low | 37.4 | Very low | 94 Ų | 94 | 135.1 Ų | 135.1 | 66% | 0.657 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -112.6 | -11.6 | 177.2 | 53.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1593 | D | 39.3 | Very low | 37.5 | Very low | 70 Ų | 70 | 135.8 Ų | 135.8 | 37% | 0.374 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -89.7 | -19.2 | -176.9 | -79.1 | -31.4 | 0 | 0 | 0 | 113.5 | Q1595 Q1596 Q1597 | D1593-Q1595 PolarHBondContact O-N 3.17Å; D1593-Q1596 CarbonylContact O-C 3.51Å; D1593-Q1596 PolarHBondContact O-N 3.3Å; D1593-Q1597 VanDerWaalsContact O-CB 3.27Å; D1593-Q1597 WeakPolarHBondContact O-CB 3.5Å; D1593-Q1597 PolarHBondContact O-N 3.15Å |
| 1594 | Q | 38.2 | Very low | 37.7 | Very low | 129 Ų | 129 | 135.9 Ų | 135.9 | 60% | 0.603 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.7 | -33.7 | -177.3 | -77.6 | -172.4 | -1.1 | 0 | 0 | 113.7 | Q1598 | Q1594-Q1598 WeakPolarHBondContact O-CB 3.4Å; Q1594-Q1598 VanDerWaalsContact O-CG 3.31Å; Q1594-Q1598 WeakPolarHBondContact O-CG 3.5Å; Q1594-Q1598 PolarHBondContact O-N 3.01Å |
| 1595 | Q | 39.3 | Very low | 37.8 | Very low | 153 Ų | 153 | 133 Ų | 133 | 72% | 0.715 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -79.8 | -25.5 | 174.9 | -72.8 | -175.2 | 7 | 0 | 0 | 113.1 | D1593 R1599 | D1593-Q1595 PolarHBondContact O-N 3.17Å; Q1595-R1599 WeakPolarHBondContact O-CB 3.47Å; Q1595-R1599 WeakPolarHBondContact O-CG 3.46Å; Q1595-R1599 PolarHBondContact O-N 3.31Å |
| 1596 | Q | 42.1 | Very low | 37.9 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 47% | 0.472 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -81.8 | -29.8 | 171.3 | -88.7 | -170.1 | 11.4 | 0 | 0 | 112.8 | D1593 R1600 | D1593-Q1596 CarbonylContact O-C 3.51Å; D1593-Q1596 PolarHBondContact O-N 3.3Å; Q1596-R1600 WeakPolarHBondContact O-CB 3.49Å; Q1596-R1600 WeakPolarHBondContact O-CG 3.46Å; Q1596-R1600 PolarHBondContact O-N 3.27Å |
| 1597 | Q | 44.8 | Very low | 37.8 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 51% | 0.514 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.6 | -44.9 | 172.6 | -140.4 | 102.7 | -7.9 | 0 | 0 | 109.4 | D1593 R1599 R1600 D1601 | D1593-Q1597 VanDerWaalsContact O-CB 3.27Å; D1593-Q1597 WeakPolarHBondContact O-CB 3.5Å; D1593-Q1597 PolarHBondContact O-N 3.15Å; Q1597-R1599 PolarHBondContact O-N 3.05Å; Q1597-R1600 CarbonylContact O-C 3.51Å; Q1597-R1600 PolarHBondContact O-N 2.91Å; Q1597-D1601 WeakPolarHBondContact O-CB 3.39Å; Q1597-D1601 PolarHBondContact O-N 3.15Å; Q1597-D1601 VanDerWaalsContact O-OD2 3.13Å |
| 1598 | Q | 43.4 | Very low | 37.8 | Very low | 125 Ų | 125 | 133.2 Ų | 133.2 | 58% | 0.584 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.4 | -35.9 | 176.3 | -77.5 | 177.5 | -4 | 0 | 0 | 113 | Q1594 Q1602 | Q1594-Q1598 WeakPolarHBondContact O-CB 3.4Å; Q1594-Q1598 VanDerWaalsContact O-CG 3.31Å; Q1594-Q1598 WeakPolarHBondContact O-CG 3.5Å; Q1594-Q1598 PolarHBondContact O-N 3.01Å; Q1598-Q1602 VanDerWaalsContact O-CB 3.28Å; Q1598-Q1602 WeakPolarHBondContact O-CB 3.14Å; Q1598-Q1602 VanDerWaalsContact O-CG 3.31Å; Q1598-Q1602 WeakPolarHBondContact O-CG 3.27Å; Q1598-Q1602 PolarHBondContact O-N 3.14Å |
| 1599 | R | 43.1 | Very low | 37.9 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.1 | -39.1 | 171.4 | -76.4 | -173.8 | -173.1 | -142.7 | 3.5 | 112.8 | Q1595 Q1597 D1601 Q1602 E1603 | Q1595-R1599 WeakPolarHBondContact O-CB 3.47Å; Q1595-R1599 WeakPolarHBondContact O-CG 3.46Å; Q1595-R1599 PolarHBondContact O-N 3.31Å; Q1597-R1599 PolarHBondContact O-N 3.05Å; R1599-D1601 VanDerWaalsContact C-N 3.33Å; R1599-Q1602 PolarHBondContact O-N 3.32Å; R1599-E1603 VanDerWaalsContact O-CB 3.31Å; R1599-E1603 WeakPolarHBondContact O-CB 3.15Å; R1599-E1603 VanDerWaalsContact O-CG 3.3Å; R1599-E1603 WeakPolarHBondContact O-CG 3.34Å; R1599-E1603 PolarHBondContact O-N 3.43Å |
| 1600 | R | 44 | Very low | 37.9 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -70.9 | -26.9 | 175.1 | -74.9 | -177.8 | -136.4 | -155.6 | 8.8 | 112.7 | Q1596 Q1597 R1604 | Q1596-R1600 WeakPolarHBondContact O-CB 3.49Å; Q1596-R1600 WeakPolarHBondContact O-CG 3.46Å; Q1596-R1600 PolarHBondContact O-N 3.27Å; Q1597-R1600 CarbonylContact O-C 3.51Å; Q1597-R1600 PolarHBondContact O-N 2.91Å; R1600-R1604 WeakPolarHBondContact O-CB 3.38Å; R1600-R1604 PolarHBondContact O-N 3.09Å |
| 1601 | D | 44.4 | Very low | 38.1 | Very low | 74 Ų | 74 | 132 Ų | 132 | 40% | 0.396 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -85.8 | -28.8 | 177.6 | -67.9 | -26.3 | 0 | 0 | 0 | 111.3 | Q1597 R1599 N1605 | Q1597-D1601 WeakPolarHBondContact O-CB 3.39Å; Q1597-D1601 PolarHBondContact O-N 3.15Å; Q1597-D1601 VanDerWaalsContact O-OD2 3.13Å; R1599-D1601 VanDerWaalsContact C-N 3.33Å; D1601-N1605 WeakPolarHBondContact O-CB 3.16Å; D1601-N1605 PolarHBondContact O-N 3.16Å; D1601-N1605 PolarHBondContact O-ND2 2.88Å |
| 1602 | Q | 41.1 | Very low | 38 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.5 | -36.7 | 166.4 | -77.7 | -179.7 | -15.4 | 0 | 0 | 112.5 | Q1598 R1599 Q1606 | Q1598-Q1602 VanDerWaalsContact O-CB 3.28Å; Q1598-Q1602 WeakPolarHBondContact O-CB 3.14Å; Q1598-Q1602 VanDerWaalsContact O-CG 3.31Å; Q1598-Q1602 WeakPolarHBondContact O-CG 3.27Å; Q1598-Q1602 PolarHBondContact O-N 3.14Å; R1599-Q1602 PolarHBondContact O-N 3.32Å; Q1602-Q1606 WeakPolarHBondContact O-CG 3.35Å; Q1602-Q1606 PolarHBondContact O-N 3.45Å |
| 1603 | E | 38.7 | Very low | 38.2 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 61% | 0.612 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.3 | -35.1 | 172.5 | -75.3 | 175.7 | 177.4 | 0 | 0 | 111.9 | R1599 Q1606 H1607 | R1599-E1603 VanDerWaalsContact O-CB 3.31Å; R1599-E1603 WeakPolarHBondContact O-CB 3.15Å; R1599-E1603 VanDerWaalsContact O-CG 3.3Å; R1599-E1603 WeakPolarHBondContact O-CG 3.34Å; R1599-E1603 PolarHBondContact O-N 3.43Å; E1603-Q1606 PolarHBondContact O-N 3.08Å; E1603-H1607 WeakPolarHBondContact O-CB 3.29Å; E1603-H1607 PolarHBondContact O-N 3.33Å |
| 1604 | R | 38.7 | Very low | 38 | Very low | 154 Ų | 154 | 131.4 Ų | 131.4 | 58% | 0.581 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73.8 | -32.1 | 175.5 | -164.2 | 177.5 | -71.6 | -162.3 | -0.1 | 111.6 | R1600 H1607 Y1608 | R1600-R1604 WeakPolarHBondContact O-CB 3.38Å; R1600-R1604 PolarHBondContact O-N 3.09Å; R1604-H1607 PolarHBondContact O-N 3.19Å; R1604-Y1608 HydrophobicContact CG-CD2 4.15Å; R1604-Y1608 HydrophobicContact CG-CE2 4.14Å; R1604-Y1608 WeakPolarHBondContact O-CD2 3.45Å; R1604-Y1608 PolarHBondContact O-N 3.39Å; R1604-Y1608 VanDerWaalsContact O-N 3.15Å |
| 1605 | N | 36.7 | Very low | 38.2 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 63% | 0.626 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -78.4 | -18.1 | 172.1 | -80.1 | -26.1 | 0 | 0 | 0 | 114.5 | D1601 | D1601-N1605 WeakPolarHBondContact O-CB 3.16Å; D1601-N1605 PolarHBondContact O-N 3.16Å; D1601-N1605 PolarHBondContact O-ND2 2.88Å |
| 1606 | Q | 34.7 | Very low | 38.5 | Very low | 152 Ų | 152 | 129 Ų | 129 | 71% | 0.71 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -86.4 | -24.5 | 167.1 | -75.8 | -177.1 | -7.9 | 0 | 0 | 112.8 | Q1602 E1603 | Q1602-Q1606 WeakPolarHBondContact O-CG 3.35Å; Q1602-Q1606 PolarHBondContact O-N 3.45Å; E1603-Q1606 PolarHBondContact O-N 3.08Å |
| 1607 | H | 34.5 | Very low | 38.8 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 62% | 0.616 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -84.3 | -17.4 | 176.5 | -143.3 | -32.8 | 0 | 0 | 0 | 114.5 | E1603 R1604 | E1603-H1607 WeakPolarHBondContact O-CB 3.29Å; E1603-H1607 PolarHBondContact O-N 3.33Å; R1604-H1607 PolarHBondContact O-N 3.19Å |
| 1608 | Y | 33.7 | Very low | 39.3 | Very low | 180 Ų | 180 | 124.6 Ų | 124.6 | 71% | 0.706 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -91 | -5.7 | 170.9 | -88.1 | -82.8 | 0 | 0 | 0 | 114.2 | R1604 | R1604-Y1608 HydrophobicContact CG-CD2 4.15Å; R1604-Y1608 HydrophobicContact CG-CE2 4.14Å; R1604-Y1608 WeakPolarHBondContact O-CD2 3.45Å; R1604-Y1608 PolarHBondContact O-N 3.39Å; R1604-Y1608 VanDerWaalsContact O-N 3.15Å |
| 1609 | R | 29.6 | Very low | 40.4 | Very low | 235 Ų | 235 | 125 Ų | 125 | 89% | 0.887 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -92.7 | 5 | 172.5 | -92.4 | -179 | 170.8 | 169.8 | -0.7 | 114.1 | ||
| 1610 | S | 32 | Very low | 41.7 | Very low | 73 Ų | 73 | 118.6 Ų | 118.6 | 51% | 0.51 | 58% | 0.577 | S | S | . | * | trans | -131.8 | 5.7 | -178.4 | 60.7 | 0 | 0 | 0 | 0 | 116.2 | A1612 | S1610-A1612 VanDerWaalsContact C-N 3.26Å; S1610-A1612 PolarHBondContact O-N 2.98Å | ||
| 1611 | L | 34 | Very low | 43.3 | Very low | 136 Ų | 136 | 115.9 Ų | 115.9 | 71% | 0.712 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -84.5 | 85.3 | 165.3 | -81.2 | 158.6 | 0 | 0 | 0 | 108.2 | ||
| 1612 | A | 33.6 | Very low | 45.1 | Very low | 46 Ų | 46 | 114.3 Ų | 114.3 | 38% | 0.38 | 58% | 0.577 | S | S | . | * | trans | -70.5 | 159.7 | -148.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1610 D1614 D1615 | S1610-A1612 VanDerWaalsContact C-N 3.26Å; S1610-A1612 PolarHBondContact O-N 2.98Å; A1612-D1614 HydrophobicContact CB-CB 4.06Å; A1612-D1614 WeakPolarHBondContact CB-OD2 3.38Å; A1612-D1614 PolarHBondContact O-N 2.71Å; A1612-D1615 PolarHBondContact O-N 2.91Å | ||
| 1613 | I | 35.7 | Very low | 47.1 | Very low | 145 Ų | 145 | 110.2 Ų | 110.2 | 74% | 0.744 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -48.6 | -1.5 | 160.8 | -71.7 | 164.7 | 0 | 0 | 0 | 113 | L1617 | I1613-L1617 HydrophobicContact CG2-CD1 3.95Å; I1613-L1617 VanDerWaalsContact O-CD1 3.3Å; I1613-L1617 WeakPolarHBondContact O-CD1 3.19Å; I1613-L1617 WeakPolarHBondContact O-CG 3.34Å |
| 1614 | D | 36.4 | Very low | 49.3 | Very low | 117 Ų | 117 | 112.4 Ų | 112.4 | 63% | 0.626 | 56% | 0.564 | S | S | * | * | G | 310 helix | trans | -73.8 | -25 | 176.5 | -64.9 | -29.9 | 0 | 0 | 0 | 114.7 | A1612 V1616 | A1612-D1614 HydrophobicContact CB-CB 4.06Å; A1612-D1614 WeakPolarHBondContact CB-OD2 3.38Å; A1612-D1614 PolarHBondContact O-N 2.71Å; D1614-V1616 VanDerWaalsContact C-N 3.32Å; D1614-V1616 PolarHBondContact O-N 3.31Å |
| 1615 | D | 41.1 | Very low | 51.4 | Low | 156 Ų | 156 | 109.4 Ų | 109.4 | 83% | 0.834 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -83.8 | -1 | -175.8 | -87.2 | -11.3 | 0 | 0 | 0 | 115.1 | A1612 | A1612-D1615 PolarHBondContact O-N 2.91Š|
| 1616 | V | 47 | Very low | 53.8 | Low | 75 Ų | 75 | 105 Ų | 105 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | G | 310 helix | trans | -115.6 | -2.4 | 177.9 | -168.5 | 0 | 0 | 0 | 0 | 111.3 | D1614 I1708 V1709 | D1614-V1616 VanDerWaalsContact C-N 3.32Å; D1614-V1616 PolarHBondContact O-N 3.31Å; V1616-I1708 HydrophobicContact CG1-CG2 4.09Å; V1616-I1708 WeakPolarHBondContact O-CA 3.49Å; V1616-V1709 PolarHBondContact O-N 2.99Å; V1616-V1709 VanDerWaalsContact O-N 3.09Å |
| 1617 | L | 47.9 | Very low | 56.3 | Low | 52 Ų | 52 | 101.3 Ų | 101.3 | 27% | 0.272 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 105.8 | -177.7 | -70.6 | 175.6 | 0 | 0 | 0 | 110 | I1613 I1706 S1707 I1708 | I1613-L1617 HydrophobicContact CG2-CD1 3.95Å; I1613-L1617 VanDerWaalsContact O-CD1 3.3Å; I1613-L1617 WeakPolarHBondContact O-CD1 3.19Å; I1613-L1617 WeakPolarHBondContact O-CG 3.34Å; L1617-I1706 HydrophobicContact CB-CG2 3.81Å; L1617-I1706 HydrophobicContact CD2-CG2 4.49Å; L1617-S1707 CarbonylContact C-O 3.51Å; L1617-S1707 WeakPolarHBondContact CA-O 3.41Å; L1617-I1708 HydrophobicContact CD2-CG1 3.87Å |
| 1618 | T | 55.2 | Low | 58.8 | Low | 67 Ų | 67 | 96.9 Ų | 96.9 | 41% | 0.411 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.3 | 171.5 | 38.7 | 0 | 0 | 0 | 0 | 110.9 | T1620 I1706 S1707 V1709 | T1618-T1620 PolarHBondContact O-N 3.38Å; T1618-I1706 WeakPolarHBondContact O-CA 3.47Å; T1618-S1707 PolarHBondContact N-O 2.82Å; T1618-S1707 PolarHBondContact O-N 3.47Å; T1618-S1707 PolarHBondContact OG1-O 2.87Å; T1618-S1707 PolarHBondContact OG1-OG 2.91Å; T1618-V1709 HydrophobicContact CG2-CG2 3.53Å; T1618-V1709 WeakPolarHBondContact OG1-CG2 3.49Å |
| 1619 | E | 66.8 | Low | 61.3 | Low | 134 Ų | 134 | 89.2 Ų | 89.2 | 63% | 0.626 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61 | 130.5 | 167.3 | -74.5 | -175.4 | -169.3 | 0 | 0 | 110.4 | K1704 C1705 | E1619-K1704 VanDerWaalsContact CD-NZ 3.26Å; E1619-K1704 WeakPolarHBondContact OE1-CE 3.3Å; E1619-K1704 IonicContact OE1-NZ 3.67Å; E1619-K1704 PolarHBondContact OE1-NZ 2.89Å; E1619-K1704 WeakPolarHBondContact OE2-CE 3.37Å; E1619-K1704 IonicContact OE2-NZ 3.94Å; E1619-K1704 PolarHBondContact OE2-NZ 3.37Å; E1619-C1705 WeakPolarHBondContact CA-O 3.35Å |
| 1620 | T | 70 | Confident | 63.8 | Low | 42 Ų | 42 | 84.1 Ų | 84.1 | 26% | 0.258 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 140.3 | 175.6 | 45.4 | 0 | 0 | 0 | 0 | 109.2 | T1618 P1646 C1705 | T1618-T1620 PolarHBondContact O-N 3.38Å; T1620-P1646 HydrophobicContact CG2-CG 4.4Å; T1620-C1705 PolarHBondContact N-O 2.8Å; T1620-C1705 VanDerWaalsContact O-CB 3.32Å; T1620-C1705 WeakPolarHBondContact O-CB 3.49Å; T1620-C1705 PolarHBondContact O-N 3.04Å |
| 1621 | A | 76.7 | Confident | 66 | Low | 79 Ų | 79 | 82.5 Ų | 82.5 | 65% | 0.653 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 142.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | V1623 | A1621-V1623 PolarHBondContact O-N 3.39Š|
| 1622 | P | 82.6 | Confident | 68 | Low | 41 Ų | 41 | 87.7 Ų | 87.7 | 27% | 0.266 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 135 | 170.9 | -20.7 | 30.7 | 0 | 0 | 0 | 111.2 | E1643 S1644 | P1622-E1643 HydrophobicContact CB-CB 4.05Å; P1622-E1643 HydrophobicContact CB-CG 4.25Å; P1622-S1644 CarbonylContact C-O 3.48Å; P1622-S1644 WeakPolarHBondContact CA-O 3.33Å |
| 1623 | V | 82.8 | Confident | 69.8 | Low | 50 Ų | 50 | 89.2 Ų | 89.2 | 30% | 0.303 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 137.4 | 173.8 | -68.9 | 0 | 0 | 0 | 0 | 110.5 | A1621 R1625 S1644 P1646 | A1621-V1623 PolarHBondContact O-N 3.39Å; V1623-R1625 HydrophobicContact CG2-CG 4.39Å; V1623-S1644 VanDerWaalsContact CG2-O 3.27Å; V1623-S1644 WeakPolarHBondContact CG2-O 3.5Å; V1623-S1644 PolarHBondContact N-O 3.43Å; V1623-S1644 PolarHBondContact O-N 3.02Å; V1623-S1644 PolarHBondContact O-OG 3.09Å; V1623-P1646 HydrophobicContact CG1-CB 4.41Å; V1623-P1646 HydrophobicContact CG2-CB 4.4Å |
| 1624 | R | 86 | Confident | 71.9 | Confident | 176 Ų | 176 | 89.3 Ų | 89.3 | 66% | 0.664 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 116.2 | 177.5 | -75 | -171 | 178.2 | -176.5 | 0.4 | 110.7 | P1641 I1642 | R1624-P1641 HydrophobicContact CB-CB 3.93Å; R1624-I1642 WeakPolarHBondContact CA-O 3.06Å |
| 1625 | R | 81.9 | Confident | 74.1 | Confident | 91 Ų | 91 | 86.4 Ų | 86.4 | 34% | 0.343 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 142.5 | 179 | -65.3 | -179.5 | 173.7 | -174.4 | -2.4 | 109.8 | V1623 K1627 I1642 E1647 | V1623-R1625 HydrophobicContact CG2-CG 4.39Å; R1625-K1627 PolarHBondContact O-N 2.99Å; R1625-I1642 PolarHBondContact N-O 2.84Å; R1625-I1642 PolarHBondContact O-N 3.09Å; R1625-E1647 IonicContact CZ-OE2 3.58Å; R1625-E1647 IonicContact NH1-OE1 3.52Å; R1625-E1647 IonicContact NH1-OE2 2.62Å; R1625-E1647 IonicContact NH2-OE2 3.45Å; R1625-E1647 PolarHBondContact NH2-OE2 3.01Å; R1625-E1647 VanDerWaalsContact NH2-OE2 3.14Å |
| 1626 | N | 88.2 | Confident | 76.4 | Confident | 26 Ų | 26 | 79 Ų | 79 | 14% | 0.139 | 41% | 0.407 | C | S | . | . | trans | -69 | 129.1 | 170.6 | -64.4 | 77 | 0 | 0 | 0 | 109.4 | I1637 S1638 M1686 | N1626-I1637 HydrophobicContact CB-CD1 3.88Å; N1626-I1637 HydrophobicContact CB-CG1 3.79Å; N1626-S1638 WeakPolarHBondContact CA-OG 3.42Å; N1626-S1638 PolarHBondContact ND2-O 3.46Å; N1626-M1686 PolarHBondContact ND2-O 2.84Å; N1626-M1686 PolarHBondContact OD1-N 3.37Å; N1626-M1686 PolarHBondContact OD1-O 2.76Å | ||
| 1627 | K | 86.8 | Confident | 78.4 | Confident | 74 Ų | 74 | 75.7 Ų | 75.7 | 32% | 0.322 | 39% | 0.386 | S | S | . | . | trans | -84.4 | 128.4 | 177.8 | -175.3 | 160.9 | 174.6 | 169.2 | 0 | 109.4 | R1625 I1629 I1637 S1638 I1642 Y1663 E1699 | R1625-K1627 PolarHBondContact O-N 2.99Å; K1627-I1629 HydrophobicContact CG-CG2 4.13Å; K1627-I1637 CarbonylContact O-C 3.53Å; K1627-I1637 WeakPolarHBondContact O-CA 3.19Å; K1627-S1638 PolarHBondContact N-OG 3.15Å; K1627-S1638 PolarHBondContact O-N 3.42Å; K1627-I1642 HydrophobicContact CB-CD1 3.58Å; K1627-I1642 HydrophobicContact CB-CG1 4.02Å; K1627-I1642 HydrophobicContact CD-CD1 3.51Å; K1627-I1642 HydrophobicContact CG-CD1 4.18Å; K1627-Y1663 HydrophobicContact CB-CE1 4.42Å; K1627-Y1663 VanDerWaalsContact CD-OH 3.29Å; K1627-Y1663 WeakPolarHBondContact CD-OH 3.28Å; K1627-Y1663 HydrophobicContact CG-CE1 4.49Å; K1627-Y1663 VanDerWaalsContact CG-OH 3.31Å; K1627-Y1663 WeakPolarHBondContact CG-OH 3.34Å; K1627-Y1663 WeakPolarHBondContact O-CE1 3.4Å; K1627-E1699 WeakPolarHBondContact CE-OE2 3.1Å; K1627-E1699 IonicContact NZ-OE1 2.9Å; K1627-E1699 IonicContact NZ-OE2 2.79Å; K1627-E1699 PolarHBondContact NZ-OE2 2.86Å | ||
| 1628 | V | 86.3 | Confident | 80.5 | Confident | 40 Ų | 40 | 73.2 Ų | 73.2 | 24% | 0.242 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.1 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | C1636 I1637 I1676 | V1628-C1636 CarbonylContact C-O 3.5Å; V1628-C1636 WeakPolarHBondContact CA-O 3.46Å; V1628-I1637 HydrophobicContact CG2-CB 4.36Å; V1628-I1637 HydrophobicContact CG2-CD1 4.07Å; V1628-I1637 HydrophobicContact CG2-CG1 4.05Å; V1628-I1676 HydrophobicContact CG1-CD1 4.41Å; V1628-I1676 HydrophobicContact CG1-CG2 4.4Å; V1628-I1676 HydrophobicContact CG2-CD1 4.36Å; V1628-I1676 HydrophobicContact CG2-CG2 4.23Å |
| 1629 | I | 86.8 | Confident | 82.2 | Confident | 18 Ų | 18 | 70.9 Ų | 70.9 | 9% | 0.092 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 146.4 | 177.9 | 61.6 | 179.1 | 0 | 0 | 0 | 109.9 | K1627 C1636 Y1663 F1695 | K1627-I1629 HydrophobicContact CG-CG2 4.13Å; I1629-C1636 HydrophobicContact CG1-CB 4.06Å; I1629-C1636 PolarHBondContact N-O 2.72Å; I1629-C1636 PolarHBondContact O-N 2.86Å; I1629-Y1663 HydrophobicContact CB-CE1 4.4Å; I1629-Y1663 HydrophobicContact CD1-CD1 3.66Å; I1629-Y1663 HydrophobicContact CD1-CD2 4.07Å; I1629-Y1663 HydrophobicContact CD1-CE1 3.5Å; I1629-Y1663 HydrophobicContact CD1-CE2 3.91Å; I1629-Y1663 HydrophobicContact CD1-CG 3.95Å; I1629-Y1663 HydrophobicContact CG1-CD1 3.75Å; I1629-Y1663 HydrophobicContact CG1-CE1 3.57Å; I1629-Y1663 HydrophobicContact CG1-CG 4.48Å; I1629-Y1663 HydrophobicContact CG2-CE1 4.07Å; I1629-F1695 HydrophobicContact CD1-CE2 3.71Å; I1629-F1695 HydrophobicContact CD1-CZ 3.51Å; I1629-F1695 HydrophobicContact CG1-CZ 4.31Å |
| 1630 | D | 82.9 | Confident | 83.2 | Confident | 129 Ų | 129 | 72.2 Ų | 72.2 | 69% | 0.69 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 119.7 | 167.3 | -79.1 | -44.8 | 0 | 0 | 0 | 108.7 | K1635 | D1630-K1635 WeakPolarHBondContact OD1-CG 2.98Å |
| 1631 | S | 76.4 | Confident | 84.1 | Confident | 38 Ų | 38 | 72 Ų | 72 | 27% | 0.266 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 121.1 | 176.3 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | G1633 R1634 | S1631-G1633 VanDerWaalsContact C-N 3.29Å; S1631-G1633 PolarHBondContact O-N 2.95Å; S1631-R1634 PolarHBondContact N-O 2.93Å; S1631-R1634 PolarHBondContact O-N 3.41Å |
| 1632 | R | 76.6 | Confident | 84.7 | Confident | 245 Ų | 245 | 69.5 Ų | 69.5 | 93% | 0.925 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 42.3 | -179 | -57.4 | -177.8 | 178.9 | 178.4 | -0.4 | 114 | R1634 | R1632-R1634 PolarHBondContact O-N 3.06Š|
| 1633 | G | 72.1 | Confident | 85 | Confident | 79 Ų | 79 | 70.1 Ų | 70.1 | 81% | 0.814 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.2 | 7.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1631 | S1631-G1633 VanDerWaalsContact C-N 3.29Å; S1631-G1633 PolarHBondContact O-N 2.95Å |
| 1634 | R | 79.4 | Confident | 85.2 | Confident | 147 Ų | 147 | 69.3 Ų | 69.3 | 56% | 0.555 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 145.3 | 172.5 | -57.7 | -176.1 | -163 | 165.4 | 4.9 | 110.1 | S1631 R1632 C1636 C1665 | S1631-R1634 PolarHBondContact N-O 2.93Å; S1631-R1634 PolarHBondContact O-N 3.41Å; R1632-R1634 PolarHBondContact O-N 3.06Å; R1634-C1636 PolarHBondContact O-N 2.86Å; R1634-C1665 HydrophobicContact CB-CB 4.27Å |
| 1635 | K | 83.1 | Confident | 85.1 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 116.8 | 170 | -75.4 | -173.9 | 178.5 | -179.8 | 0 | 109 | D1630 L1666 Y1673 | D1630-K1635 WeakPolarHBondContact OD1-CG 2.98Å; K1635-L1666 PolarHBondContact O-N 2.91Å; K1635-Y1673 HydrophobicContact CB-CE2 4.18Å; K1635-Y1673 HydrophobicContact CD-CE2 4.13Å; K1635-Y1673 HydrophobicContact CG-CE2 4.2Å |
| 1636 | C | 89.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134 | 176.5 | -45.6 | 0 | 0 | 0 | 0 | 109.8 | V1628 I1629 R1634 Y1663 T1664 C1665 F1695 | V1628-C1636 CarbonylContact C-O 3.5Å; V1628-C1636 WeakPolarHBondContact CA-O 3.46Å; I1629-C1636 HydrophobicContact CG1-CB 4.06Å; I1629-C1636 PolarHBondContact N-O 2.72Å; I1629-C1636 PolarHBondContact O-N 2.86Å; R1634-C1636 PolarHBondContact O-N 2.86Å; C1636-Y1663 HydrophobicContact CB-CD1 4.33Å; C1636-T1664 CarbonylContact C-O 3.49Å; C1636-T1664 WeakPolarHBondContact CA-O 3.19Å; C1636-C1665 HydrophobicContact CB-CB 4.05Å; C1636-C1665 WeakPolarHBondContact CB-SG 3.17Å; C1636-C1665 WeakPolarHBondContact SG-CB 3.43Å; C1636-C1665 CovalentContact SG-SG 2.04Å; C1636-C1665 PolarHBondContact SG-SG 2.92Å; C1636-F1695 HydrophobicContact CB-CE1 4.08Å; C1636-F1695 HydrophobicContact CB-CZ 4.16Å |
| 1637 | I | 89.9 | Confident | 83.7 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 139.4 | -176.3 | -174.4 | 162.9 | 0 | 0 | 0 | 109.3 | N1626 K1627 V1628 M1639 Y1663 T1664 I1676 M1686 L1688 | N1626-I1637 HydrophobicContact CB-CD1 3.88Å; N1626-I1637 HydrophobicContact CB-CG1 3.79Å; K1627-I1637 CarbonylContact O-C 3.53Å; K1627-I1637 WeakPolarHBondContact O-CA 3.19Å; V1628-I1637 HydrophobicContact CG2-CB 4.36Å; V1628-I1637 HydrophobicContact CG2-CD1 4.07Å; V1628-I1637 HydrophobicContact CG2-CG1 4.05Å; I1637-M1639 PolarHBondContact O-N 3.24Å; I1637-Y1663 VanDerWaalsContact C-CD1 3.45Å; I1637-Y1663 WeakPolarHBondContact O-CA 3.48Å; I1637-T1664 HydrophobicContact CG2-CG2 3.59Å; I1637-T1664 PolarHBondContact N-O 2.89Å; I1637-T1664 PolarHBondContact O-N 2.86Å; I1637-I1676 HydrophobicContact CB-CD1 4.31Å; I1637-I1676 HydrophobicContact CD1-CD1 4.06Å; I1637-I1676 HydrophobicContact CD1-CG1 4.25Å; I1637-M1686 HydrophobicContact CD1-CE 4.48Å; I1637-L1688 HydrophobicContact CB-CD1 4.25Å; I1637-L1688 HydrophobicContact CD1-CD1 3.91Å; I1637-L1688 HydrophobicContact CG1-CD1 3.95Å; I1637-L1688 HydrophobicContact CG2-CD1 3.32Å |
| 1638 | S | 91.7 | Very high | 82.7 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 131 | 176.8 | 68 | 0 | 0 | 0 | 0 | 109.2 | N1626 K1627 R1640 P1662 | N1626-S1638 WeakPolarHBondContact CA-OG 3.42Å; N1626-S1638 PolarHBondContact ND2-O 3.46Å; K1627-S1638 PolarHBondContact N-OG 3.15Å; K1627-S1638 PolarHBondContact O-N 3.42Å; S1638-R1640 WeakPolarHBondContact CB-O 3.28Å; S1638-R1640 PolarHBondContact O-N 3.23Å; S1638-R1640 PolarHBondContact OG-O 3.38Å; S1638-P1662 WeakPolarHBondContact CA-O 3.31Å |
| 1639 | M | 90.1 | Very high | 82 | Confident | 18 Ų | 18 | 62 Ų | 62 | 9% | 0.089 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -63.5 | -27.5 | -176 | -66.7 | -179.8 | 66.7 | 0 | 0 | 111.8 | I1637 P1662 T1664 L1688 S1691 M1693 | I1637-M1639 PolarHBondContact O-N 3.24Å; M1639-P1662 HydrophobicContact CB-CG 4.23Å; M1639-P1662 HydrophobicContact CG-CB 4.36Å; M1639-P1662 PolarHBondContact N-O 2.73Å; M1639-P1662 HydrophobicContact SD-CB 3.88Å; M1639-P1662 HydrophobicContact SD-CG 4.39Å; M1639-T1664 HydrophobicContact CG-CG2 4.33Å; M1639-L1688 WeakPolarHBondContact CE-O 3.39Å; M1639-L1688 CarbonylContact O-C 3.57Å; M1639-L1688 WeakPolarHBondContact O-CA 3.28Å; M1639-L1688 PolarHBondContact O-N 3.18Å; M1639-S1691 WeakPolarHBondContact CE-O 3.19Å; M1639-M1693 HydrophobicContact SD-CB 3.72Å; M1639-M1693 HydrophobicContact SD-CG 3.95Å |
| 1640 | R | 88.1 | Confident | 81.6 | Confident | 163 Ų | 163 | 67.7 Ų | 67.7 | 62% | 0.615 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -122.5 | 152.4 | 171.2 | -69.5 | -177 | 176.3 | 169.6 | 1.8 | 111.1 | S1638 | S1638-R1640 WeakPolarHBondContact CB-O 3.28Å; S1638-R1640 PolarHBondContact O-N 3.23Å; S1638-R1640 PolarHBondContact OG-O 3.38Å |
| 1641 | P | 88.2 | Confident | 81.5 | Confident | 37 Ų | 37 | 64.1 Ų | 64.1 | 24% | 0.24 | 32% | 0.316 | C | S | . | . | trans | -61.1 | 136.5 | 170.7 | -20.3 | 32.5 | 0 | 0 | 0 | 111.1 | R1624 P1685 M1686 | R1624-P1641 HydrophobicContact CB-CB 3.93Å; P1641-P1685 HydrophobicContact CB-CB 4.16Å; P1641-P1685 HydrophobicContact CG-CB 3.75Å; P1641-M1686 WeakPolarHBondContact CD-O 3.4Å | ||
| 1642 | I | 90 | Very high | 81.3 | Confident | 26 Ų | 26 | 63 Ų | 63 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 159.9 | 176.8 | 65.6 | 169.8 | 0 | 0 | 0 | 110.9 | R1624 R1625 K1627 V1661 V1701 | R1624-I1642 WeakPolarHBondContact CA-O 3.06Å; R1625-I1642 PolarHBondContact N-O 2.84Å; R1625-I1642 PolarHBondContact O-N 3.09Å; K1627-I1642 HydrophobicContact CB-CD1 3.58Å; K1627-I1642 HydrophobicContact CB-CG1 4.02Å; K1627-I1642 HydrophobicContact CD-CD1 3.51Å; K1627-I1642 HydrophobicContact CG-CD1 4.18Å; I1642-V1661 HydrophobicContact CG2-CG1 3.85Å; I1642-V1661 HydrophobicContact CG2-CG2 3.84Å; I1642-V1701 HydrophobicContact CB-CG1 4.33Å; I1642-V1701 HydrophobicContact CD1-CG1 4.48Å |
| 1643 | E | 88.5 | Confident | 80.9 | Confident | 55 Ų | 55 | 63.7 Ų | 63.7 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 134.5 | 180 | -72.7 | 155.5 | 166.7 | 0 | 0 | 111.2 | P1622 K1659 V1701 P1702 | P1622-E1643 HydrophobicContact CB-CB 4.05Å; P1622-E1643 HydrophobicContact CB-CG 4.25Å; E1643-K1659 IonicContact OE1-NZ 3.8Å; E1643-K1659 IonicContact OE2-NZ 3.91Å; E1643-K1659 PolarHBondContact OE2-NZ 2.62Å; E1643-V1701 HydrophobicContact CB-CB 4.29Å; E1643-P1702 WeakPolarHBondContact O-CD 3.31Å |
| 1644 | S | 87.1 | Confident | 81 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 152.3 | 179 | 60.5 | 0 | 0 | 0 | 0 | 110.1 | P1622 V1623 | P1622-S1644 CarbonylContact C-O 3.48Å; P1622-S1644 WeakPolarHBondContact CA-O 3.33Å; V1623-S1644 VanDerWaalsContact CG2-O 3.27Å; V1623-S1644 WeakPolarHBondContact CG2-O 3.5Å; V1623-S1644 PolarHBondContact N-O 3.43Å; V1623-S1644 PolarHBondContact O-N 3.02Å; V1623-S1644 PolarHBondContact O-OG 3.09Å |
| 1645 | C | 83.2 | Confident | 81 | Confident | 25 Ų | 25 | 59.8 Ų | 59.8 | 17% | 0.169 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 145.7 | 175.2 | -62.5 | 0 | 0 | 0 | 0 | 111.4 | G1649 C1705 | C1645-G1649 WeakPolarHBondContact CB-O 2.91Å; C1645-C1705 WeakPolarHBondContact CA-SG 3.08Å; C1645-C1705 HydrophobicContact CB-CB 3.7Å; C1645-C1705 WeakPolarHBondContact CB-SG 3.12Å; C1645-C1705 WeakPolarHBondContact SG-CB 3.19Å; C1645-C1705 CovalentContact SG-SG 2.04Å; C1645-C1705 PolarHBondContact SG-SG 2.77Å |
| 1646 | P | 75.7 | Confident | 80.9 | Confident | 31 Ų | 31 | 63.7 Ų | 63.7 | 20% | 0.201 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 164.8 | 175.8 | 24.7 | -31.5 | 0 | 0 | 0 | 111.9 | T1620 V1623 H1648 G1649 | T1620-P1646 HydrophobicContact CG2-CG 4.4Å; V1623-P1646 HydrophobicContact CG1-CB 4.41Å; V1623-P1646 HydrophobicContact CG2-CB 4.4Å; P1646-H1648 PolarHBondContact O-N 2.94Å; P1646-G1649 WeakPolarHBondContact O-CA 3.41Å; P1646-G1649 PolarHBondContact O-N 3.43Å |
| 1647 | E | 65.4 | Low | 80.8 | Confident | 63 Ų | 63 | 66.8 Ų | 66.8 | 29% | 0.294 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 132.1 | 172.6 | -104.7 | 92.9 | -144 | 0 | 0 | 110.7 | E1243 R1625 G1649 | E1243-E1647 VanDerWaalsContact CD-CG 3.43Å; E1243-E1647 HydrophobicContact CG-CG 3.81Å; E1243-E1647 WeakPolarHBondContact CG-OE1 3.11Å; E1243-E1647 VanDerWaalsContact OE1-CD 3.26Å; E1243-E1647 WeakPolarHBondContact OE2-CG 3.32Å; R1625-E1647 IonicContact CZ-OE2 3.58Å; R1625-E1647 IonicContact NH1-OE1 3.52Å; R1625-E1647 IonicContact NH1-OE2 2.62Å; R1625-E1647 IonicContact NH2-OE2 3.45Å; R1625-E1647 PolarHBondContact NH2-OE2 3.01Å; R1625-E1647 VanDerWaalsContact NH2-OE2 3.14Å; E1647-G1649 VanDerWaalsContact C-N 3.26Å; E1647-G1649 PolarHBondContact O-N 3.18Å |
| 1648 | H | 66.4 | Low | 80.6 | Confident | 121 Ų | 121 | 72.6 Ų | 72.6 | 56% | 0.56 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 6.6 | -173.4 | -45.2 | -76.7 | 0 | 0 | 0 | 116.1 | P1646 S1707 | P1646-H1648 PolarHBondContact O-N 2.94Å; H1648-S1707 WeakPolarHBondContact O-CA 3.34Å; H1648-S1707 WeakPolarHBondContact O-CB 3.46Å |
| 1649 | G | 71.6 | Confident | 80.3 | Confident | 15 Ų | 15 | 76.1 Ų | 76.1 | 16% | 0.155 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 141 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | C1645 P1646 E1647 I1706 | C1645-G1649 WeakPolarHBondContact CB-O 2.91Å; P1646-G1649 WeakPolarHBondContact O-CA 3.41Å; P1646-G1649 PolarHBondContact O-N 3.43Å; E1647-G1649 VanDerWaalsContact C-N 3.26Å; E1647-G1649 PolarHBondContact O-N 3.18Å; G1649-I1706 CarbonylContact C-O 3.5Å; G1649-I1706 WeakPolarHBondContact CA-O 3.04Å |
| 1650 | Y | 79.2 | Confident | 80.2 | Confident | 137 Ų | 137 | 82 Ų | 82 | 54% | 0.537 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 149.8 | 177.3 | -47 | -85.1 | 0 | 0 | 0 | 110.2 | A1652 C1705 I1706 I1708 | Y1650-A1652 PolarHBondContact O-N 2.88Å; Y1650-C1705 CarbonylContact O-C 3.54Å; Y1650-C1705 VanDerWaalsContact O-CA 3.29Å; Y1650-C1705 WeakPolarHBondContact O-CA 3.29Å; Y1650-I1706 PolarHBondContact N-O 2.83Å; Y1650-I1706 PolarHBondContact O-N 2.96Å; Y1650-I1708 HydrophobicContact CE2-CD1 4.1Å; Y1650-I1708 HydrophobicContact CE2-CG1 4.26Å |
| 1651 | T | 80.6 | Confident | 80.3 | Confident | 54 Ų | 54 | 74.6 Ų | 74.6 | 33% | 0.331 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 129.4 | 174.9 | -48.7 | 0 | 0 | 0 | 0 | 110.5 | E1655 K1656 P1702 | T1651-E1655 VanDerWaalsContact CG2-O 3.29Å; T1651-E1655 WeakPolarHBondContact CG2-O 3.47Å; T1651-K1656 HydrophobicContact CG2-CG 3.74Å; T1651-P1702 HydrophobicContact CG2-CB 3.6Å |
| 1652 | A | 71.7 | Confident | 80.5 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 11% | 0.107 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 143.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y1650 G1654 E1655 K1704 I1706 | Y1650-A1652 PolarHBondContact O-N 2.88Å; A1652-G1654 PolarHBondContact O-N 3.44Å; A1652-E1655 HydrophobicContact CB-CB 4.03Å; A1652-E1655 HydrophobicContact CB-CG 3.94Å; A1652-E1655 PolarHBondContact O-N 3.49Å; A1652-K1704 HydrophobicContact CB-CB 4.17Å; A1652-K1704 HydrophobicContact CB-CG 4.43Å; A1652-K1704 PolarHBondContact N-O 3.32Å; A1652-I1706 HydrophobicContact CB-CD1 3.81Å; A1652-I1706 HydrophobicContact CB-CG1 3.78Å |
| 1653 | R | 67.8 | Low | 80.7 | Confident | 261 Ų | 261 | 73.6 Ų | 73.6 | 99% | 0.985 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 118 | -176.6 | -151.4 | 179.7 | -171.7 | -172.8 | 2.5 | 109 | ||
| 1654 | G | 74.1 | Confident | 80.8 | Confident | 75 Ų | 75 | 71.5 Ų | 71.5 | 77% | 0.773 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | -6.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | A1652 K1656 | A1652-G1654 PolarHBondContact O-N 3.44Å; G1654-K1656 PolarHBondContact O-N 2.91Å |
| 1655 | E | 80.2 | Confident | 80.9 | Confident | 68 Ų | 68 | 71 Ų | 71 | 32% | 0.318 | 36% | 0.355 | S | S | . | . | trans | -104.1 | 57.6 | -174.6 | -68.1 | -72.1 | 177.1 | 0 | 0 | 111.9 | T1651 A1652 P1702 R1703 K1704 | T1651-E1655 VanDerWaalsContact CG2-O 3.29Å; T1651-E1655 WeakPolarHBondContact CG2-O 3.47Å; A1652-E1655 HydrophobicContact CB-CB 4.03Å; A1652-E1655 HydrophobicContact CB-CG 3.94Å; A1652-E1655 PolarHBondContact O-N 3.49Å; E1655-P1702 WeakPolarHBondContact O-CA 3.3Å; E1655-R1703 HydrophobicContact CB-CB 4.03Å; E1655-R1703 PolarHBondContact O-N 2.81Å; E1655-R1703 WeakPolarHBondContact OE2-CB 3.4Å; E1655-K1704 HydrophobicContact CB-CB 3.74Å; E1655-K1704 HydrophobicContact CG-CB 3.73Å; E1655-K1704 HydrophobicContact CG-CD 4.31Å | ||
| 1656 | K | 79.7 | Confident | 80.8 | Confident | 138 Ų | 138 | 70.1 Ų | 70.1 | 60% | 0.6 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 142.6 | 179 | -69 | 177.9 | -178.3 | -178.1 | 0 | 110.5 | T1651 G1654 T1700 V1701 | T1651-K1656 HydrophobicContact CG2-CG 3.74Å; G1654-K1656 PolarHBondContact O-N 2.91Å; K1656-T1700 HydrophobicContact CB-CG2 3.82Å; K1656-T1700 HydrophobicContact CD-CG2 4.01Å; K1656-T1700 HydrophobicContact CG-CG2 4.12Å; K1656-V1701 WeakPolarHBondContact CA-O 3.45Å |
| 1657 | E | 87.3 | Confident | 80.9 | Confident | 65 Ų | 65 | 75.3 Ų | 75.3 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 142.2 | 177 | -174 | 178 | 131.4 | 0 | 0 | 110 | K1659 T1700 V1701 R1703 | E1657-K1659 WeakPolarHBondContact OE1-CE 3.4Å; E1657-T1700 CarbonylContact O-C 3.58Å; E1657-T1700 WeakPolarHBondContact O-CA 3.38Å; E1657-V1701 HydrophobicContact CB-CG2 4.13Å; E1657-V1701 PolarHBondContact N-O 2.91Å; E1657-V1701 WeakPolarHBondContact O-CG2 3.13Å; E1657-V1701 PolarHBondContact O-N 2.88Å; E1657-R1703 HydrophobicContact CB-CG 4.4Å; E1657-R1703 IonicContact OE2-CZ 3.39Å; E1657-R1703 IonicContact OE2-NE 3.67Å; E1657-R1703 PolarHBondContact OE2-NE 3.45Å; E1657-R1703 IonicContact OE2-NH2 2.99Å; E1657-R1703 PolarHBondContact OE2-NH2 3.42Å |
| 1658 | E | 85.1 | Confident | 81 | Confident | 127 Ų | 127 | 76 Ų | 76 | 59% | 0.593 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 126.4 | 172.1 | -72.7 | -161.2 | 158.2 | 0 | 0 | 110.8 | K1698 | E1658-K1698 IonicContact OE2-NZ 3.92Å |
| 1659 | K | 85.4 | Confident | 81.1 | Confident | 74 Ų | 74 | 76.9 Ų | 76.9 | 32% | 0.322 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140.6 | 173.3 | -69.1 | -175.9 | -175.6 | 167 | 0 | 110.6 | E1643 E1657 E1699 V1701 | E1643-K1659 IonicContact OE1-NZ 3.8Å; E1643-K1659 IonicContact OE2-NZ 3.91Å; E1643-K1659 PolarHBondContact OE2-NZ 2.62Å; E1657-K1659 WeakPolarHBondContact OE1-CE 3.4Å; K1659-E1699 PolarHBondContact N-O 3.45Å; K1659-E1699 PolarHBondContact O-N 3.3Å; K1659-V1701 HydrophobicContact CB-CG2 4.47Å; K1659-V1701 HydrophobicContact CD-CG2 3.7Å; K1659-V1701 HydrophobicContact CG-CG2 3.87Å |
| 1660 | E | 89.3 | Confident | 81 | Confident | 143 Ų | 143 | 79.3 Ų | 79.3 | 67% | 0.668 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 121.3 | 168.8 | -71.9 | -165.4 | 158.4 | 0 | 0 | 110.2 | T1696 K1698 | E1660-T1696 HydrophobicContact CB-CG2 3.98Å; E1660-K1698 HydrophobicContact CG-CG 4.21Å |
| 1661 | V | 90.6 | Very high | 80.6 | Confident | 7 Ų | 7 | 79.3 Ų | 79.3 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 118.4 | -174.3 | -179 | 0 | 0 | 0 | 0 | 109.7 | I1642 Y1663 R1697 E1699 | I1642-V1661 HydrophobicContact CG2-CG1 3.85Å; I1642-V1661 HydrophobicContact CG2-CG2 3.84Å; V1661-Y1663 HydrophobicContact CB-CE2 4.05Å; V1661-Y1663 HydrophobicContact CG1-CD2 4.29Å; V1661-Y1663 HydrophobicContact CG1-CE2 3.81Å; V1661-Y1663 VanDerWaalsContact O-CD2 3.3Å; V1661-Y1663 WeakPolarHBondContact O-CD2 3.27Å; V1661-R1697 PolarHBondContact N-O 3.16Å; V1661-R1697 PolarHBondContact O-N 2.79Å; V1661-E1699 HydrophobicContact CB-CB 4.38Å; V1661-E1699 HydrophobicContact CB-CG 3.82Å; V1661-E1699 HydrophobicContact CG2-CB 3.69Å; V1661-E1699 HydrophobicContact CG2-CG 3.68Å |
| 1662 | P | 92.7 | Very high | 80.2 | Confident | 42 Ų | 42 | 78.5 Ų | 78.5 | 27% | 0.273 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 139 | 173.8 | 29.5 | -32.1 | 0 | 0 | 0 | 111.1 | S1638 M1639 M1693 | S1638-P1662 WeakPolarHBondContact CA-O 3.31Å; M1639-P1662 HydrophobicContact CB-CG 4.23Å; M1639-P1662 HydrophobicContact CG-CB 4.36Å; M1639-P1662 PolarHBondContact N-O 2.73Å; M1639-P1662 HydrophobicContact SD-CB 3.88Å; M1639-P1662 HydrophobicContact SD-CG 4.39Å; P1662-M1693 HydrophobicContact CB-CG 4.2Å; P1662-M1693 HydrophobicContact CB-SD 3.84Å |
| 1663 | Y | 93.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 143.5 | -179 | -78.5 | -92.1 | 0 | 0 | 0 | 111.2 | K1627 I1629 C1636 I1637 V1661 S1694 F1695 R1697 E1699 | K1627-Y1663 HydrophobicContact CB-CE1 4.42Å; K1627-Y1663 VanDerWaalsContact CD-OH 3.29Å; K1627-Y1663 WeakPolarHBondContact CD-OH 3.28Å; K1627-Y1663 HydrophobicContact CG-CE1 4.49Å; K1627-Y1663 VanDerWaalsContact CG-OH 3.31Å; K1627-Y1663 WeakPolarHBondContact CG-OH 3.34Å; K1627-Y1663 WeakPolarHBondContact O-CE1 3.4Å; I1629-Y1663 HydrophobicContact CB-CE1 4.4Å; I1629-Y1663 HydrophobicContact CD1-CD1 3.66Å; I1629-Y1663 HydrophobicContact CD1-CD2 4.07Å; I1629-Y1663 HydrophobicContact CD1-CE1 3.5Å; I1629-Y1663 HydrophobicContact CD1-CE2 3.91Å; I1629-Y1663 HydrophobicContact CD1-CG 3.95Å; I1629-Y1663 HydrophobicContact CG1-CD1 3.75Å; I1629-Y1663 HydrophobicContact CG1-CE1 3.57Å; I1629-Y1663 HydrophobicContact CG1-CG 4.48Å; I1629-Y1663 HydrophobicContact CG2-CE1 4.07Å; C1636-Y1663 HydrophobicContact CB-CD1 4.33Å; I1637-Y1663 VanDerWaalsContact C-CD1 3.45Å; I1637-Y1663 WeakPolarHBondContact O-CA 3.48Å; V1661-Y1663 HydrophobicContact CB-CE2 4.05Å; V1661-Y1663 HydrophobicContact CG1-CD2 4.29Å; V1661-Y1663 HydrophobicContact CG1-CE2 3.81Å; V1661-Y1663 VanDerWaalsContact O-CD2 3.3Å; V1661-Y1663 WeakPolarHBondContact O-CD2 3.27Å; Y1663-S1694 WeakPolarHBondContact O-CB 3.49Å; Y1663-S1694 PolarHBondContact O-N 2.95Å; Y1663-F1695 HydrophobicContact CD2-CD2 4.42Å; Y1663-F1695 AromaticContact CD2-CE2 3.89Å; Y1663-F1695 HydrophobicContact CD2-CE2 3.89Å; Y1663-F1695 HydrophobicContact CG-CE2 4.01Å; Y1663-F1695 HydrophobicContact CG-CZ 4.2Å; Y1663-F1695 PolarHBondContact N-O 3.16Å; Y1663-F1695 PolarHBondContact O-N 2.98Å; Y1663-R1697 HydrophobicContact CD2-CB 4.21Å; Y1663-R1697 HydrophobicContact CE2-CB 4.01Å; Y1663-E1699 HydrophobicContact CE2-CG 4.29Å; Y1663-E1699 PolarHBondContact OH-OE1 3.42Å |
| 1664 | T | 90.7 | Very high | 80.5 | Confident | 10 Ų | 10 | 75.9 Ų | 75.9 | 6% | 0.061 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132 | 169 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | C1636 I1637 M1639 L1688 E1692 | C1636-T1664 CarbonylContact C-O 3.49Å; C1636-T1664 WeakPolarHBondContact CA-O 3.19Å; I1637-T1664 HydrophobicContact CG2-CG2 3.59Å; I1637-T1664 PolarHBondContact N-O 2.89Å; I1637-T1664 PolarHBondContact O-N 2.86Å; M1639-T1664 HydrophobicContact CG-CG2 4.33Å; T1664-L1688 HydrophobicContact CG2-CD1 4.26Å; T1664-E1692 VanDerWaalsContact CB-O 3.28Å; T1664-E1692 WeakPolarHBondContact CB-O 3.03Å; T1664-E1692 PolarHBondContact OG1-O 3.46Å |
| 1665 | C | 89.6 | Confident | 80.3 | Confident | 23 Ų | 23 | 76.9 Ų | 76.9 | 16% | 0.155 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118.6 | -177 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | R1634 C1636 S1694 F1695 | R1634-C1665 HydrophobicContact CB-CB 4.27Å; C1636-C1665 HydrophobicContact CB-CB 4.05Å; C1636-C1665 WeakPolarHBondContact CB-SG 3.17Å; C1636-C1665 WeakPolarHBondContact SG-CB 3.43Å; C1636-C1665 CovalentContact SG-SG 2.04Å; C1636-C1665 PolarHBondContact SG-SG 2.92Å; C1665-S1694 WeakPolarHBondContact CB-OG 3.03Å; C1665-S1694 PolarHBondContact N-OG 2.96Å; C1665-S1694 WeakPolarHBondContact SG-CB 3.29Å; C1665-F1695 VanDerWaalsContact SG-CE1 3.53Å |
| 1666 | L | 80.8 | Confident | 79.9 | Confident | 6 Ų | 6 | 73.7 Ų | 73.7 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 141.5 | -178.7 | -59.1 | -178.5 | 0 | 0 | 0 | 111.6 | K1635 D1670 L1672 Y1673 I1676 | K1635-L1666 PolarHBondContact O-N 2.91Å; L1666-D1670 HydrophobicContact CB-CB 4.37Å; L1666-L1672 HydrophobicContact CD1-CB 3.96Å; L1666-L1672 HydrophobicContact CD1-CD2 4.17Å; L1666-L1672 HydrophobicContact CD2-CB 3.92Å; L1666-L1672 HydrophobicContact CD2-CD2 3.84Å; L1666-Y1673 HydrophobicContact CB-CD2 4.03Å; L1666-I1676 HydrophobicContact CD1-CD1 3.29Å; L1666-I1676 HydrophobicContact CD1-CG1 4.03Å; L1666-I1676 HydrophobicContact CG-CD1 4.43Å |
| 1667 | K | 77.4 | Confident | 79.3 | Confident | 140 Ų | 140 | 68.3 Ų | 68.3 | 61% | 0.609 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 153.9 | 168.1 | -61 | 177.7 | -178.4 | 170.9 | 0 | 109.5 | N1669 D1670 | K1667-N1669 VanDerWaalsContact CB-OD1 3.23Å; K1667-N1669 WeakPolarHBondContact CB-OD1 3.29Å; K1667-N1669 PolarHBondContact O-N 2.74Å; K1667-N1669 VanDerWaalsContact O-N 3.09Å; K1667-D1670 WeakPolarHBondContact O-CB 3.43Å; K1667-D1670 PolarHBondContact O-N 2.04Å |
| 1668 | A | 67.6 | Low | 78.3 | Confident | 76 Ų | 76 | 73.7 Ų | 73.7 | 63% | 0.628 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -21.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1669 | N | 69.6 | Low | 77.2 | Confident | 140 Ų | 140 | 69.1 Ų | 69.1 | 75% | 0.749 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 5.8 | 178.9 | 47 | -17.6 | 0 | 0 | 0 | 113.7 | K1667 | K1667-N1669 VanDerWaalsContact CB-OD1 3.23Å; K1667-N1669 WeakPolarHBondContact CB-OD1 3.29Å; K1667-N1669 PolarHBondContact O-N 2.74Å; K1667-N1669 VanDerWaalsContact O-N 3.09Å |
| 1670 | D | 68.7 | Low | 76.2 | Confident | 66 Ų | 66 | 71.4 Ų | 71.4 | 35% | 0.353 | 36% | 0.355 | S | S | . | . | trans | -76.1 | 130.9 | 178.1 | -156.8 | -34.3 | 0 | 0 | 0 | 110.4 | L1666 K1667 L1672 Y1673 | L1666-D1670 HydrophobicContact CB-CB 4.37Å; K1667-D1670 WeakPolarHBondContact O-CB 3.43Å; K1667-D1670 PolarHBondContact O-N 2.04Å; D1670-L1672 PolarHBondContact O-N 2.8Å; D1670-L1672 VanDerWaalsContact O-N 3.09Å; D1670-L1672 PolarHBondContact OD1-N 2.9Å; D1670-Y1673 WeakPolarHBondContact O-CA 3.3Å; D1670-Y1673 WeakPolarHBondContact O-CB 3.2Å; D1670-Y1673 PolarHBondContact O-N 3.5Å | ||
| 1671 | E | 70.4 | Confident | 74.7 | Confident | 137 Ų | 137 | 74.6 Ų | 74.6 | 64% | 0.64 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -58.5 | -29 | -177.7 | -155.2 | -163 | 150.1 | 0 | 0 | 111.4 | Y1673 K1675 | E1671-Y1673 VanDerWaalsContact C-N 3.28Å; E1671-Y1673 PolarHBondContact O-N 2.9Å; E1671-K1675 WeakPolarHBondContact OE1-CE 3.37Å; E1671-K1675 IonicContact OE1-NZ 2.61Å; E1671-K1675 PolarHBondContact OE1-NZ 2.83Å |
| 1672 | L | 72.5 | Confident | 73.4 | Confident | 37 Ų | 37 | 80.9 Ų | 80.9 | 19% | 0.194 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.2 | -28.7 | 175.1 | -137.8 | 89.7 | 0 | 0 | 0 | 112.5 | L1666 D1670 H1674 K1675 I1676 M1679 M1686 L1688 | L1666-L1672 HydrophobicContact CD1-CB 3.96Å; L1666-L1672 HydrophobicContact CD1-CD2 4.17Å; L1666-L1672 HydrophobicContact CD2-CB 3.92Å; L1666-L1672 HydrophobicContact CD2-CD2 3.84Å; D1670-L1672 PolarHBondContact O-N 2.8Å; D1670-L1672 VanDerWaalsContact O-N 3.09Å; D1670-L1672 PolarHBondContact OD1-N 2.9Å; L1672-H1674 VanDerWaalsContact C-N 3.34Å; L1672-H1674 PolarHBondContact O-N 3.46Å; L1672-K1675 PolarHBondContact O-N 2.82Å; L1672-K1675 VanDerWaalsContact O-N 3.16Å; L1672-I1676 WeakPolarHBondContact O-CG1 3.42Å; L1672-I1676 PolarHBondContact O-N 3.47Å; L1672-M1679 HydrophobicContact CG-CE 4.17Å; L1672-M1686 HydrophobicContact CD2-CE 4.32Å; L1672-L1688 HydrophobicContact CD1-CD2 4.49Å; L1672-L1688 HydrophobicContact CD2-CD1 4Å; L1672-L1688 HydrophobicContact CD2-CD2 3.84Å |
| 1673 | Y | 76.2 | Confident | 71.9 | Confident | 69 Ų | 69 | 80.9 Ų | 80.9 | 27% | 0.271 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | -177.2 | -168.5 | -88.7 | 0 | 0 | 0 | 111.8 | K1635 L1666 D1670 E1671 | K1635-Y1673 HydrophobicContact CB-CE2 4.18Å; K1635-Y1673 HydrophobicContact CD-CE2 4.13Å; K1635-Y1673 HydrophobicContact CG-CE2 4.2Å; L1666-Y1673 HydrophobicContact CB-CD2 4.03Å; D1670-Y1673 WeakPolarHBondContact O-CA 3.3Å; D1670-Y1673 WeakPolarHBondContact O-CB 3.2Å; D1670-Y1673 PolarHBondContact O-N 3.5Å; E1671-Y1673 VanDerWaalsContact C-N 3.28Å; E1671-Y1673 PolarHBondContact O-N 2.9Å |
| 1674 | H | 69.1 | Low | 70.7 | Confident | 151 Ų | 151 | 84.7 Ų | 84.7 | 70% | 0.699 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -80.2 | -25.9 | 176.9 | -69.4 | -60.4 | 0 | 0 | 0 | 113.3 | L1672 | L1672-H1674 VanDerWaalsContact C-N 3.34Å; L1672-H1674 PolarHBondContact O-N 3.46Å |
| 1675 | K | 70.6 | Confident | 69.9 | Low | 95 Ų | 95 | 87.6 Ų | 87.6 | 41% | 0.413 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -76.2 | -29.7 | 176.5 | -72.3 | 177.4 | -174.4 | 164.2 | 0 | 112.3 | E1671 L1672 G1677 R1678 M1679 | E1671-K1675 WeakPolarHBondContact OE1-CE 3.37Å; E1671-K1675 IonicContact OE1-NZ 2.61Å; E1671-K1675 PolarHBondContact OE1-NZ 2.83Å; L1672-K1675 PolarHBondContact O-N 2.82Å; L1672-K1675 VanDerWaalsContact O-N 3.16Å; K1675-G1677 PolarHBondContact O-N 2.81Å; K1675-G1677 VanDerWaalsContact O-N 3.08Å; K1675-R1678 WeakPolarHBondContact O-CA 3.31Å; K1675-R1678 PolarHBondContact O-N 2.97Å; K1675-M1679 VanDerWaalsContact C-CE 3.42Å; K1675-M1679 HydrophobicContact CB-CE 3.6Å; K1675-M1679 HydrophobicContact CB-CG 4.39Å; K1675-M1679 HydrophobicContact CB-SD 4.01Å; K1675-M1679 VanDerWaalsContact O-CG 3.29Å; K1675-M1679 WeakPolarHBondContact O-CG 3.45Å; K1675-M1679 PolarHBondContact O-N 3.25Å |
| 1676 | I | 71.7 | Confident | 69.2 | Low | 2 Ų | 2 | 88.9 Ų | 88.9 | 1% | 0.01 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -51.2 | -40.9 | -175.4 | -84.6 | -173.3 | 0 | 0 | 0 | 112.3 | V1628 I1637 L1666 L1672 R1678 M1679 Q1680 | V1628-I1676 HydrophobicContact CG1-CD1 4.41Å; V1628-I1676 HydrophobicContact CG1-CG2 4.4Å; V1628-I1676 HydrophobicContact CG2-CD1 4.36Å; V1628-I1676 HydrophobicContact CG2-CG2 4.23Å; I1637-I1676 HydrophobicContact CB-CD1 4.31Å; I1637-I1676 HydrophobicContact CD1-CD1 4.06Å; I1637-I1676 HydrophobicContact CD1-CG1 4.25Å; L1666-I1676 HydrophobicContact CD1-CD1 3.29Å; L1666-I1676 HydrophobicContact CD1-CG1 4.03Å; L1666-I1676 HydrophobicContact CG-CD1 4.43Å; L1672-I1676 WeakPolarHBondContact O-CG1 3.42Å; L1672-I1676 PolarHBondContact O-N 3.47Å; I1676-R1678 PolarHBondContact O-N 3.02Å; I1676-M1679 HydrophobicContact CB-CE 4.35Å; I1676-M1679 HydrophobicContact CG1-CE 3.84Å; I1676-M1679 PolarHBondContact O-N 2.97Å; I1676-Q1680 HydrophobicContact CG2-CG 4.48Å; I1676-Q1680 WeakPolarHBondContact O-CG 3.19Å; I1676-Q1680 PolarHBondContact O-N 3.17Å |
| 1677 | G | 67.6 | Low | 69.3 | Low | 25 Ų | 25 | 93.3 Ų | 93.3 | 26% | 0.258 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.9 | -19 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1675 R1681 | K1675-G1677 PolarHBondContact O-N 2.81Å; K1675-G1677 VanDerWaalsContact O-N 3.08Å; G1677-R1681 PolarHBondContact O-NE 2.72Å; G1677-R1681 PolarHBondContact O-NH2 3.22Å |
| 1678 | R | 65.1 | Low | 69.4 | Low | 177 Ų | 177 | 87.3 Ų | 87.3 | 67% | 0.668 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -84.1 | -38.1 | 166.9 | -79.3 | -172.9 | -169.7 | 178.2 | 5 | 110.7 | K1675 I1676 R1681 Q1682 | K1675-R1678 WeakPolarHBondContact O-CA 3.31Å; K1675-R1678 PolarHBondContact O-N 2.97Å; I1676-R1678 PolarHBondContact O-N 3.02Å; R1678-R1681 WeakPolarHBondContact O-CA 3.34Å; R1678-R1681 WeakPolarHBondContact O-CB 3.31Å; R1678-R1681 PolarHBondContact O-N 2.78Å; R1678-Q1682 WeakPolarHBondContact O-CG 3.35Å; R1678-Q1682 PolarHBondContact O-N 2.94Å |
| 1679 | M | 63.5 | Low | 70 | Confident | 32 Ų | 32 | 86 Ų | 86 | 16% | 0.158 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -67.4 | -38.6 | -177.9 | -65.3 | -175.8 | -61.3 | 0 | 0 | 112.1 | L1672 K1675 I1676 R1681 Q1682 G1683 M1686 | L1672-M1679 HydrophobicContact CG-CE 4.17Å; K1675-M1679 VanDerWaalsContact C-CE 3.42Å; K1675-M1679 HydrophobicContact CB-CE 3.6Å; K1675-M1679 HydrophobicContact CB-CG 4.39Å; K1675-M1679 HydrophobicContact CB-SD 4.01Å; K1675-M1679 VanDerWaalsContact O-CG 3.29Å; K1675-M1679 WeakPolarHBondContact O-CG 3.45Å; K1675-M1679 PolarHBondContact O-N 3.25Å; I1676-M1679 HydrophobicContact CB-CE 4.35Å; I1676-M1679 HydrophobicContact CG1-CE 3.84Å; I1676-M1679 PolarHBondContact O-N 2.97Å; M1679-R1681 PolarHBondContact O-N 2.81Å; M1679-Q1682 PolarHBondContact O-N 2.83Å; M1679-G1683 PolarHBondContact O-N 2.92Å; M1679-G1683 VanDerWaalsContact O-N 3.15Å; M1679-M1686 HydrophobicContact CE-CE 3.32Å; M1679-M1686 HydrophobicContact CE-SD 4.32Å; M1679-M1686 HydrophobicContact SD-CE 3.16Å; M1679-M1686 WeakPolarHBondContact SD-CE 3.23Å; M1679-M1686 HydrophobicContact SD-SD 3.54Å |
| 1680 | Q | 64.2 | Low | 70.4 | Confident | 122 Ų | 122 | 87.1 Ų | 87.1 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.3 | -29.8 | 170.2 | -75.5 | -178.2 | -43.7 | 0 | 0 | 113 | I1676 | I1676-Q1680 HydrophobicContact CG2-CG 4.48Å; I1676-Q1680 WeakPolarHBondContact O-CG 3.19Å; I1676-Q1680 PolarHBondContact O-N 3.17Å |
| 1681 | R | 57.7 | Low | 70.7 | Confident | 210 Ų | 210 | 86 Ų | 86 | 79% | 0.792 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -85.8 | -21 | 179.1 | -77.6 | -174.3 | -94 | -162.4 | -7.6 | 114.3 | G1677 R1678 M1679 | G1677-R1681 PolarHBondContact O-NE 2.72Å; G1677-R1681 PolarHBondContact O-NH2 3.22Å; R1678-R1681 WeakPolarHBondContact O-CA 3.34Å; R1678-R1681 WeakPolarHBondContact O-CB 3.31Å; R1678-R1681 PolarHBondContact O-N 2.78Å; M1679-R1681 PolarHBondContact O-N 2.81Å |
| 1682 | Q | 61.8 | Low | 71.3 | Confident | 138 Ų | 138 | 87.6 Ų | 87.6 | 65% | 0.645 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -102.9 | -4.2 | -177.1 | -70.7 | -180 | -30.2 | 0 | 0 | 113 | R1678 M1679 T1684 | R1678-Q1682 WeakPolarHBondContact O-CG 3.35Å; R1678-Q1682 PolarHBondContact O-N 2.94Å; M1679-Q1682 PolarHBondContact O-N 2.83Å; Q1682-T1684 WeakPolarHBondContact CB-OG1 3.33Å; Q1682-T1684 PolarHBondContact O-N 3.01Å; Q1682-T1684 VanDerWaalsContact O-N 3.15Å; Q1682-T1684 PolarHBondContact O-OG1 2.69Å |
| 1683 | G | 62.4 | Low | 72.1 | Confident | 42 Ų | 42 | 91.2 Ų | 91.2 | 43% | 0.433 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 23.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | M1679 P1685 | M1679-G1683 PolarHBondContact O-N 2.92Å; M1679-G1683 VanDerWaalsContact O-N 3.15Å; G1683-P1685 WeakPolarHBondContact O-CD 3.4Å |
| 1684 | T | 68.2 | Low | 72.6 | Confident | 80 Ų | 80 | 90.8 Ų | 90.8 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | trans | -90.5 | 112.6 | -173.1 | -28.6 | 0 | 0 | 0 | 0 | 110.5 | Q1682 | Q1682-T1684 WeakPolarHBondContact CB-OG1 3.33Å; Q1682-T1684 PolarHBondContact O-N 3.01Å; Q1682-T1684 VanDerWaalsContact O-N 3.15Å; Q1682-T1684 PolarHBondContact O-OG1 2.69Å | ||
| 1685 | P | 72.7 | Confident | 73.7 | Confident | 72 Ų | 72 | 86.3 Ų | 86.3 | 47% | 0.468 | 44% | 0.442 | S | S | . | . | trans | -71.2 | 144.5 | 178.8 | 26.9 | -31.7 | 0 | 0 | 0 | 111.8 | P1641 G1683 | P1641-P1685 HydrophobicContact CB-CB 4.16Å; P1641-P1685 HydrophobicContact CG-CB 3.75Å; G1683-P1685 WeakPolarHBondContact O-CD 3.4Å | ||
| 1686 | M | 75.2 | Confident | 74.6 | Confident | 49 Ų | 49 | 85.3 Ų | 85.3 | 24% | 0.241 | 44% | 0.444 | C | S | . | . | trans | -127 | 143.8 | 175.9 | -78.8 | -170.3 | -56.8 | 0 | 0 | 111.6 | N1626 I1637 P1641 L1672 M1679 L1688 | N1626-M1686 PolarHBondContact ND2-O 2.84Å; N1626-M1686 PolarHBondContact OD1-N 3.37Å; N1626-M1686 PolarHBondContact OD1-O 2.76Å; I1637-M1686 HydrophobicContact CD1-CE 4.48Å; P1641-M1686 WeakPolarHBondContact CD-O 3.4Å; L1672-M1686 HydrophobicContact CD2-CE 4.32Å; M1679-M1686 HydrophobicContact CE-CE 3.32Å; M1679-M1686 HydrophobicContact CE-SD 4.32Å; M1679-M1686 HydrophobicContact SD-CE 3.16Å; M1679-M1686 WeakPolarHBondContact SD-CE 3.23Å; M1679-M1686 HydrophobicContact SD-SD 3.54Å; M1686-L1688 HydrophobicContact CB-CG 4.48Å; M1686-L1688 HydrophobicContact CE-CD2 4.48Å | ||
| 1687 | D | 82.8 | Confident | 75.3 | Confident | 100 Ų | 100 | 91.3 Ų | 91.3 | 54% | 0.535 | 47% | 0.466 | S | S | . | . | trans | -95.8 | 112.2 | 166.2 | -169.4 | 11.7 | 0 | 0 | 0 | 109.3 | S1689 | D1687-S1689 WeakPolarHBondContact OD1-CB 3.37Å; D1687-S1689 PolarHBondContact OD1-N 3.04Å; D1687-S1689 VanDerWaalsContact OD1-N 3.16Å; D1687-S1689 PolarHBondContact OD1-OG 2.61Å; D1687-S1689 PolarHBondContact OD2-OG 2.61Å | ||
| 1688 | L | 80.7 | Confident | 76.3 | Confident | 14 Ų | 14 | 96.3 Ų | 96.3 | 7% | 0.073 | 48% | 0.481 | C | S | . | . | trans | -105.2 | 27.5 | 177.3 | -61.4 | 170.5 | 0 | 0 | 0 | 110.3 | I1637 M1639 T1664 L1672 M1686 N1690 S1691 | I1637-L1688 HydrophobicContact CB-CD1 4.25Å; I1637-L1688 HydrophobicContact CD1-CD1 3.91Å; I1637-L1688 HydrophobicContact CG1-CD1 3.95Å; I1637-L1688 HydrophobicContact CG2-CD1 3.32Å; M1639-L1688 WeakPolarHBondContact CE-O 3.39Å; M1639-L1688 CarbonylContact O-C 3.57Å; M1639-L1688 WeakPolarHBondContact O-CA 3.28Å; M1639-L1688 PolarHBondContact O-N 3.18Å; T1664-L1688 HydrophobicContact CG2-CD1 4.26Å; L1672-L1688 HydrophobicContact CD1-CD2 4.49Å; L1672-L1688 HydrophobicContact CD2-CD1 4Å; L1672-L1688 HydrophobicContact CD2-CD2 3.84Å; M1686-L1688 HydrophobicContact CB-CG 4.48Å; M1686-L1688 HydrophobicContact CE-CD2 4.48Å; L1688-N1690 PolarHBondContact O-N 2.86Å; L1688-S1691 WeakPolarHBondContact O-CB 3.47Å; L1688-S1691 PolarHBondContact O-N 2.85Å | ||
| 1689 | S | 78.7 | Confident | 77.3 | Confident | 47 Ų | 47 | 88.4 Ų | 88.4 | 33% | 0.329 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -24.8 | 174.8 | 49.1 | 0 | 0 | 0 | 0 | 113.7 | D1687 | D1687-S1689 WeakPolarHBondContact OD1-CB 3.37Å; D1687-S1689 PolarHBondContact OD1-N 3.04Å; D1687-S1689 VanDerWaalsContact OD1-N 3.16Å; D1687-S1689 PolarHBondContact OD1-OG 2.61Å; D1687-S1689 PolarHBondContact OD2-OG 2.61Å |
| 1690 | N | 78.8 | Confident | 78.4 | Confident | 164 Ų | 164 | 90.9 Ų | 90.9 | 88% | 0.877 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -3 | 175.5 | -65.8 | -18.3 | 0 | 0 | 0 | 114.2 | L1688 | L1688-N1690 PolarHBondContact O-N 2.86Š|
| 1691 | S | 75.7 | Confident | 79.6 | Confident | 42 Ų | 42 | 85.2 Ų | 85.2 | 29% | 0.294 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -88.3 | 150.7 | 178.5 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | M1639 L1688 M1693 | M1639-S1691 WeakPolarHBondContact CE-O 3.19Å; L1688-S1691 WeakPolarHBondContact O-CB 3.47Å; L1688-S1691 PolarHBondContact O-N 2.85Å; S1691-M1693 PolarHBondContact O-N 3.26Å |
| 1692 | E | 82.3 | Confident | 81 | Confident | 172 Ų | 172 | 75.6 Ų | 75.6 | 80% | 0.804 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 123.5 | 179.1 | -164.6 | 178.1 | -175.2 | 0 | 0 | 110.9 | T1664 S1694 | T1664-E1692 VanDerWaalsContact CB-O 3.28Å; T1664-E1692 WeakPolarHBondContact CB-O 3.03Å; T1664-E1692 PolarHBondContact OG1-O 3.46Å; E1692-S1694 PolarHBondContact O-N 2.04Å |
| 1693 | M | 89.2 | Confident | 82 | Confident | 113 Ų | 113 | 76.6 Ų | 76.6 | 56% | 0.557 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 125.7 | -179.9 | -176.8 | 178.1 | 63.8 | 0 | 0 | 110.3 | M1639 P1662 S1691 | M1639-M1693 HydrophobicContact SD-CB 3.72Å; M1639-M1693 HydrophobicContact SD-CG 3.95Å; P1662-M1693 HydrophobicContact CB-CG 4.2Å; P1662-M1693 HydrophobicContact CB-SD 3.84Å; S1691-M1693 PolarHBondContact O-N 3.26Å |
| 1694 | S | 87.4 | Confident | 82.9 | Confident | 59 Ų | 59 | 78.1 Ų | 78.1 | 41% | 0.413 | 40% | 0.399 | S | S | . | . | trans | -93.6 | -39.1 | 179.2 | -61.1 | 0 | 0 | 0 | 0 | 113.2 | Y1663 C1665 E1692 | Y1663-S1694 WeakPolarHBondContact O-CB 3.49Å; Y1663-S1694 PolarHBondContact O-N 2.95Å; C1665-S1694 WeakPolarHBondContact CB-OG 3.03Å; C1665-S1694 PolarHBondContact N-OG 2.96Å; C1665-S1694 WeakPolarHBondContact SG-CB 3.29Å; E1692-S1694 PolarHBondContact O-N 2.04Å | ||
| 1695 | F | 91.5 | Very high | 83.7 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 25% | 0.254 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.7 | 168.2 | 173.2 | 59.5 | -91.5 | 0 | 0 | 0 | 111.1 | I1629 C1636 Y1663 C1665 R1697 | I1629-F1695 HydrophobicContact CD1-CE2 3.71Å; I1629-F1695 HydrophobicContact CD1-CZ 3.51Å; I1629-F1695 HydrophobicContact CG1-CZ 4.31Å; C1636-F1695 HydrophobicContact CB-CE1 4.08Å; C1636-F1695 HydrophobicContact CB-CZ 4.16Å; Y1663-F1695 HydrophobicContact CD2-CD2 4.42Å; Y1663-F1695 AromaticContact CD2-CE2 3.89Å; Y1663-F1695 HydrophobicContact CD2-CE2 3.89Å; Y1663-F1695 HydrophobicContact CG-CE2 4.01Å; Y1663-F1695 HydrophobicContact CG-CZ 4.2Å; Y1663-F1695 PolarHBondContact N-O 3.16Å; Y1663-F1695 PolarHBondContact O-N 2.98Å; C1665-F1695 VanDerWaalsContact SG-CE1 3.53Å; F1695-R1697 HydrophobicContact CD2-CB 4.33Å; F1695-R1697 HydrophobicContact CE2-CB 4.19Å |
| 1696 | T | 89.6 | Confident | 84 | Confident | 73 Ų | 73 | 72.8 Ų | 72.8 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142 | 172.7 | -48.5 | 0 | 0 | 0 | 0 | 109.8 | E1660 | E1660-T1696 HydrophobicContact CB-CG2 3.98Å |
| 1697 | R | 86.8 | Confident | 83.7 | Confident | 129 Ų | 129 | 71.4 Ų | 71.4 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 138.5 | 179 | -173.5 | -179.2 | 178.5 | 179.5 | 2 | 110.3 | V1661 Y1663 F1695 E1699 | V1661-R1697 PolarHBondContact N-O 3.16Å; V1661-R1697 PolarHBondContact O-N 2.79Å; Y1663-R1697 HydrophobicContact CD2-CB 4.21Å; Y1663-R1697 HydrophobicContact CE2-CB 4.01Å; F1695-R1697 HydrophobicContact CD2-CB 4.33Å; F1695-R1697 HydrophobicContact CE2-CB 4.19Å; R1697-E1699 IonicContact NE-OE1 3.97Å; R1697-E1699 PolarHBondContact O-N 2.9Å |
| 1698 | K | 88.3 | Confident | 82.4 | Confident | 130 Ų | 130 | 71.4 Ų | 71.4 | 57% | 0.565 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 125.6 | 169.1 | -71.2 | -173.1 | 174.5 | -167.6 | 0 | 110.1 | E1658 E1660 | E1658-K1698 IonicContact OE2-NZ 3.92Å; E1660-K1698 HydrophobicContact CG-CG 4.21Å |
| 1699 | E | 86.8 | Confident | 81 | Confident | 11 Ų | 11 | 77.8 Ų | 77.8 | 5% | 0.051 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.5 | 179.7 | -66.9 | -67.1 | -177.1 | 0 | 0 | 110.6 | K1627 K1659 V1661 Y1663 R1697 | K1627-E1699 WeakPolarHBondContact CE-OE2 3.1Å; K1627-E1699 IonicContact NZ-OE1 2.9Å; K1627-E1699 IonicContact NZ-OE2 2.79Å; K1627-E1699 PolarHBondContact NZ-OE2 2.86Å; K1659-E1699 PolarHBondContact N-O 3.45Å; K1659-E1699 PolarHBondContact O-N 3.3Å; V1661-E1699 HydrophobicContact CB-CB 4.38Å; V1661-E1699 HydrophobicContact CB-CG 3.82Å; V1661-E1699 HydrophobicContact CG2-CB 3.69Å; V1661-E1699 HydrophobicContact CG2-CG 3.68Å; Y1663-E1699 HydrophobicContact CE2-CG 4.29Å; Y1663-E1699 PolarHBondContact OH-OE1 3.42Å; R1697-E1699 IonicContact NE-OE1 3.97Å; R1697-E1699 PolarHBondContact O-N 2.9Å |
| 1700 | T | 85.3 | Confident | 81.1 | Confident | 83 Ų | 83 | 79.3 Ų | 79.3 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 117.7 | 172 | -44.5 | 0 | 0 | 0 | 0 | 109.5 | K1656 E1657 | K1656-T1700 HydrophobicContact CB-CG2 3.82Å; K1656-T1700 HydrophobicContact CD-CG2 4.01Å; K1656-T1700 HydrophobicContact CG-CG2 4.12Å; E1657-T1700 CarbonylContact O-C 3.58Å; E1657-T1700 WeakPolarHBondContact O-CA 3.38Å |
| 1701 | V | 89.1 | Confident | 81.2 | Confident | 3 Ų | 3 | 74.8 Ų | 74.8 | 2% | 0.018 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 145.9 | 178.7 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | I1642 E1643 K1656 E1657 K1659 | I1642-V1701 HydrophobicContact CB-CG1 4.33Å; I1642-V1701 HydrophobicContact CD1-CG1 4.48Å; E1643-V1701 HydrophobicContact CB-CB 4.29Å; K1656-V1701 WeakPolarHBondContact CA-O 3.45Å; E1657-V1701 HydrophobicContact CB-CG2 4.13Å; E1657-V1701 PolarHBondContact N-O 2.91Å; E1657-V1701 WeakPolarHBondContact O-CG2 3.13Å; E1657-V1701 PolarHBondContact O-N 2.88Å; K1659-V1701 HydrophobicContact CB-CG2 4.47Å; K1659-V1701 HydrophobicContact CD-CG2 3.7Å; K1659-V1701 HydrophobicContact CG-CG2 3.87Å |
| 1702 | P | 88.2 | Confident | 81.5 | Confident | 9 Ų | 9 | 76.7 Ų | 76.7 | 6% | 0.058 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 133.4 | 177.5 | 31.5 | -31.7 | 0 | 0 | 0 | 111.7 | E1643 T1651 E1655 | E1643-P1702 WeakPolarHBondContact O-CD 3.31Å; T1651-P1702 HydrophobicContact CG2-CB 3.6Å; E1655-P1702 WeakPolarHBondContact O-CA 3.3Å |
| 1703 | R | 82.4 | Confident | 81.4 | Confident | 159 Ų | 159 | 71.1 Ų | 71.1 | 60% | 0.6 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -79.2 | -29.7 | 166 | -80.7 | -175 | 165.4 | -166.5 | -4.9 | 112.4 | E1655 E1657 | E1655-R1703 HydrophobicContact CB-CB 4.03Å; E1655-R1703 PolarHBondContact O-N 2.81Å; E1655-R1703 WeakPolarHBondContact OE2-CB 3.4Å; E1657-R1703 HydrophobicContact CB-CG 4.4Å; E1657-R1703 IonicContact OE2-CZ 3.39Å; E1657-R1703 IonicContact OE2-NE 3.67Å; E1657-R1703 PolarHBondContact OE2-NE 3.45Å; E1657-R1703 IonicContact OE2-NH2 2.99Å; E1657-R1703 PolarHBondContact OE2-NH2 3.42Å |
| 1704 | K | 80.2 | Confident | 81 | Confident | 73 Ų | 73 | 68.4 Ų | 68.4 | 32% | 0.317 | 34% | 0.342 | S | S | . | . | trans | -149.3 | 140.6 | -174.2 | -161.8 | 172.2 | -179 | 178.6 | 0 | 111.7 | E1619 A1652 E1655 | E1619-K1704 VanDerWaalsContact CD-NZ 3.26Å; E1619-K1704 WeakPolarHBondContact OE1-CE 3.3Å; E1619-K1704 IonicContact OE1-NZ 3.67Å; E1619-K1704 PolarHBondContact OE1-NZ 2.89Å; E1619-K1704 WeakPolarHBondContact OE2-CE 3.37Å; E1619-K1704 IonicContact OE2-NZ 3.94Å; E1619-K1704 PolarHBondContact OE2-NZ 3.37Å; A1652-K1704 HydrophobicContact CB-CB 4.17Å; A1652-K1704 HydrophobicContact CB-CG 4.43Å; A1652-K1704 PolarHBondContact N-O 3.32Å; E1655-K1704 HydrophobicContact CB-CB 3.74Å; E1655-K1704 HydrophobicContact CG-CB 3.73Å; E1655-K1704 HydrophobicContact CG-CD 4.31Å | ||
| 1705 | C | 85.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 149.7 | 179.8 | -58.8 | 0 | 0 | 0 | 0 | 112 | E1619 T1620 C1645 Y1650 | E1619-C1705 WeakPolarHBondContact CA-O 3.35Å; T1620-C1705 PolarHBondContact N-O 2.8Å; T1620-C1705 VanDerWaalsContact O-CB 3.32Å; T1620-C1705 WeakPolarHBondContact O-CB 3.49Å; T1620-C1705 PolarHBondContact O-N 3.04Å; C1645-C1705 WeakPolarHBondContact CA-SG 3.08Å; C1645-C1705 HydrophobicContact CB-CB 3.7Å; C1645-C1705 WeakPolarHBondContact CB-SG 3.12Å; C1645-C1705 WeakPolarHBondContact SG-CB 3.19Å; C1645-C1705 CovalentContact SG-SG 2.04Å; C1645-C1705 PolarHBondContact SG-SG 2.77Å; Y1650-C1705 CarbonylContact O-C 3.54Å; Y1650-C1705 VanDerWaalsContact O-CA 3.29Å; Y1650-C1705 WeakPolarHBondContact O-CA 3.29Å |
| 1706 | I | 79.8 | Confident | 79.7 | Confident | 41 Ų | 41 | 69.9 Ų | 69.9 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.3 | -179.1 | -2.1 | 164.7 | 0 | 0 | 0 | 109.8 | L1617 T1618 G1649 Y1650 A1652 | L1617-I1706 HydrophobicContact CB-CG2 3.81Å; L1617-I1706 HydrophobicContact CD2-CG2 4.49Å; T1618-I1706 WeakPolarHBondContact O-CA 3.47Å; G1649-I1706 CarbonylContact C-O 3.5Å; G1649-I1706 WeakPolarHBondContact CA-O 3.04Å; Y1650-I1706 PolarHBondContact N-O 2.83Å; Y1650-I1706 PolarHBondContact O-N 2.96Å; A1652-I1706 HydrophobicContact CB-CD1 3.81Å; A1652-I1706 HydrophobicContact CB-CG1 3.78Å |
| 1707 | S | 69.3 | Low | 79 | Confident | 19 Ų | 19 | 69.6 Ų | 69.6 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 150.2 | 174.6 | 75.3 | 0 | 0 | 0 | 0 | 112.2 | L1617 T1618 H1648 | L1617-S1707 CarbonylContact C-O 3.51Å; L1617-S1707 WeakPolarHBondContact CA-O 3.41Å; T1618-S1707 PolarHBondContact N-O 2.82Å; T1618-S1707 PolarHBondContact O-N 3.47Å; T1618-S1707 PolarHBondContact OG1-O 2.87Å; T1618-S1707 PolarHBondContact OG1-OG 2.91Å; H1648-S1707 WeakPolarHBondContact O-CA 3.34Å; H1648-S1707 WeakPolarHBondContact O-CB 3.46Å |
| 1708 | I | 54.3 | Low | 78.3 | Confident | 100 Ų | 100 | 64.7 Ų | 64.7 | 51% | 0.513 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 126 | 173 | -59.8 | 171.1 | 0 | 0 | 0 | 108.1 | V1616 L1617 Y1650 | V1616-I1708 HydrophobicContact CG1-CG2 4.09Å; V1616-I1708 WeakPolarHBondContact O-CA 3.49Å; L1617-I1708 HydrophobicContact CD2-CG1 3.87Å; Y1650-I1708 HydrophobicContact CE2-CD1 4.1Å; Y1650-I1708 HydrophobicContact CE2-CG1 4.26Å |
| 1709 | V | 51.2 | Low | 77.4 | Confident | 148 Ų | 148 | 58.7 Ų | 58.7 | 90% | 0.897 | 30% | 0.301 | S | S | * | . | trans | -80.3 | 0 | 179.9 | -177.4 | 0 | 0 | 0 | 0 | 112.8 | V1616 T1618 | V1616-V1709 PolarHBondContact O-N 2.99Å; V1616-V1709 VanDerWaalsContact O-N 3.09Å; T1618-V1709 HydrophobicContact CG2-CG2 3.53Å; T1618-V1709 WeakPolarHBondContact OG1-CG2 3.49Å |
Retrieved 1,709 of 1,709 residues in 536.2 ms
(Link to these results)